data_5ggm_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 5ggm _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 ' 3' ' ' GLN . . . . . . . . . . . . . 34.8 tp60 . . . . . 0 C--O 1.231 0.123 0 CA-C-O 120.827 0.346 . . . . 23.46 110.538 . . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 1.1 tp -76.34 126.99 31.99 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.187 -0.461 . . . . 14.38 110.605 -179.973 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -74.51 148.63 40.78 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.193 -0.458 . . . . 7.34 110.546 179.963 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 24.1 mt-10 -52.87 -43.55 66.19 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.196 -0.457 . . . . 7.12 110.634 -179.975 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 1.2 tm-20 -51.42 -27.49 10.27 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.216 -0.447 . . . . 6.85 110.552 179.962 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 16.4 mt-30 -87.94 -43.85 11.46 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.237 -0.438 . . . . 15.1 110.575 -179.985 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 9' ' ' ILE . . . . . 0.42 HG22 HD11 ' A' ' 9' ' ' ILE . 97.6 mt -59.0 -30.66 43.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.134 -0.485 . . . . 4.72 110.638 179.953 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -70.55 -59.45 2.83 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.212 -0.449 . . . . 6.68 110.516 -179.983 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 12.6 tt0 -44.07 -40.86 5.15 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.211 -0.45 . . . . 18.49 110.601 -179.995 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 8.0 m-85 -57.75 -42.64 84.35 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.207 -0.452 . . . . 14.89 110.556 -179.988 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 8.8 ttmm -52.01 -40.19 60.64 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.193 -0.458 . . . . 18.39 110.592 179.998 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 1.1 tp10 -59.46 -39.65 84.36 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.188 -0.46 . . . . 22.76 110.576 179.984 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -61.83 -45.28 94.52 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.166 -0.47 . . . . 5.67 110.568 179.968 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 16' ' ' PHE . . . . . 0.465 ' O ' ' N ' ' A' ' 19' ' ' PHE . 4.0 t80 -54.48 -60.16 3.72 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.28 -0.418 . . . . 13.28 110.548 -179.988 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 1.3 m -47.39 -21.74 0.35 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.21 -0.45 . . . . 12.16 110.526 179.994 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 11.9 tp -86.75 -29.13 22.6 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.195 -0.457 . . . . 17.89 110.536 -179.989 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 19' ' ' PHE . . . . . 0.465 ' N ' ' O ' ' A' ' 16' ' ' PHE . 25.1 m-85 -90.07 -50.39 6.03 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.248 -0.433 . . . . 9.14 110.554 -180.0 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 20' ' ' ASP . . . . . 0.454 ' HB2' ' CE2' ' A' ' 16' ' ' PHE . 8.7 t0 -91.91 86.94 6.03 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.26 -0.427 . . . . 7.47 110.558 179.967 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 21' ' ' LYS . . . . . 0.66 ' CB ' ' HZ3' ' A' ' 21' ' ' LYS . 0.3 OUTLIER -74.95 -19.62 60.03 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.15 -0.477 . . . . 27.75 110.697 -179.892 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 22' ' ' ASP . . . . . 0.557 ' OD1' ' OE2' ' A' ' 31' ' ' GLU . 4.7 m-20 -82.17 -15.46 53.18 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.264 -0.425 . . . . 14.13 110.718 -179.869 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 59.6 37.47 92.3 Favored Glycine 0 CA--C 1.525 0.711 0 N-CA-C 110.985 -0.846 . . . . 11.51 110.985 179.981 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 72.0 m-20 -81.71 -27.48 33.9 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.768 0.318 . . . . 14.28 110.607 -179.993 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 105.23 4.42 41.09 Favored Glycine 0 CA--C 1.524 0.644 0 N-CA-C 110.949 -0.86 . . . . 9.47 110.949 -179.996 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 35.0 p -148.7 138.13 21.87 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.823 0.344 . . . . 16.41 110.572 179.994 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 27' ' ' ILE . . . . . 0.479 HG22 HD12 ' A' ' 27' ' ' ILE . 7.4 mm -91.36 122.29 42.63 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.152 -0.476 . . . . 8.03 110.604 -179.99 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 63.1 p -105.63 172.59 6.72 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.225 -0.443 . . . . 7.8 110.574 -179.946 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 22.2 p -73.63 -37.6 65.31 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.212 -0.449 . . . . 10.04 110.618 179.987 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 30' ' ' LYS . . . . . 0.561 ' O ' ' OG1' ' A' ' 34' ' ' THR . 17.7 ttpp -58.27 -34.74 70.84 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.203 -0.453 . . . . 16.38 110.55 -179.973 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 31' ' ' GLU . . . . . 0.557 ' OE2' ' OD1' ' A' ' 22' ' ' ASP . 2.1 mm-40 -85.42 -34.68 21.65 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.24 -0.436 . . . . 5.59 110.555 179.981 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 15.6 tp -62.48 -55.89 23.32 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.126 -0.488 . . . . 7.72 110.626 -179.977 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 33' ' ' GLY . . . . . 0.523 ' O ' ' N ' ' A' ' 37' ' ' ARG . . . -57.31 -48.54 79.59 Favored Glycine 0 CA--C 1.525 0.675 0 N-CA-C 110.921 -0.872 . . . . 6.93 110.921 179.979 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 34' ' ' THR . . . . . 0.561 ' OG1' ' O ' ' A' ' 30' ' ' LYS . 0.1 OUTLIER -52.68 -38.64 60.9 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.808 0.337 . . . . 9.63 110.585 179.996 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 73.4 t -71.45 -42.23 73.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.218 -0.447 . . . . 7.07 110.609 -179.97 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 36' ' ' MET . . . . . . . . . . . . . 9.3 mmt -77.77 -24.1 49.04 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.224 -0.443 . . . . 10.12 110.628 179.957 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 37' ' ' ARG . . . . . 0.523 ' N ' ' O ' ' A' ' 33' ' ' GLY . 49.9 ttm-85 -66.66 -33.53 75.85 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.202 -0.454 . . . . 9.87 110.576 -179.992 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 5.1 t -84.61 -12.85 53.2 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.161 -0.472 . . . . 8.15 110.54 -179.98 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 16.3 mt -79.8 4.97 14.81 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.184 -0.462 . . . . 12.78 110.589 -179.998 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 86.59 9.41 75.28 Favored Glycine 0 CA--C 1.525 0.696 0 N-CA-C 110.91 -0.876 . . . . 9.6 110.91 179.985 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 21.0 tt0 -101.56 146.7 27.33 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 120.817 0.341 . . . . 20.35 110.665 179.998 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 7.8 t-20 -126.81 80.04 71.35 Favored Pre-proline 0 C--N 1.329 -0.288 0 CA-C-N 116.137 -0.483 . . . . 10.22 110.504 -179.977 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 61.1 Cg_endo -78.32 146.91 22.59 Favored 'Trans proline' 0 C--N 1.305 -1.711 0 C-N-CA 122.819 2.346 . . . . 8.63 112.311 -179.9 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 23.1 p -78.87 168.66 19.39 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.095 -0.502 . . . . 4.83 110.456 179.916 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 3.2 mm-40 -65.94 -36.98 84.85 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.238 -0.437 . . . . 16.78 110.553 -179.987 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -70.23 -24.85 63.16 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.162 -0.472 . . . . 4.8 110.613 179.995 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 47' ' ' GLU . . . . . 0.56 ' O ' ' N ' ' A' ' 51' ' ' MET . 3.9 tt0 -79.73 -58.23 3.28 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.141 -0.482 . . . . 6.18 110.546 179.989 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -50.51 -54.78 19.68 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.21 -0.45 . . . . 6.65 110.537 179.961 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 28.5 mm-40 -58.74 -50.67 73.04 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.212 -0.449 . . . . 7.05 110.508 -179.997 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 50' ' ' ASP . . . . . 0.527 ' OD1' ' O ' ' A' ' 50' ' ' ASP . 38.0 t0 -67.21 -25.13 65.96 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.221 -0.445 . . . . 6.72 110.526 179.955 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 51' ' ' MET . . . . . 0.56 ' N ' ' O ' ' A' ' 47' ' ' GLU . 7.1 tpt -63.78 -50.31 69.51 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.2 -0.454 . . . . 13.6 110.567 179.983 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 52' ' ' ILE . . . . . 0.438 HG21 ' N ' ' A' ' 53' ' ' ASN . 6.5 tt -52.53 -36.94 22.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.232 -0.44 . . . . 8.71 110.483 179.949 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 53' ' ' ASN . . . . . 0.438 ' N ' HG21 ' A' ' 52' ' ' ILE . 53.5 t30 -51.77 -45.11 63.63 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.195 -0.457 . . . . 9.04 110.469 179.907 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 39.1 mt-10 -51.12 -45.62 61.65 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.23 -0.441 . . . . 23.58 110.512 -179.971 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 55' ' ' VAL . . . . . 0.537 ' O ' ' CD ' ' A' ' 67' ' ' GLU . 42.1 t -87.54 -11.05 10.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.229 -0.441 . . . . 7.6 110.532 179.959 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 56' ' ' ASP . . . . . 0.547 ' OD1' ' OD1' ' A' ' 60' ' ' ASP . 10.7 t0 -107.59 90.94 3.45 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.249 -0.432 . . . . 12.55 110.577 179.998 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -80.57 -32.4 36.6 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.166 -0.47 . . . . 15.13 110.563 -179.999 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 2.7 m-20 -80.7 -9.19 59.81 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.231 -0.44 . . . . 14.32 110.563 180.0 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 55.47 38.48 70.31 Favored Glycine 0 CA--C 1.524 0.624 0 N-CA-C 110.954 -0.859 . . . . 13.64 110.954 -179.983 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 60' ' ' ASP . . . . . 0.547 ' OD1' ' OD1' ' A' ' 56' ' ' ASP . 0.1 OUTLIER -79.8 -23.17 42.3 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.787 0.327 . . . . 13.27 110.512 -179.994 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 105.7 -2.61 39.09 Favored Glycine 0 CA--C 1.525 0.68 0 N-CA-C 110.931 -0.868 . . . . 11.65 110.931 -179.982 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -143.75 175.09 10.25 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.765 0.317 . . . . 11.55 110.61 179.959 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 63' ' ' ILE . . . . . 0.434 HD13 HG21 ' A' ' 63' ' ' ILE . 48.9 mm -124.18 141.03 45.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.2 -0.455 . . . . 10.06 110.628 -179.913 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 64' ' ' ASP . . . . . 0.416 ' OD1' ' N ' ' A' ' 64' ' ' ASP . 24.6 p-10 -117.77 -172.68 2.29 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.184 -0.462 . . . . 11.33 110.439 179.893 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 65' ' ' PHE . . . . . 0.427 ' CB ' ' HD3' ' A' ' 66' ' ' PRO . 0.2 OUTLIER -67.48 -53.87 21.08 Favored Pre-proline 0 C--N 1.331 -0.225 0 CA-C-N 116.528 -0.306 . . . . 7.4 110.836 -179.605 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 66' ' ' PRO . . . . . 0.543 ' O ' ' OG1' ' A' ' 70' ' ' THR . 44.8 Cg_exo -51.33 -40.91 61.07 Favored 'Trans proline' 0 C--N 1.309 -1.55 0 C-N-CA 122.506 2.137 . . . . 6.66 112.059 179.919 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 67' ' ' GLU . . . . . 0.537 ' CD ' ' O ' ' A' ' 55' ' ' VAL . 16.2 tt0 -83.73 -29.99 27.07 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.054 -0.521 . . . . 7.44 110.747 -179.824 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 68' ' ' PHE . . . . . . . . . . . . . 31.6 t80 -64.92 -36.31 83.97 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.265 -0.425 . . . . 8.58 110.653 -179.927 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 6.5 mp -83.47 -44.36 14.81 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.364 -0.38 . . . . 9.43 110.323 179.617 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 70' ' ' THR . . . . . 0.543 ' OG1' ' O ' ' A' ' 66' ' ' PRO . 35.0 m -51.89 -46.04 64.4 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.115 -0.493 . . . . 7.53 110.489 179.992 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 71' ' ' MET . . . . . 0.62 ' C ' ' SD ' ' A' ' 71' ' ' MET . 0.1 OUTLIER -53.44 -46.8 70.0 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.157 -0.474 . . . . 11.86 110.597 179.889 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 72' ' ' MET . . . . . 0.485 ' N ' ' SD ' ' A' ' 71' ' ' MET . 79.0 mmm -74.95 -49.69 19.23 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.148 -0.478 . . . . 22.32 110.583 -179.999 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -57.59 -46.14 84.38 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.206 -0.452 . . . . 9.15 110.606 -179.901 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 74' ' ' ARG . . . . . 0.526 ' O ' ' N ' ' A' ' 77' ' ' LYS . 27.7 mtm180 -45.33 -52.56 9.65 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.262 -0.426 . . . . 13.8 110.594 -179.966 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 42.6 mttm -45.41 -40.29 7.96 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.226 -0.443 . . . . 25.18 110.583 179.96 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 76' ' ' MET . . . . . . . . . . . . . 20.9 mmm -72.18 -18.72 61.84 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.18 -0.463 . . . . 34.79 110.631 -179.991 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 77' ' ' LYS . . . . . 0.535 ' O ' ' OD2' ' A' ' 78' ' ' ASP . 13.9 mmmt -113.07 39.99 2.43 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.199 -0.455 . . . . 37.65 110.625 179.986 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 78' ' ' ASP . . . . . 0.535 ' OD2' ' O ' ' A' ' 77' ' ' LYS . 50.2 m-20 -170.31 -177.3 2.43 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.216 -0.447 . . . . 42.58 110.591 -180.0 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -72.24 161.79 30.36 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.213 -0.449 . . . . 38.4 110.611 179.996 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 32.0 t70 -128.75 152.27 48.62 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.228 -0.442 . . . . 37.51 110.598 179.95 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 81' ' ' SER . . . . . 0.411 ' C ' ' H ' ' A' ' 83' ' ' GLU . 0.8 OUTLIER -114.83 118.21 32.9 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.193 -0.458 . . . . 33.12 110.584 -179.999 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 5.0 mt-10 -56.33 -10.45 0.91 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.268 -0.424 . . . . 34.28 110.567 179.987 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 83' ' ' GLU . . . . . 0.411 ' H ' ' C ' ' A' ' 81' ' ' SER . 15.6 tt0 -66.16 -42.3 89.17 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.238 -0.437 . . . . 30.91 110.538 179.99 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 13.6 tp10 -67.51 -34.55 77.36 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.207 -0.451 . . . . 22.86 110.571 179.977 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 85' ' ' ILE . . . . . . . . . . . . . 10.3 mt -72.08 -21.48 20.66 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.233 -0.439 . . . . 19.17 110.635 179.993 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 45.6 mtt180 -79.4 -55.57 4.96 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.167 -0.469 . . . . 26.85 110.565 179.97 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 87' ' ' GLU . . . . . 0.609 ' O ' ' N ' ' A' ' 91' ' ' VAL . 0.3 OUTLIER -56.41 -61.39 2.44 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.22 -0.445 . . . . 16.48 110.56 -179.962 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -46.11 -49.31 16.77 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.227 -0.442 . . . . 9.91 110.602 -179.951 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 89' ' ' PHE . . . . . 0.678 ' CD2' ' CZ ' ' A' ' 138' ' ' TYR . 24.7 t80 -63.62 -59.12 5.02 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.18 -0.463 . . . . 8.53 110.537 179.958 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 61.7 ttt-85 -63.58 -18.49 63.94 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.157 -0.474 . . . . 17.58 110.614 180.0 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 91' ' ' VAL . . . . . 0.609 ' N ' ' O ' ' A' ' 87' ' ' GLU . 7.1 t -69.89 -20.84 23.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.164 -0.471 . . . . 7.82 110.7 -179.972 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 92' ' ' PHE . . . . . 0.444 ' CD1' HG13 ' A' ' 108' ' ' VAL . 12.1 m-85 -95.43 -31.67 13.27 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.29 -0.414 . . . . 9.11 110.672 -179.883 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 93' ' ' ASP . . . . . 0.491 ' OD2' ' N ' ' A' ' 97' ' ' ASN . 15.6 t70 -82.77 68.73 9.36 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.269 -0.423 . . . . 11.11 110.719 -179.829 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 17.4 tttt -45.79 -18.28 0.04 OUTLIER 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.141 -0.481 . . . . 14.57 111.215 -179.742 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 95' ' ' ASP . . . . . 0.534 ' OD1' ' OE2' ' A' ' 104' ' ' GLU . 0.0 OUTLIER -75.09 -8.71 57.31 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-O 120.898 0.38 . . . . 10.2 110.653 -179.764 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 60.2 9.53 11.87 Favored Glycine 0 CA--C 1.525 0.684 0 N-CA-C 110.855 -0.898 . . . . 6.24 110.855 -179.894 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 97' ' ' ASN . . . . . 0.54 ' ND2' ' O ' ' A' ' 97' ' ' ASN . 1.7 t-20 -83.7 -20.04 34.19 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.854 0.359 . . . . 7.56 110.368 179.871 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . 82.99 30.04 32.7 Favored Glycine 0 CA--C 1.525 0.687 0 N-CA-C 111.092 -0.803 . . . . 7.08 111.092 179.844 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 99' ' ' TYR . . . . . 0.665 ' CE2' ' OD1' ' A' ' 137' ' ' ASN . 28.9 m-85 -130.78 134.82 47.19 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.826 0.346 . . . . 9.0 110.622 179.889 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 100' ' ' ILE . . . . . 0.439 HG23 HD11 ' A' ' 100' ' ' ILE . 77.1 mt -122.23 99.31 6.77 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.257 0 CA-C-N 116.119 -0.491 . . . . 9.29 110.667 -179.987 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 101' ' ' SER . . . . . 0.492 ' O ' ' N ' ' A' ' 103' ' ' ALA . 41.7 m -88.44 151.69 22.39 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.247 -0.433 . . . . 7.02 110.595 -179.945 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -42.77 -20.75 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.124 -0.489 . . . . 6.41 110.641 -179.9 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 103' ' ' ALA . . . . . 0.492 ' N ' ' O ' ' A' ' 101' ' ' SER . . . -83.35 -60.05 2.26 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.26 -0.427 . . . . 5.01 110.647 179.97 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 104' ' ' GLU . . . . . 0.534 ' OE2' ' OD1' ' A' ' 95' ' ' ASP . 47.5 mt-10 -50.59 -48.2 57.78 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.205 -0.452 . . . . 6.84 110.574 179.968 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 105' ' ' LEU . . . . . . . . . . . . . 9.1 tp -53.79 -42.1 67.96 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.218 -0.446 . . . . 4.99 110.545 -179.952 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 106' ' ' ARG . . . . . 0.57 ' O ' ' OG1' ' A' ' 110' ' ' THR . 18.9 mtp-105 -71.25 -19.32 62.37 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.232 -0.44 . . . . 15.24 110.594 -179.988 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 107' ' ' HIS . . . . . . . . . . . . . 1.2 t60 -73.68 -46.34 47.0 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.212 -0.449 . . . . 15.69 110.678 -179.925 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 108' ' ' VAL . . . . . 0.444 HG13 ' CD1' ' A' ' 92' ' ' PHE . 58.4 t -81.61 -61.07 1.86 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.225 -0.443 . . . . 12.28 110.669 -179.876 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 109' ' ' MET . . . . . . . . . . . . . 20.6 mmm -47.57 -17.72 0.1 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.23 -0.441 . . . . 9.53 110.664 -179.789 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 110' ' ' THR . . . . . 0.57 ' OG1' ' O ' ' A' ' 106' ' ' ARG . 1.4 m -79.99 -43.94 21.11 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.334 -0.394 . . . . 11.87 110.729 -179.905 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 111' ' ' ASN . . . . . . . . . . . . . 9.5 m-20 -61.57 -16.28 46.52 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.401 -0.363 . . . . 21.65 110.709 -179.836 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 112' ' ' LEU . . . . . 0.414 ' N ' HD22 ' A' ' 112' ' ' LEU . 3.8 mm? -49.93 -34.3 20.17 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.33 -0.396 . . . . 19.55 110.562 -179.985 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . 115.64 9.95 12.02 Favored Glycine 0 CA--C 1.525 0.664 0 N-CA-C 110.732 -0.947 . . . . 19.66 110.732 -179.718 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 114' ' ' GLU . . . . . 0.505 ' O ' ' CD2' ' A' ' 116' ' ' LEU . 7.3 pt-20 -124.39 129.23 50.32 Favored 'General case' 0 C--N 1.329 -0.29 0 N-CA-C 110.194 -0.299 . . . . 25.55 110.194 179.602 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 25.3 mtmt -78.93 116.83 19.49 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.809 0.338 . . . . 23.26 110.74 -179.884 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 116' ' ' LEU . . . . . 0.505 ' CD2' ' O ' ' A' ' 114' ' ' GLU . 0.2 OUTLIER -107.84 159.02 16.83 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.182 -0.463 . . . . 23.07 110.467 179.936 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 117' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -97.77 148.66 23.15 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.176 -0.465 . . . . 19.41 110.559 -179.983 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 118' ' ' ASP . . . . . 0.512 ' OD2' ' NH1' ' A' ' 106' ' ' ARG . 0.0 OUTLIER -70.49 -38.64 74.37 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.216 -0.447 . . . . 18.08 110.576 179.989 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 119' ' ' GLU . . . . . 0.494 ' O ' ' CD ' ' A' ' 123' ' ' GLU . 31.9 mt-10 -57.15 -31.47 65.4 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.215 -0.448 . . . . 20.16 110.567 179.986 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 120' ' ' GLU . . . . . . . . . . . . . 61.2 mt-10 -80.06 -60.07 2.48 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.197 -0.456 . . . . 14.19 110.576 179.975 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 121' ' ' VAL . . . . . . . . . . . . . 64.3 t -51.27 -51.98 21.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.161 -0.472 . . . . 14.97 110.543 -179.968 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 122' ' ' ASP . . . . . . . . . . . . . 42.8 m-20 -54.87 -38.28 67.31 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.168 -0.469 . . . . 20.12 110.534 -179.976 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 123' ' ' GLU . . . . . 0.661 ' O ' ' N ' ' A' ' 127' ' ' GLU . 26.6 mt-10 -70.77 -50.25 37.97 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.224 -0.444 . . . . 15.72 110.562 179.982 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 124' ' ' MET . . . . . . . . . . . . . 0.2 OUTLIER -52.75 -61.21 2.44 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.155 -0.475 . . . . 9.75 110.561 -179.947 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 125' ' ' ILE . . . . . 0.512 ' CG2' ' N ' ' A' ' 126' ' ' ARG . 10.3 tt -55.52 -41.0 61.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.175 -0.466 . . . . 11.99 110.585 179.999 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 126' ' ' ARG . . . . . 0.512 ' N ' ' CG2' ' A' ' 125' ' ' ILE . 7.4 tmm_? -79.42 -19.31 50.3 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.201 -0.454 . . . . 27.23 110.592 -179.986 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 127' ' ' GLU . . . . . 0.661 ' N ' ' O ' ' A' ' 123' ' ' GLU . 6.7 mm-40 -85.17 -19.45 31.73 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.261 -0.427 . . . . 15.5 110.56 -179.969 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 128' ' ' ALA . . . . . . . . . . . . . . . -100.27 -31.13 11.51 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.238 -0.437 . . . . 10.5 110.591 179.948 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 129' ' ' ASP . . . . . 0.606 ' OD2' ' N ' ' A' ' 132' ' ' GLY . 30.3 t0 -60.82 94.81 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.154 -0.475 . . . . 10.86 110.601 -179.914 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 130' ' ' ILE . . . . . 0.632 ' H ' ' CD1' ' A' ' 130' ' ' ILE . 0.0 OUTLIER -48.46 -23.82 0.86 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.109 -0.496 . . . . 12.26 110.729 -179.733 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 131' ' ' ASP . . . . . 0.551 ' N ' ' OD2' ' A' ' 129' ' ' ASP . 0.0 OUTLIER -97.73 -18.13 19.0 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.397 -0.365 . . . . 7.79 110.596 179.972 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 132' ' ' GLY . . . . . 0.606 ' N ' ' OD2' ' A' ' 129' ' ' ASP . . . 62.0 55.57 27.37 Favored Glycine 0 CA--C 1.525 0.706 0 N-CA-C 110.833 -0.907 . . . . 3.93 110.833 -179.942 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 133' ' ' ASP . . . . . 0.481 ' H ' ' CG ' ' A' ' 129' ' ' ASP . 21.1 t0 -100.93 10.45 41.1 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.757 0.313 . . . . 9.56 110.64 -179.935 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 134' ' ' GLY . . . . . . . . . . . . . . . 72.18 -3.9 20.49 Favored Glycine 0 CA--C 1.525 0.669 0 N-CA-C 110.855 -0.898 . . . . 7.32 110.855 -179.944 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 135' ' ' GLN . . . . . 0.662 ' NE2' ' O ' ' A' ' 136' ' ' VAL . 1.5 tm0? -137.84 158.54 44.13 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.77 0.319 . . . . 22.05 110.39 179.931 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 136' ' ' VAL . . . . . 0.662 ' O ' ' NE2' ' A' ' 135' ' ' GLN . 13.6 t -108.04 134.27 50.39 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.283 -0.417 . . . . 10.34 110.626 -179.978 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 137' ' ' ASN . . . . . 0.665 ' OD1' ' CE2' ' A' ' 99' ' ' TYR . 33.9 m-20 -110.04 159.36 17.37 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.107 -0.497 . . . . 12.02 110.207 179.467 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 138' ' ' TYR . . . . . 0.678 ' CZ ' ' CD2' ' A' ' 89' ' ' PHE . 0.8 OUTLIER -54.69 -31.72 58.29 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.823 0.344 . . . . 8.75 110.396 179.864 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 139' ' ' GLU . . . . . . . . . . . . . 82.8 mt-10 -66.03 -42.56 89.44 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.157 -0.474 . . . . 22.33 110.501 179.879 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 140' ' ' GLU . . . . . . . . . . . . . 1.8 mt-10 -63.48 -38.92 92.97 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.151 -0.477 . . . . 13.45 110.375 179.96 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 141' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -50.05 -38.56 38.56 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.143 -0.481 . . . . 8.25 110.34 179.846 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 142' ' ' VAL . . . . . . . . . . . . . 88.7 t -73.52 -37.01 49.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.147 -0.479 . . . . 10.15 110.481 179.936 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 143' ' ' GLN . . . . . . . . . . . . . 17.9 mm100 -48.51 -54.87 12.68 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.178 -0.465 . . . . 8.24 110.492 179.986 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 144' ' ' MET . . . . . . . . . . . . . 31.4 ttp -49.1 -46.6 45.02 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.199 -0.455 . . . . 6.68 110.422 179.974 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 145' ' ' MET . . . . . . . . . . . . . 22.4 ttm . . . . . 0 C--N 1.329 -0.286 0 CA-C-N 116.141 -0.481 . . . . 13.37 110.518 179.902 . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 3' ' ' GLN . . . . . 0.426 ' CG ' ' H ' ' A' ' 4' ' ' LEU . 3.6 pm0 . . . . . 0 C--O 1.231 0.122 0 CA-C-O 120.794 0.331 . . . . 23.46 110.587 . . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 4' ' ' LEU . . . . . 0.426 ' H ' ' CG ' ' A' ' 3' ' ' GLN . 1.5 tp -83.95 127.83 34.13 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.21 -0.45 . . . . 14.38 110.567 179.999 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 5' ' ' THR . . . . . 0.461 ' H ' ' HG1' ' A' ' 5' ' ' THR . 0.2 OUTLIER -66.38 148.57 51.68 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.197 -0.456 . . . . 7.34 110.604 179.995 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 86.9 mt-10 -51.72 -40.9 61.01 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.211 -0.45 . . . . 7.12 110.574 179.957 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 2.8 tp10 -51.49 -59.6 4.07 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.207 -0.451 . . . . 6.85 110.546 -179.964 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 6.6 mm100 -60.6 -47.01 88.1 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.175 -0.466 . . . . 15.1 110.56 -179.948 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 9' ' ' ILE . . . . . 0.412 HG21 HD12 ' A' ' 9' ' ' ILE . 96.5 mt -53.85 -29.51 18.18 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.213 -0.449 . . . . 4.72 110.594 -179.994 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -75.04 -59.29 2.8 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.177 -0.465 . . . . 6.68 110.569 -179.973 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -49.07 -28.04 3.82 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.207 -0.452 . . . . 18.49 110.596 179.986 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 12' ' ' PHE . . . . . 0.54 ' CG ' ' CD2' ' A' ' 69' ' ' LEU . 2.1 m-85 -68.38 -49.58 59.11 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.198 -0.455 . . . . 14.89 110.54 179.999 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 7.2 tttm -46.86 -26.69 1.03 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.186 -0.461 . . . . 18.39 110.565 179.983 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 63.7 mm-40 -66.86 -46.35 75.31 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.139 -0.482 . . . . 22.76 110.506 179.909 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -52.88 -28.01 21.2 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.144 -0.48 . . . . 5.67 110.558 179.963 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 16' ' ' PHE . . . . . 0.475 ' CE2' ' CB ' ' A' ' 20' ' ' ASP . 14.3 t80 -70.74 -60.12 2.43 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.19 -0.459 . . . . 13.28 110.525 179.981 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 2.5 m -46.36 -21.51 0.17 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.208 -0.451 . . . . 12.16 110.512 179.936 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 18' ' ' LEU . . . . . 0.405 ' N ' ' C ' ' A' ' 16' ' ' PHE . 1.7 mm? -70.86 -46.19 63.09 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.094 -0.503 . . . . 17.89 110.521 179.973 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 65.1 m-85 -90.01 -50.28 6.11 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.217 -0.447 . . . . 9.14 110.535 179.9 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 20' ' ' ASP . . . . . 0.507 ' OD2' ' CD1' ' A' ' 27' ' ' ILE . 6.1 t70 -69.03 68.46 0.17 Allowed 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.221 -0.445 . . . . 7.47 110.566 -179.966 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 3.8 tttm -75.14 -19.58 59.82 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.17 -0.468 . . . . 27.75 110.617 -179.946 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 2.8 m-20 -85.32 -15.23 44.02 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.285 -0.416 . . . . 14.13 110.648 -179.937 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 55.64 34.76 60.88 Favored Glycine 0 CA--C 1.524 0.648 0 N-CA-C 110.939 -0.864 . . . . 11.51 110.939 179.976 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -82.54 -25.8 33.04 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.756 0.312 . . . . 14.28 110.599 -179.986 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 105.18 -4.97 41.41 Favored Glycine 0 CA--C 1.523 0.59 0 N-CA-C 110.92 -0.872 . . . . 9.47 110.92 -179.974 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -141.79 152.55 43.84 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.755 0.312 . . . . 16.41 110.52 -179.965 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 27' ' ' ILE . . . . . 0.507 ' CD1' ' OD2' ' A' ' 20' ' ' ASP . 4.6 mm -120.24 127.71 75.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.239 -0.437 . . . . 8.03 110.547 -179.942 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 28' ' ' THR . . . . . 0.731 ' HG1' ' N ' ' A' ' 29' ' ' THR . 0.1 OUTLIER -111.05 171.21 7.6 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.168 -0.469 . . . . 7.8 110.556 179.944 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 29' ' ' THR . . . . . 0.731 ' N ' ' HG1' ' A' ' 28' ' ' THR . 0.5 OUTLIER -67.59 -16.2 64.05 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.241 -0.436 . . . . 10.04 110.577 179.985 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -77.11 -38.28 52.49 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.168 -0.469 . . . . 16.38 110.595 -179.976 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 51.9 mt-10 -81.33 -31.59 33.41 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.21 -0.45 . . . . 5.59 110.533 180.0 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 32' ' ' LEU . . . . . 0.482 ' CD1' ' C ' ' A' ' 32' ' ' LEU . 0.2 OUTLIER -63.87 -59.82 4.05 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.149 -0.478 . . . . 7.72 110.545 179.978 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -45.42 -49.74 10.82 Favored Glycine 0 CA--C 1.525 0.673 0 N-CA-C 110.894 -0.882 . . . . 6.93 110.894 179.982 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -46.41 -41.46 13.74 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.8 0.333 . . . . 9.63 110.537 -179.983 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 89.2 t -60.75 -46.15 96.54 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.199 -0.455 . . . . 7.07 110.481 179.98 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 36' ' ' MET . . . . . . . . . . . . . 21.9 mmt -60.64 -30.88 70.14 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.225 -0.443 . . . . 10.12 110.553 179.929 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 1.2 tpt85 -62.78 -24.02 67.52 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.157 -0.474 . . . . 9.87 110.501 179.978 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 1.3 m -82.09 -23.44 35.74 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.166 -0.47 . . . . 8.15 110.484 179.957 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 9.7 mt -91.8 14.69 14.69 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.207 -0.451 . . . . 12.78 110.516 179.953 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 64.39 26.95 71.05 Favored Glycine 0 CA--C 1.525 0.664 0 N-CA-C 110.916 -0.874 . . . . 9.6 110.916 179.982 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 12.3 mt-30 -101.45 155.27 18.16 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.824 0.345 . . . . 20.35 110.587 -179.968 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 5.0 m-20 -127.71 81.21 70.66 Favored Pre-proline 0 C--N 1.329 -0.315 0 CA-C-N 116.208 -0.451 . . . . 10.22 110.5 -179.993 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 59.5 Cg_endo -77.93 144.41 21.53 Favored 'Trans proline' 0 C--N 1.306 -1.665 0 C-N-CA 122.76 2.307 . . . . 8.63 112.245 -179.912 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 44' ' ' THR . . . . . 0.411 ' O ' ' N ' ' A' ' 47' ' ' GLU . 16.5 p -94.1 151.34 19.57 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.125 -0.489 . . . . 4.83 110.586 179.996 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 13.3 tt0 -46.65 -48.77 19.92 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.23 -0.441 . . . . 16.78 110.547 179.997 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -58.7 -18.96 35.63 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.199 -0.455 . . . . 4.8 110.531 179.972 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 47' ' ' GLU . . . . . 0.411 ' N ' ' O ' ' A' ' 44' ' ' THR . 0.3 OUTLIER -82.51 -57.27 3.42 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.211 -0.449 . . . . 6.18 110.554 179.997 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 17.9 mt -58.01 -54.94 41.32 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.177 -0.465 . . . . 6.65 110.564 179.973 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 35.2 tt0 -50.14 -44.38 52.4 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.222 -0.445 . . . . 7.05 110.557 179.981 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 12.6 t0 -74.27 -31.23 62.46 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.243 -0.435 . . . . 6.72 110.557 -179.997 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 51' ' ' MET . . . . . . . . . . . . . 13.8 tpt -66.65 -46.82 74.49 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.201 -0.454 . . . . 13.6 110.482 -179.993 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 38.5 mm -50.63 -48.18 27.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.195 -0.457 . . . . 8.71 110.523 179.997 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 2.9 t30 -50.54 -46.35 57.38 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.236 -0.438 . . . . 9.04 110.598 179.999 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 1.3 tt0 -51.2 -30.02 15.83 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.226 -0.443 . . . . 23.58 110.539 -179.919 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 59.7 t -95.0 -19.09 6.53 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.216 -0.447 . . . . 7.6 110.557 179.991 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 56' ' ' ASP . . . . . 0.568 ' OD1' ' O ' ' A' ' 62' ' ' THR . 0.5 OUTLIER -99.49 111.94 24.22 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.196 -0.456 . . . . 12.55 110.565 -179.986 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -80.97 -23.06 39.05 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.214 -0.448 . . . . 15.13 110.562 179.995 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 58' ' ' ASP . . . . . 0.611 ' N ' ' OD1' ' A' ' 58' ' ' ASP . 0.6 OUTLIER -94.82 -10.38 31.57 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.183 -0.462 . . . . 14.32 110.611 179.966 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 55.62 45.02 86.11 Favored Glycine 0 CA--C 1.525 0.661 0 N-CA-C 110.892 -0.883 . . . . 13.64 110.892 179.95 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 60' ' ' ASP . . . . . 0.564 ' OD1' ' OD1' ' A' ' 58' ' ' ASP . 1.9 p-10 -88.17 -25.5 22.9 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.886 0.375 . . . . 13.27 110.603 179.946 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 105.63 18.95 10.89 Favored Glycine 0 CA--C 1.525 0.668 0 N-CA-C 110.912 -0.875 . . . . 11.65 110.912 179.983 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 62' ' ' THR . . . . . 0.568 ' O ' ' OD1' ' A' ' 56' ' ' ASP . 0.7 OUTLIER -148.89 153.75 38.47 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.774 0.321 . . . . 11.55 110.584 179.996 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 63' ' ' ILE . . . . . . . . . . . . . 94.6 mt -120.84 125.69 74.35 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.224 -0.444 . . . . 10.06 110.607 -179.993 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 64' ' ' ASP . . . . . 0.637 ' OD2' ' N ' ' A' ' 64' ' ' ASP . 0.0 OUTLIER -94.3 -176.05 3.84 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.214 -0.448 . . . . 11.33 110.5 -179.999 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 65' ' ' PHE . . . . . 0.511 ' N ' ' HD2' ' A' ' 66' ' ' PRO . 1.4 t80 -70.25 -56.83 6.48 Favored Pre-proline 0 C--N 1.33 -0.269 0 CA-C-N 116.225 -0.443 . . . . 7.4 110.943 179.997 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 66' ' ' PRO . . . . . 0.511 ' HD2' ' N ' ' A' ' 65' ' ' PHE . 12.3 Cg_endo -57.5 -53.35 4.75 Favored 'Trans proline' 0 N--CA 1.493 1.497 0 C-N-CA 122.213 1.942 . . . . 6.66 111.971 179.65 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 67' ' ' GLU . . . . . 0.574 ' OE2' ' OD1' ' A' ' 64' ' ' ASP . 68.4 mt-10 -55.59 -17.74 6.19 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.218 -0.446 . . . . 7.44 110.404 179.858 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 68' ' ' PHE . . . . . . . . . . . . . 36.4 t80 -81.45 -25.29 36.23 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.123 -0.49 . . . . 8.58 110.529 179.96 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 69' ' ' LEU . . . . . 0.54 ' CD2' ' CG ' ' A' ' 12' ' ' PHE . 5.6 mt -83.26 -45.73 13.48 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.244 -0.435 . . . . 9.43 110.362 179.699 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 70' ' ' THR . . . . . 0.596 ' CG2' ' N ' ' A' ' 71' ' ' MET . 2.4 t -56.34 -47.51 78.64 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.12 -0.491 . . . . 7.53 110.543 179.976 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 71' ' ' MET . . . . . 0.626 ' C ' ' SD ' ' A' ' 71' ' ' MET . 0.8 OUTLIER -49.62 -46.75 49.7 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.173 -0.467 . . . . 11.86 110.491 179.864 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 72' ' ' MET . . . . . 0.572 ' N ' ' SD ' ' A' ' 71' ' ' MET . 0.0 OUTLIER -78.0 -49.84 13.29 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.213 -0.448 . . . . 22.32 110.518 -179.976 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -56.87 -54.64 44.15 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.263 -0.426 . . . . 9.15 110.529 179.97 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 74' ' ' ARG . . . . . 0.533 ' O ' ' N ' ' A' ' 77' ' ' LYS . 35.8 mmt-85 -45.49 -44.21 12.28 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.162 -0.472 . . . . 13.8 110.48 -179.985 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -45.17 -43.58 10.12 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.249 -0.432 . . . . 25.18 110.517 179.965 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 76' ' ' MET . . . . . . . . . . . . . 85.8 mtp -76.57 -11.75 59.91 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.16 -0.473 . . . . 34.79 110.544 -179.985 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 77' ' ' LYS . . . . . 0.533 ' N ' ' O ' ' A' ' 74' ' ' ARG . 23.3 tttm -102.22 39.93 1.42 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.211 -0.45 . . . . 37.65 110.631 -179.997 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 78' ' ' ASP . . . . . 0.408 ' C ' ' OD1' ' A' ' 78' ' ' ASP . 18.9 p30 -174.7 -168.07 0.34 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.182 -0.463 . . . . 42.58 110.541 179.955 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 7.5 t -73.25 164.53 26.54 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.213 -0.448 . . . . 38.4 110.52 -179.978 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 3.9 m-20 -130.58 152.09 50.33 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.19 -0.459 . . . . 37.51 110.579 -179.99 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 1.5 m -103.79 137.76 41.35 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.196 -0.456 . . . . 33.12 110.565 179.989 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 82' ' ' GLU . . . . . 0.461 ' O ' ' CG1' ' A' ' 85' ' ' ILE . 16.6 mt-10 -80.95 -15.25 56.76 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.226 -0.443 . . . . 34.28 110.536 -179.982 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -69.45 -35.65 75.86 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.26 -0.427 . . . . 30.91 110.56 -179.951 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 15.6 tm-20 -64.5 -60.42 3.16 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.241 -0.436 . . . . 22.86 110.538 -179.996 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 85' ' ' ILE . . . . . 0.461 ' CG1' ' O ' ' A' ' 82' ' ' GLU . 5.5 pt -43.74 -27.69 0.36 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.142 -0.481 . . . . 19.17 110.576 179.964 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 22.1 ttp85 -70.75 -56.23 6.84 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.162 -0.472 . . . . 26.85 110.585 179.971 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 15.7 mt-10 -59.12 -61.89 2.3 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.221 -0.445 . . . . 16.48 110.611 -179.974 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 88' ' ' ALA . . . . . 0.426 ' O ' ' CD2' ' A' ' 92' ' ' PHE . . . -43.6 -40.98 4.35 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.194 -0.457 . . . . 9.91 110.652 -179.969 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 89' ' ' PHE . . . . . 0.465 ' CE1' HD12 ' A' ' 100' ' ' ILE . 34.5 t80 -70.7 -62.9 1.22 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.188 -0.46 . . . . 8.53 110.546 179.977 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 32.4 ttp180 -51.11 -18.7 0.9 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.23 -0.441 . . . . 17.58 110.588 179.942 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 91' ' ' VAL . . . . . . . . . . . . . 37.6 t -74.19 -22.52 18.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.148 -0.478 . . . . 7.82 110.644 179.974 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 92' ' ' PHE . . . . . 0.426 ' CD2' ' O ' ' A' ' 88' ' ' ALA . 65.4 m-85 -95.33 -22.84 17.49 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.219 -0.446 . . . . 9.11 110.62 -179.936 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 93' ' ' ASP . . . . . 0.575 ' OD1' ' N ' ' A' ' 99' ' ' TYR . 1.5 m-20 -99.02 68.69 1.71 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.274 -0.421 . . . . 11.11 110.692 -179.812 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -48.68 -18.69 0.28 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.297 -0.41 . . . . 14.57 111.022 -179.719 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . 49.5 m-20 -76.42 -12.48 60.06 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.864 0.364 . . . . 10.2 110.614 -179.862 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 60.45 25.67 63.26 Favored Glycine 0 CA--C 1.525 0.703 0 N-CA-C 110.955 -0.858 . . . . 6.24 110.955 -179.89 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 97' ' ' ASN . . . . . 0.677 ' O ' ' CD2' ' A' ' 99' ' ' TYR . 45.4 p-10 -95.58 -3.87 45.62 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.879 0.371 . . . . 7.56 110.326 179.812 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . 67.51 29.29 73.91 Favored Glycine 0 CA--C 1.525 0.679 0 N-CA-C 110.972 -0.851 . . . . 7.08 110.972 179.931 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 99' ' ' TYR . . . . . 0.677 ' CD2' ' O ' ' A' ' 97' ' ' ASN . 67.1 m-85 -148.36 135.01 19.82 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.778 0.323 . . . . 9.0 110.559 179.882 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 100' ' ' ILE . . . . . 0.465 HD12 ' CE1' ' A' ' 89' ' ' PHE . 0.0 OUTLIER -122.23 117.35 51.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.268 -0.423 . . . . 9.29 110.494 179.987 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 101' ' ' SER . . . . . 0.491 ' O ' ' N ' ' A' ' 103' ' ' ALA . 1.4 t -89.41 151.7 21.89 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.278 -0.419 . . . . 7.02 110.585 179.889 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -43.66 -19.41 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.255 -0.43 . . . . 6.41 110.641 -179.949 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 103' ' ' ALA . . . . . 0.491 ' N ' ' O ' ' A' ' 101' ' ' SER . . . -81.75 -39.49 24.09 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.19 -0.459 . . . . 5.01 110.577 -179.944 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 104' ' ' GLU . . . . . 0.448 ' N ' ' O ' ' A' ' 101' ' ' SER . 26.7 mt-10 -75.14 -55.02 6.15 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.223 -0.444 . . . . 6.84 110.654 -179.975 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 105' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -47.76 -48.24 30.11 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.245 -0.434 . . . . 4.99 110.584 -179.922 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 106' ' ' ARG . . . . . 0.571 ' O ' ' OG1' ' A' ' 110' ' ' THR . 12.3 ttp180 -67.01 -19.96 65.79 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.184 -0.462 . . . . 15.24 110.592 179.996 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 107' ' ' HIS . . . . . . . . . . . . . 8.3 t-80 -74.61 -40.85 61.3 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.265 -0.425 . . . . 15.69 110.653 -179.947 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 108' ' ' VAL . . . . . 0.411 ' C ' ' N ' ' A' ' 110' ' ' THR . 25.7 t -78.91 -62.61 1.33 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.25 -0.432 . . . . 12.28 110.586 -179.945 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 109' ' ' MET . . . . . . . . . . . . . 1.8 tpt -49.73 -16.14 0.22 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.216 -0.447 . . . . 9.53 110.645 -179.885 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 110' ' ' THR . . . . . 0.571 ' OG1' ' O ' ' A' ' 106' ' ' ARG . 1.4 m -79.55 -44.94 20.17 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.285 -0.416 . . . . 11.87 110.711 -179.874 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 111' ' ' ASN . . . . . 0.654 ' ND2' ' O ' ' A' ' 111' ' ' ASN . 0.4 OUTLIER -62.67 -13.88 37.26 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.333 -0.394 . . . . 21.65 110.759 -179.784 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 112' ' ' LEU . . . . . 0.43 ' N ' HD21 ' A' ' 112' ' ' LEU . 3.8 mm? -50.03 -32.55 15.66 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.319 -0.401 . . . . 19.55 110.595 -179.973 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . 115.01 7.0 18.03 Favored Glycine 0 CA--C 1.525 0.697 0 N-CA-C 110.918 -0.873 . . . . 19.66 110.918 -179.982 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 7.9 tt0 -124.61 132.78 53.41 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.662 0.268 . . . . 25.55 110.366 179.794 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 13.9 tttp -82.23 114.1 20.5 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.405 -0.362 . . . . 23.26 110.548 179.974 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 116' ' ' LEU . . . . . . . . . . . . . 1.5 mt -107.02 156.17 19.03 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.251 -0.431 . . . . 23.07 110.6 179.993 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 117' ' ' THR . . . . . . . . . . . . . 11.6 p -78.78 148.71 32.84 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.179 -0.464 . . . . 19.41 110.586 179.975 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 118' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -77.39 -37.36 52.16 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.225 -0.443 . . . . 18.08 110.589 -179.953 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 119' ' ' GLU . . . . . . . . . . . . . 18.2 pt-20 -61.04 -28.73 69.27 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.196 -0.456 . . . . 20.16 110.572 -179.958 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 120' ' ' GLU . . . . . 0.427 ' HG2' ' SD ' ' A' ' 124' ' ' MET . 33.6 tt0 -83.38 -40.17 19.73 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.171 -0.468 . . . . 14.19 110.578 -179.953 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 121' ' ' VAL . . . . . . . . . . . . . 69.2 t -68.99 -29.0 41.76 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.174 -0.466 . . . . 14.97 110.588 -179.964 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 122' ' ' ASP . . . . . . . . . . . . . 1.5 m-20 -83.06 -54.57 4.95 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.251 -0.431 . . . . 20.12 110.629 179.981 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 123' ' ' GLU . . . . . . . . . . . . . 16.2 tt0 -54.87 -45.12 74.57 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.201 -0.454 . . . . 15.72 110.635 179.985 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 124' ' ' MET . . . . . 0.427 ' SD ' ' HG2' ' A' ' 120' ' ' GLU . 12.1 mtp -57.19 -62.05 2.03 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.163 -0.471 . . . . 9.75 110.603 -179.941 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 125' ' ' ILE . . . . . 0.571 ' O ' ' OD2' ' A' ' 129' ' ' ASP . 65.2 mt -54.61 -41.77 57.02 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.19 -0.459 . . . . 11.99 110.582 179.996 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 126' ' ' ARG . . . . . 0.454 ' HB2' ' NH2' ' A' ' 126' ' ' ARG . 0.0 OUTLIER -66.17 -19.31 65.79 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.192 -0.458 . . . . 27.23 110.579 179.958 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 127' ' ' GLU . . . . . . . . . . . . . 9.2 tp10 -77.81 -55.77 5.05 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.242 -0.436 . . . . 15.5 110.642 -179.91 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 128' ' ' ALA . . . . . . . . . . . . . . . -73.51 -13.85 61.12 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.232 -0.44 . . . . 10.5 110.653 -179.879 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 129' ' ' ASP . . . . . 0.571 ' OD2' ' O ' ' A' ' 125' ' ' ILE . 11.7 m-20 -70.57 92.8 0.86 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.248 -0.433 . . . . 10.86 110.587 -179.968 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 130' ' ' ILE . . . . . 0.525 ' N ' ' OE1' ' A' ' 140' ' ' GLU . 51.6 mt -48.7 -40.01 11.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.14 -0.482 . . . . 12.26 110.573 -179.959 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 131' ' ' ASP . . . . . . . . . . . . . 2.0 m-20 -85.53 -17.75 35.46 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.193 -0.458 . . . . 7.79 110.508 179.963 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 132' ' ' GLY . . . . . . . . . . . . . . . 55.2 43.27 83.89 Favored Glycine 0 CA--C 1.525 0.669 0 N-CA-C 110.916 -0.874 . . . . 3.93 110.916 179.956 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 133' ' ' ASP . . . . . 0.477 ' OD1' ' N ' ' A' ' 133' ' ' ASP . 0.6 OUTLIER -96.35 0.69 51.03 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.844 0.354 . . . . 9.56 110.598 179.987 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 134' ' ' GLY . . . . . . . . . . . . . . . 90.21 4.07 71.86 Favored Glycine 0 CA--C 1.525 0.683 0 N-CA-C 110.929 -0.868 . . . . 7.32 110.929 179.996 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 135' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -135.86 155.17 50.73 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.796 0.332 . . . . 22.05 110.552 -179.953 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 136' ' ' VAL . . . . . . . . . . . . . 47.1 t -110.16 141.96 23.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.162 -0.472 . . . . 10.34 110.57 -179.991 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 137' ' ' ASN . . . . . 0.469 ' N ' ' ND2' ' A' ' 137' ' ' ASN . 0.6 OUTLIER -109.35 159.67 16.8 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.164 -0.471 . . . . 12.02 110.361 179.719 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 138' ' ' TYR . . . . . . . . . . . . . 15.9 t80 -55.22 -25.37 32.68 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.356 -0.384 . . . . 8.75 110.56 179.98 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 139' ' ' GLU . . . . . . . . . . . . . 25.6 tt0 -70.66 -37.97 73.75 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.155 -0.475 . . . . 22.33 110.617 179.931 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 140' ' ' GLU . . . . . 0.525 ' OE1' ' N ' ' A' ' 130' ' ' ILE . 7.2 mt-10 -63.62 -41.66 98.26 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.197 -0.456 . . . . 13.45 110.527 179.962 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 141' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER -50.12 -46.73 54.04 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.157 -0.474 . . . . 8.25 110.502 -179.986 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 142' ' ' VAL . . . . . 0.411 ' O ' ' N ' ' A' ' 145' ' ' MET . 75.2 t -67.5 -44.04 86.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.161 -0.472 . . . . 10.15 110.573 179.949 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 143' ' ' GLN . . . . . . . . . . . . . 8.5 mm100 -43.43 -56.77 3.41 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.172 -0.467 . . . . 8.24 110.568 179.962 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 144' ' ' MET . . . . . . . . . . . . . 0.4 OUTLIER -54.24 -29.93 48.42 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.193 -0.458 . . . . 6.68 110.505 179.975 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 145' ' ' MET . . . . . 0.411 ' N ' ' O ' ' A' ' 142' ' ' VAL . 0.0 OUTLIER . . . . . 0 C--N 1.329 -0.311 0 CA-C-N 116.154 -0.476 . . . . 13.37 110.543 -179.991 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 36.1 tt0 . . . . . 0 C--O 1.231 0.107 0 CA-C-O 120.81 0.338 . . . . 23.46 110.566 . . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 4' ' ' LEU . . . . . 0.412 ' HB3' ' CG1' ' A' ' 9' ' ' ILE . 2.9 tp -77.73 126.97 31.69 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.191 -0.458 . . . . 14.38 110.566 179.982 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 57.2 p -69.88 151.11 46.06 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.205 -0.452 . . . . 7.34 110.543 -179.976 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 3.9 mm-40 -54.5 -51.18 65.9 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.19 -0.459 . . . . 7.12 110.527 -179.973 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 51.5 mt-10 -47.65 -41.97 23.47 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.186 -0.461 . . . . 6.85 110.569 179.99 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 2.1 tt0 -76.75 -43.18 38.13 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.23 -0.441 . . . . 15.1 110.594 179.938 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 9' ' ' ILE . . . . . 0.412 ' CG1' ' HB3' ' A' ' 4' ' ' LEU . 88.3 mt -60.48 -28.92 43.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.19 -0.459 . . . . 4.72 110.533 -179.992 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -73.75 -59.49 2.69 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.21 -0.45 . . . . 6.68 110.564 -179.989 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 60.3 mt-10 -49.18 -31.96 9.4 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.197 -0.456 . . . . 18.49 110.589 179.996 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 2.1 m-85 -62.58 -50.05 72.84 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.2 -0.455 . . . . 14.89 110.548 179.983 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 6.5 tttt -47.59 -31.87 4.9 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.169 -0.469 . . . . 18.39 110.526 -179.98 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 15.5 tt0 -61.15 -56.1 24.68 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.221 -0.445 . . . . 22.76 110.528 179.998 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -45.57 -35.46 3.97 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.202 -0.454 . . . . 5.67 110.503 -179.984 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 16' ' ' PHE . . . . . 0.453 ' CE2' ' CB ' ' A' ' 20' ' ' ASP . 10.8 t80 -59.7 -60.12 4.35 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.167 -0.469 . . . . 13.28 110.497 179.999 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -48.93 -21.53 0.68 Allowed 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.178 -0.465 . . . . 12.16 110.534 179.978 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -78.55 -37.32 43.05 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.148 -0.478 . . . . 17.89 110.497 179.985 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 9.2 m-85 -90.01 -50.2 6.15 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.257 -0.429 . . . . 9.14 110.556 179.986 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 20' ' ' ASP . . . . . 0.46 ' OD2' ' O ' ' A' ' 26' ' ' THR . 15.7 t70 -85.38 83.24 8.02 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.22 -0.445 . . . . 7.47 110.507 179.971 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 17.1 pttt -75.14 -19.67 59.77 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.188 -0.46 . . . . 27.75 110.69 -179.983 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 22' ' ' ASP . . . . . 0.513 ' OD2' ' OE1' ' A' ' 31' ' ' GLU . 29.2 m-20 -73.04 -15.34 61.52 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.213 -0.449 . . . . 14.13 110.616 -179.943 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 59.58 27.98 64.49 Favored Glycine 0 CA--C 1.525 0.663 0 N-CA-C 110.981 -0.847 . . . . 11.51 110.981 -179.907 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 4.0 m-20 -80.87 -29.52 35.72 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.775 0.322 . . . . 14.28 110.613 -179.962 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 105.17 7.91 37.02 Favored Glycine 0 CA--C 1.525 0.703 0 N-CA-C 110.874 -0.891 . . . . 9.47 110.874 -179.995 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 26' ' ' THR . . . . . 0.46 ' O ' ' OD2' ' A' ' 20' ' ' ASP . 72.9 p -148.04 142.08 25.96 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.814 0.34 . . . . 16.41 110.554 179.958 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 43.6 mt -102.97 123.43 56.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.206 -0.452 . . . . 8.03 110.612 179.952 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 28' ' ' THR . . . . . 0.717 ' HG1' ' H ' ' A' ' 30' ' ' LYS . 0.6 OUTLIER -105.86 169.11 8.67 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.213 -0.448 . . . . 7.8 110.586 -179.982 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 29' ' ' THR . . . . . 0.461 ' N ' ' HG1' ' A' ' 28' ' ' THR . 6.5 m -70.65 -16.15 62.79 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.164 -0.471 . . . . 10.04 110.571 179.975 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 30' ' ' LYS . . . . . 0.717 ' H ' ' HG1' ' A' ' 28' ' ' THR . 26.3 mmtt -80.62 -34.28 35.15 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.182 -0.463 . . . . 16.38 110.575 -179.993 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 31' ' ' GLU . . . . . 0.513 ' OE1' ' OD2' ' A' ' 22' ' ' ASP . 3.7 tt0 -85.18 -28.25 25.59 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.205 -0.452 . . . . 5.59 110.54 179.992 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 7.6 tp -64.11 -59.81 4.0 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.111 -0.495 . . . . 7.72 110.547 179.98 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -50.19 -46.58 43.06 Favored Glycine 0 CA--C 1.525 0.663 0 N-CA-C 110.867 -0.893 . . . . 6.93 110.867 179.985 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 2.7 m -52.04 -40.87 61.76 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.808 0.337 . . . . 9.63 110.544 179.928 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 48.0 t -63.7 -48.62 85.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.217 -0.447 . . . . 7.07 110.511 179.99 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 36' ' ' MET . . . . . . . . . . . . . 4.1 mtt -64.38 -27.77 69.23 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.186 -0.461 . . . . 10.12 110.501 179.985 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 1.3 mtp180 -62.9 -27.48 69.4 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.214 -0.448 . . . . 9.87 110.52 179.925 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 1.7 t -80.31 -18.71 48.41 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.169 -0.469 . . . . 8.15 110.418 179.981 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 8.8 mp -93.12 15.13 15.94 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.166 -0.47 . . . . 12.78 110.504 179.924 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 66.71 28.48 73.78 Favored Glycine 0 CA--C 1.525 0.66 0 N-CA-C 110.923 -0.871 . . . . 9.6 110.923 179.981 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 37.1 mt-30 -104.38 150.53 24.42 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.811 0.339 . . . . 20.35 110.54 -179.952 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 18.4 m120 -140.06 80.07 21.09 Favored Pre-proline 0 C--N 1.329 -0.289 0 CA-C-N 116.184 -0.462 . . . . 10.22 110.516 179.942 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 60.2 Cg_endo -78.05 159.9 30.29 Favored 'Trans proline' 0 C--N 1.307 -1.655 0 C-N-CA 122.792 2.328 . . . . 8.63 112.23 -179.985 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 44' ' ' THR . . . . . 0.429 HG21 ' H ' ' A' ' 46' ' ' ALA . 63.4 m -94.22 147.34 23.28 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.174 -0.467 . . . . 4.83 110.519 179.962 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 9.5 mp0 -46.17 -20.91 0.12 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.246 -0.434 . . . . 16.78 110.535 -179.99 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 46' ' ' ALA . . . . . 0.429 ' H ' HG21 ' A' ' 44' ' ' THR . . . -83.64 -40.58 18.81 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.167 -0.469 . . . . 4.8 110.589 179.98 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 27.0 mm-40 -69.24 -60.78 2.12 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.228 -0.442 . . . . 6.18 110.608 179.999 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 5.8 tp -50.07 -35.62 26.04 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.153 -0.476 . . . . 6.65 110.615 -179.981 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 24.2 tt0 -66.14 -48.04 72.12 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.232 -0.44 . . . . 7.05 110.553 -179.98 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 50' ' ' ASP . . . . . 0.404 ' CG ' ' O ' ' A' ' 46' ' ' ALA . 16.2 m-20 -58.67 -25.95 63.32 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.188 -0.46 . . . . 6.72 110.614 -179.987 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 51' ' ' MET . . . . . . . . . . . . . 4.5 tpt -76.38 -58.91 3.01 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.193 -0.458 . . . . 13.6 110.57 179.999 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 3.9 mm -49.02 -43.32 15.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.171 -0.468 . . . . 8.71 110.542 179.983 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 18.6 m120 -49.89 -51.03 43.7 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.231 -0.441 . . . . 9.04 110.52 -179.977 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 3.7 mm-40 -51.21 -27.71 9.62 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.2 -0.455 . . . . 23.58 110.623 -179.922 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 55' ' ' VAL . . . . . 0.482 ' CG2' ' SD ' ' A' ' 71' ' ' MET . 11.9 t -95.01 -20.52 6.01 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.226 -0.443 . . . . 7.6 110.62 179.951 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 56' ' ' ASP . . . . . 0.567 ' OD1' ' O ' ' A' ' 62' ' ' THR . 0.6 OUTLIER -107.63 87.97 2.63 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.197 -0.456 . . . . 12.55 110.521 -179.972 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -79.07 -28.52 43.14 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.186 -0.461 . . . . 15.13 110.568 179.97 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 5.3 m-20 -85.86 2.3 46.43 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.181 -0.463 . . . . 14.32 110.555 179.992 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 52.46 17.25 4.18 Favored Glycine 0 CA--C 1.525 0.695 0 N-CA-C 110.917 -0.873 . . . . 13.64 110.917 -179.989 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 60' ' ' ASP . . . . . 0.406 ' OD1' ' N ' ' A' ' 60' ' ' ASP . 3.8 p-10 -62.31 -22.39 66.01 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.859 0.362 . . . . 13.27 110.59 -179.992 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 92.78 -1.41 71.35 Favored Glycine 0 CA--C 1.525 0.695 0 N-CA-C 110.963 -0.855 . . . . 11.65 110.963 -179.983 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 62' ' ' THR . . . . . 0.567 ' O ' ' OD1' ' A' ' 56' ' ' ASP . 0.3 OUTLIER -129.26 154.58 46.68 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.837 0.351 . . . . 11.55 110.539 -179.971 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 63' ' ' ILE . . . . . 0.404 HG21 HD12 ' A' ' 63' ' ' ILE . 81.7 mt -106.79 141.33 22.27 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.169 -0.469 . . . . 10.06 110.567 179.982 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 64' ' ' ASP . . . . . 0.558 ' OD2' ' N ' ' A' ' 64' ' ' ASP . 0.2 OUTLIER -99.84 172.37 7.28 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.217 -0.447 . . . . 11.33 110.565 179.983 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 65' ' ' PHE . . . . . 0.555 ' CD1' ' C ' ' A' ' 65' ' ' PHE . 0.3 OUTLIER -70.97 -56.71 5.49 Favored Pre-proline 0 C--N 1.328 -0.332 0 CA-C-N 116.264 -0.426 . . . . 7.4 110.84 179.965 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 66' ' ' PRO . . . . . 0.497 ' HD2' ' N ' ' A' ' 65' ' ' PHE . 18.9 Cg_endo -62.28 -40.81 38.13 Favored 'Trans proline' 0 N--CA 1.494 1.52 0 C-N-CA 122.21 1.94 . . . . 6.66 111.933 179.724 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 67' ' ' GLU . . . . . 0.468 ' OE1' ' OD1' ' A' ' 64' ' ' ASP . 38.5 mt-10 -64.17 -14.76 57.34 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.152 -0.476 . . . . 7.44 110.349 179.848 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 68' ' ' PHE . . . . . . . . . . . . . 45.7 t80 -79.58 -25.35 41.57 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.104 -0.498 . . . . 8.58 110.457 179.941 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 69' ' ' LEU . . . . . 0.457 HD12 ' CE1' ' A' ' 65' ' ' PHE . 6.6 mp -83.21 -41.29 18.59 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.177 -0.465 . . . . 9.43 110.437 179.704 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 70' ' ' THR . . . . . 0.561 ' CG2' ' N ' ' A' ' 71' ' ' MET . 1.2 t -61.13 -44.38 97.42 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.147 -0.479 . . . . 7.53 110.528 -179.924 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 71' ' ' MET . . . . . 0.561 ' N ' ' CG2' ' A' ' 70' ' ' THR . 0.0 OUTLIER -53.05 -44.92 67.8 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.248 -0.433 . . . . 11.86 110.506 179.919 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 72' ' ' MET . . . . . 0.617 ' SD ' ' C ' ' A' ' 72' ' ' MET . 0.0 OUTLIER -80.67 -47.36 14.15 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.18 -0.464 . . . . 22.32 110.585 179.96 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -57.69 -53.85 53.48 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.187 -0.461 . . . . 9.15 110.595 179.951 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 41.0 ttt180 -45.37 -51.58 11.05 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.2 -0.454 . . . . 13.8 110.536 -179.952 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 75' ' ' LYS . . . . . 0.494 ' O ' ' OD1' ' A' ' 78' ' ' ASP . 19.8 mmtt -43.91 -36.84 2.58 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.202 -0.454 . . . . 25.18 110.549 179.975 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 76' ' ' MET . . . . . 0.525 ' C ' ' H ' ' A' ' 78' ' ' ASP . 11.7 mtt -83.89 -35.48 24.08 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.211 -0.449 . . . . 34.79 110.585 -179.986 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 13.4 tptt -70.94 39.73 0.06 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.177 -0.465 . . . . 37.65 110.54 -179.975 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 78' ' ' ASP . . . . . 0.525 ' H ' ' C ' ' A' ' 76' ' ' MET . 19.0 p30 -176.15 -160.32 0.07 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.238 -0.437 . . . . 42.58 110.608 179.983 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 79' ' ' THR . . . . . 0.461 ' H ' ' HG1' ' A' ' 79' ' ' THR . 6.5 p -78.04 155.68 30.52 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.2 -0.454 . . . . 38.4 110.525 -179.992 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 3.3 p-10 -112.71 150.17 31.9 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.194 -0.457 . . . . 37.51 110.573 -179.996 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 50.9 m -109.25 138.03 46.23 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.254 -0.43 . . . . 33.12 110.548 -179.978 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 51.4 mt-10 -84.82 -10.42 57.19 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.201 -0.454 . . . . 34.28 110.568 -179.976 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 83' ' ' GLU . . . . . 0.451 ' HG3' ' H ' ' A' ' 84' ' ' GLU . 0.3 OUTLIER -63.95 -39.92 95.25 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.177 -0.465 . . . . 30.91 110.654 -179.96 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 84' ' ' GLU . . . . . 0.451 ' H ' ' HG3' ' A' ' 83' ' ' GLU . 0.0 OUTLIER -83.0 -52.45 6.66 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.23 -0.441 . . . . 22.86 110.588 179.962 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 85' ' ' ILE . . . . . . . . . . . . . 13.4 mt -48.07 -20.35 0.42 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.14 -0.482 . . . . 19.17 110.534 -179.96 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 32.2 ttp180 -81.2 -55.25 4.87 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.205 -0.452 . . . . 26.85 110.542 -179.99 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 20.0 mt-10 -61.72 -47.43 85.27 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.223 -0.444 . . . . 16.48 110.571 -179.973 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -59.56 -33.37 71.33 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.191 -0.458 . . . . 9.91 110.597 -179.97 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 89' ' ' PHE . . . . . 0.417 ' O ' ' CD2' ' A' ' 89' ' ' PHE . 35.4 t80 -68.76 -26.3 65.16 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.208 -0.451 . . . . 8.53 110.623 -179.97 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 90' ' ' ARG . . . . . 0.434 ' HD3' ' N ' ' A' ' 90' ' ' ARG . 0.0 OUTLIER -76.9 -45.36 28.33 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.219 -0.446 . . . . 17.58 110.567 -179.988 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 91' ' ' VAL . . . . . . . . . . . . . 84.5 t -50.08 -18.29 0.54 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.244 -0.435 . . . . 7.82 110.562 -179.839 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 92' ' ' PHE . . . . . . . . . . . . . 51.6 m-85 -95.34 -42.65 8.41 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.231 -0.44 . . . . 9.11 110.538 179.846 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 93' ' ' ASP . . . . . 0.532 ' CG ' ' O ' ' A' ' 99' ' ' TYR . 21.0 t0 -95.46 69.08 3.02 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.094 -0.503 . . . . 11.11 110.524 179.998 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 7.3 pttt -48.19 -21.43 0.49 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.217 -0.447 . . . . 14.57 111.12 -179.644 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 95' ' ' ASP . . . . . 0.455 ' CG ' ' OD1' ' A' ' 97' ' ' ASN . 22.2 t0 -75.55 -13.33 60.35 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-O 120.817 0.341 . . . . 10.2 110.752 -179.761 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 60.26 22.19 58.02 Favored Glycine 0 CA--C 1.525 0.719 0 N-CA-C 110.998 -0.841 . . . . 6.24 110.998 -179.988 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 97' ' ' ASN . . . . . 0.455 ' OD1' ' CG ' ' A' ' 95' ' ' ASP . 11.6 m120 -82.69 2.65 32.58 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.879 0.371 . . . . 7.56 110.509 179.944 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . 70.83 4.17 53.25 Favored Glycine 0 CA--C 1.524 0.648 0 N-CA-C 110.984 -0.846 . . . . 7.08 110.984 179.947 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 99' ' ' TYR . . . . . 0.633 ' CD1' ' C ' ' A' ' 99' ' ' TYR . 1.5 p90 -139.14 145.89 39.97 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.801 0.334 . . . . 9.0 110.597 -179.958 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 12.9 mt -122.05 124.52 71.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.155 -0.475 . . . . 9.29 110.519 179.905 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 101' ' ' SER . . . . . 0.518 ' O ' ' N ' ' A' ' 103' ' ' ALA . 8.8 t -91.21 151.68 20.84 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.241 -0.436 . . . . 7.02 110.626 -179.927 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -42.6 -19.34 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.135 -0.484 . . . . 6.41 110.604 -179.879 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 103' ' ' ALA . . . . . 0.518 ' N ' ' O ' ' A' ' 101' ' ' SER . . . -77.77 -57.52 3.76 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.237 -0.438 . . . . 5.01 110.564 179.969 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 26.2 mt-10 -56.16 -46.09 79.42 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.178 -0.465 . . . . 6.84 110.643 -179.961 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 105' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -58.21 -47.88 82.09 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.247 -0.433 . . . . 4.99 110.569 179.983 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 106' ' ' ARG . . . . . 0.573 ' O ' ' OG1' ' A' ' 110' ' ' THR . 20.5 ttp180 -69.34 -22.67 63.74 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.184 -0.462 . . . . 15.24 110.498 -179.956 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 107' ' ' HIS . . . . . . . . . . . . . 0.6 OUTLIER -78.43 -43.99 25.9 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.232 -0.44 . . . . 15.69 110.547 179.959 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 108' ' ' VAL . . . . . . . . . . . . . 64.2 t -80.42 -44.7 22.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.219 -0.446 . . . . 12.28 110.546 -179.966 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 109' ' ' MET . . . . . . . . . . . . . 2.7 tpt -66.13 -13.76 60.67 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.22 -0.445 . . . . 9.53 110.612 -179.927 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 110' ' ' THR . . . . . 0.573 ' OG1' ' O ' ' A' ' 106' ' ' ARG . 1.5 m -81.54 -39.36 24.76 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.262 -0.426 . . . . 11.87 110.564 179.98 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 111' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -72.36 -13.04 61.38 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.26 -0.427 . . . . 21.65 110.522 179.998 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 1.6 mm? -50.18 -27.3 5.66 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.221 -0.445 . . . . 19.55 110.588 -179.987 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . 115.29 -0.61 22.33 Favored Glycine 0 CA--C 1.524 0.646 0 N-CA-C 110.856 -0.898 . . . . 19.66 110.856 -179.867 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 114' ' ' GLU . . . . . 0.449 ' O ' ' CD2' ' A' ' 116' ' ' LEU . 24.5 mm-40 -124.41 128.83 49.64 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.725 0.298 . . . . 25.55 110.392 179.707 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 48.6 tttp -82.57 116.21 21.88 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.408 -0.36 . . . . 23.26 110.662 -179.923 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 116' ' ' LEU . . . . . 0.505 ' CD2' ' N ' ' A' ' 116' ' ' LEU . 0.1 OUTLIER -102.9 159.07 15.83 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.189 -0.459 . . . . 23.07 110.531 179.993 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 117' ' ' THR . . . . . . . . . . . . . 0.4 OUTLIER -85.41 149.41 25.44 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.182 -0.463 . . . . 19.41 110.561 179.985 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 118' ' ' ASP . . . . . 0.567 ' CG ' HH21 ' A' ' 106' ' ' ARG . 72.9 m-20 -75.98 -26.1 56.45 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.239 -0.437 . . . . 18.08 110.537 -179.982 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 119' ' ' GLU . . . . . . . . . . . . . 6.3 mm-40 -70.89 -26.32 63.18 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.191 -0.459 . . . . 20.16 110.513 -179.97 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 120' ' ' GLU . . . . . . . . . . . . . 33.6 tt0 -85.17 -45.98 11.51 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.213 -0.448 . . . . 14.19 110.53 -179.972 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 121' ' ' VAL . . . . . . . . . . . . . 93.4 t -54.48 -42.88 61.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.244 -0.435 . . . . 14.97 110.579 -179.998 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 122' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -76.37 -44.55 35.82 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.185 -0.461 . . . . 20.12 110.532 -179.998 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 123' ' ' GLU . . . . . 0.507 ' OE2' ' O ' ' A' ' 123' ' ' GLU . 7.1 tp10 -57.33 -47.33 81.83 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.26 -0.427 . . . . 15.72 110.535 -179.983 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 124' ' ' MET . . . . . . . . . . . . . 4.6 ttt -61.92 -54.5 41.06 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.174 -0.466 . . . . 9.75 110.589 179.982 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 125' ' ' ILE . . . . . 0.439 ' C ' ' N ' ' A' ' 127' ' ' GLU . 24.4 mt -62.53 -58.04 9.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.159 -0.473 . . . . 11.99 110.587 179.982 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 126' ' ' ARG . . . . . . . . . . . . . 52.2 ttt-85 -43.54 -22.52 0.05 OUTLIER 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.235 -0.439 . . . . 27.23 110.578 179.987 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 127' ' ' GLU . . . . . 0.439 ' N ' ' C ' ' A' ' 125' ' ' ILE . 16.7 tt0 -89.81 -54.2 4.16 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.215 -0.448 . . . . 15.5 110.571 -179.98 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 128' ' ' ALA . . . . . . . . . . . . . . . -65.42 -25.9 67.73 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.165 -0.47 . . . . 10.5 110.571 -179.983 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 129' ' ' ASP . . . . . 0.636 ' OD1' ' N ' ' A' ' 133' ' ' ASP . 45.4 t0 -72.89 92.71 1.64 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.204 -0.453 . . . . 10.86 110.528 179.97 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 130' ' ' ILE . . . . . . . . . . . . . 18.8 mt -48.54 -35.13 5.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.11 -0.495 . . . . 12.26 110.713 -179.788 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 131' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -88.2 -17.93 29.79 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.316 -0.402 . . . . 7.79 110.652 -179.957 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 132' ' ' GLY . . . . . 0.626 ' N ' ' OD2' ' A' ' 129' ' ' ASP . . . 60.7 39.43 96.64 Favored Glycine 0 CA--C 1.525 0.674 0 N-CA-C 110.826 -0.91 . . . . 3.93 110.826 -179.935 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 133' ' ' ASP . . . . . 0.636 ' N ' ' OD1' ' A' ' 129' ' ' ASP . 0.5 OUTLIER -87.99 -1.82 58.23 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.759 0.314 . . . . 9.56 110.649 -179.888 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 134' ' ' GLY . . . . . . . . . . . . . . . 82.78 5.43 89.41 Favored Glycine 0 CA--C 1.525 0.667 0 N-CA-C 110.902 -0.879 . . . . 7.32 110.902 -179.959 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 135' ' ' GLN . . . . . . . . . . . . . 9.4 mt-30 -136.32 160.62 38.17 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.745 0.307 . . . . 22.05 110.415 179.937 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 136' ' ' VAL . . . . . 0.548 ' C ' HD21 ' A' ' 137' ' ' ASN . 66.2 t -112.75 135.46 52.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.336 -0.393 . . . . 10.34 110.694 -179.91 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 137' ' ' ASN . . . . . 0.631 HD21 ' N ' ' A' ' 137' ' ' ASN . 0.7 OUTLIER -109.92 159.47 17.22 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.147 -0.479 . . . . 12.02 110.292 179.541 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 138' ' ' TYR . . . . . . . . . . . . . 75.1 t80 -49.6 -28.78 6.13 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.811 0.339 . . . . 8.75 110.496 179.972 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 139' ' ' GLU . . . . . . . . . . . . . 5.0 mt-10 -70.01 -39.99 75.51 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.168 -0.469 . . . . 22.33 110.541 -179.989 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 140' ' ' GLU . . . . . 0.505 ' OE1' ' N ' ' A' ' 137' ' ' ASN . 1.7 mt-10 -61.1 -43.14 99.34 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.247 -0.433 . . . . 13.45 110.498 179.929 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 141' ' ' PHE . . . . . . . . . . . . . 1.2 m-85 -50.74 -60.32 3.17 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.2 -0.455 . . . . 8.25 110.438 179.968 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 142' ' ' VAL . . . . . . . . . . . . . 66.0 t -50.76 -36.41 14.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.152 -0.476 . . . . 10.15 110.549 179.985 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 143' ' ' GLN . . . . . . . . . . . . . 14.4 tp60 -47.17 -54.75 9.89 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.176 -0.465 . . . . 8.24 110.435 179.964 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 144' ' ' MET . . . . . . . . . . . . . 2.1 ttt -49.13 -37.89 23.38 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.228 -0.442 . . . . 6.68 110.439 179.993 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 145' ' ' MET . . . . . . . . . . . . . 29.9 mtt . . . . . 0 C--N 1.329 -0.307 0 CA-C-N 116.198 -0.455 . . . . 13.37 110.534 179.887 . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 3' ' ' GLN . . . . . 0.604 ' OE1' ' N ' ' A' ' 3' ' ' GLN . 0.0 OUTLIER . . . . . 0 C--O 1.231 0.121 0 CA-C-O 120.754 0.311 . . . . 23.46 110.545 . . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -80.58 127.17 32.15 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.216 -0.447 . . . . 14.38 110.537 -179.994 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 71.6 p -68.59 149.77 48.78 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.209 -0.45 . . . . 7.34 110.518 179.999 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 24.6 mm-40 -53.9 -45.45 71.11 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.211 -0.45 . . . . 7.12 110.605 -179.996 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 7' ' ' GLU . . . . . 0.572 ' O ' ' OE1' ' A' ' 7' ' ' GLU . 0.9 OUTLIER -48.22 -38.79 19.31 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.171 -0.468 . . . . 6.85 110.641 -179.995 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 69.4 mt-30 -78.34 -40.96 34.99 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.218 -0.446 . . . . 15.1 110.601 179.992 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 9' ' ' ILE . . . . . 0.505 HG23 HD13 ' A' ' 9' ' ' ILE . 60.2 mt -62.18 -31.51 51.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.181 -0.463 . . . . 4.72 110.583 -179.921 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -68.32 -59.35 3.26 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.212 -0.449 . . . . 6.68 110.557 -179.938 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 45.4 mm-40 -46.14 -38.98 8.87 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.265 -0.425 . . . . 18.49 110.584 -179.925 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 12' ' ' PHE . . . . . 0.446 ' CD2' HD21 ' A' ' 69' ' ' LEU . 1.9 m-85 -57.57 -45.21 85.47 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.224 -0.444 . . . . 14.89 110.608 179.997 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -47.01 -41.62 16.8 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.212 -0.449 . . . . 18.39 110.527 -179.927 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 3.7 tm-20 -60.75 -35.76 77.19 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.242 -0.435 . . . . 22.76 110.615 180.0 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -60.66 -51.95 67.21 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.164 -0.471 . . . . 5.67 110.608 179.954 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 16' ' ' PHE . . . . . 0.414 ' CE2' HD12 ' A' ' 27' ' ' ILE . 0.1 OUTLIER -48.87 -60.27 2.89 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.206 -0.452 . . . . 13.28 110.469 -179.971 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 10.9 t -48.24 -23.53 0.91 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.246 -0.433 . . . . 12.16 110.461 179.943 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -81.35 -33.35 32.49 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.151 -0.477 . . . . 17.89 110.488 180.0 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 19' ' ' PHE . . . . . 0.403 ' N ' ' O ' ' A' ' 16' ' ' PHE . 25.6 m-85 -90.05 -50.44 6.01 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.257 -0.429 . . . . 9.14 110.599 179.981 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 33.8 t70 -95.88 91.52 6.07 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.232 -0.44 . . . . 7.47 110.602 -179.947 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 24.3 mttp -83.5 -19.54 35.58 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.144 -0.48 . . . . 27.75 110.633 -179.933 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 92.5 m-20 -72.62 -15.39 61.73 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.304 -0.407 . . . . 14.13 110.702 -179.812 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 62.26 31.93 80.9 Favored Glycine 0 CA--C 1.524 0.647 0 N-CA-C 110.903 -0.879 . . . . 11.51 110.903 -179.935 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 52.7 t0 -81.81 -29.39 32.68 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.763 0.316 . . . . 14.28 110.653 -179.976 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 105.09 1.08 41.67 Favored Glycine 0 CA--C 1.525 0.683 0 N-CA-C 110.924 -0.87 . . . . 9.47 110.924 -179.998 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 1.5 p -148.54 136.84 21.18 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.792 0.329 . . . . 16.41 110.559 179.967 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 27' ' ' ILE . . . . . 0.414 HD12 ' CE2' ' A' ' 16' ' ' PHE . 5.6 mt -100.03 130.38 49.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.202 -0.454 . . . . 8.03 110.508 179.989 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 33.5 p -111.36 173.97 6.09 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.188 -0.46 . . . . 7.8 110.6 179.955 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 21.0 p -60.04 -42.08 93.66 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.219 -0.446 . . . . 10.04 110.516 179.979 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 2.9 mtpp -63.79 -34.46 77.95 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.154 -0.475 . . . . 16.38 110.628 -179.939 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 32.0 mt-10 -75.34 -43.66 49.43 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.24 -0.436 . . . . 5.59 110.517 179.977 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 1.4 mt -63.61 -59.4 4.67 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.187 -0.461 . . . . 7.72 110.573 -179.978 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 33' ' ' GLY . . . . . 0.446 ' O ' ' N ' ' A' ' 37' ' ' ARG . . . -44.03 -52.45 6.88 Favored Glycine 0 CA--C 1.525 0.688 0 N-CA-C 110.927 -0.869 . . . . 6.93 110.927 179.988 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 29.3 m -49.23 -42.32 40.2 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.772 0.32 . . . . 9.63 110.488 179.939 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 73.6 t -64.52 -51.52 66.76 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.224 -0.443 . . . . 7.07 110.536 179.954 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 36' ' ' MET . . . . . . . . . . . . . 19.2 mmt -68.97 -24.75 64.29 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.22 -0.446 . . . . 10.12 110.475 179.979 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 37' ' ' ARG . . . . . 0.446 ' N ' ' O ' ' A' ' 33' ' ' GLY . 54.9 ttm-85 -65.32 -31.01 71.92 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.215 -0.448 . . . . 9.87 110.533 179.988 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -82.24 -16.05 50.91 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.186 -0.461 . . . . 8.15 110.528 -180.0 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 7.5 mp -87.78 15.0 7.54 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.19 -0.459 . . . . 12.78 110.576 179.968 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 74.51 20.79 79.46 Favored Glycine 0 CA--C 1.525 0.689 0 N-CA-C 110.924 -0.87 . . . . 9.6 110.924 179.986 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 41' ' ' GLN . . . . . 0.459 ' O ' ' ND2' ' A' ' 42' ' ' ASN . 0.9 OUTLIER -102.52 146.11 28.61 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.809 0.337 . . . . 20.35 110.58 -179.975 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 42' ' ' ASN . . . . . 0.459 ' ND2' ' O ' ' A' ' 41' ' ' GLN . 14.3 m120 -136.72 80.02 38.58 Favored Pre-proline 0 C--N 1.329 -0.286 0 CA-C-N 116.195 -0.457 . . . . 10.22 110.556 179.971 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 60.3 Cg_endo -78.1 155.24 29.57 Favored 'Trans proline' 0 C--N 1.306 -1.679 0 C-N-CA 122.809 2.339 . . . . 8.63 112.224 -179.897 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 44' ' ' THR . . . . . 0.443 HG21 ' H ' ' A' ' 45' ' ' GLU . 0.2 OUTLIER -81.01 168.43 18.69 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.18 -0.464 . . . . 4.83 110.509 179.982 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 45' ' ' GLU . . . . . 0.443 ' H ' HG21 ' A' ' 44' ' ' THR . 62.6 tt0 -62.38 -42.19 99.22 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.176 -0.465 . . . . 16.78 110.567 179.967 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -77.95 -21.88 50.36 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.212 -0.449 . . . . 4.8 110.534 179.98 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 43.4 mt-10 -72.28 -53.03 13.66 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.194 -0.457 . . . . 6.18 110.544 179.993 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 48' ' ' LEU . . . . . 0.441 ' O ' ' N ' ' A' ' 51' ' ' MET . 4.7 tp -68.77 -53.25 22.91 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.21 -0.45 . . . . 6.65 110.578 179.968 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 6.6 tp-100 -47.0 -46.1 21.55 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.144 -0.48 . . . . 7.05 110.546 179.976 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 2.6 t70 -69.82 -18.36 63.45 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.216 -0.447 . . . . 6.72 110.532 179.947 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 51' ' ' MET . . . . . 0.441 ' N ' ' O ' ' A' ' 48' ' ' LEU . 4.7 ttt -68.45 -50.13 54.82 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.164 -0.471 . . . . 13.6 110.554 -179.986 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 1.5 mp -53.94 -46.11 64.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.231 -0.44 . . . . 8.71 110.449 179.975 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 1.9 t-20 -43.41 -48.78 7.15 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.26 -0.427 . . . . 9.04 110.482 -179.994 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 70.8 mt-10 -51.21 -49.13 61.64 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.185 -0.461 . . . . 23.58 110.57 179.985 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 2.4 t -83.75 -4.37 8.42 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.232 -0.44 . . . . 7.6 110.553 -179.98 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 56' ' ' ASP . . . . . 0.558 ' OD1' ' O ' ' A' ' 62' ' ' THR . 1.1 t70 -107.52 96.99 6.79 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.186 -0.461 . . . . 12.55 110.59 179.966 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -83.25 -44.56 14.84 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.217 -0.447 . . . . 15.13 110.533 -179.98 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -78.74 -5.71 53.94 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.209 -0.45 . . . . 14.32 110.547 179.999 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 59' ' ' GLY . . . . . 0.429 ' CA ' ' OD2' ' A' ' 56' ' ' ASP . . . 56.45 49.84 66.53 Favored Glycine 0 CA--C 1.524 0.644 0 N-CA-C 110.963 -0.855 . . . . 13.64 110.963 -179.999 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 60' ' ' ASP . . . . . 0.413 ' N ' ' OD2' ' A' ' 56' ' ' ASP . 20.6 p-10 -87.32 -17.94 31.27 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.815 0.341 . . . . 13.27 110.541 -179.959 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 105.73 -10.09 44.89 Favored Glycine 0 CA--C 1.525 0.661 0 N-CA-C 110.939 -0.864 . . . . 11.65 110.939 -179.983 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 62' ' ' THR . . . . . 0.558 ' O ' ' OD1' ' A' ' 56' ' ' ASP . 1.7 p -138.19 178.61 7.0 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.735 0.302 . . . . 11.55 110.541 -179.966 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 63' ' ' ILE . . . . . 0.417 ' CG2' ' HB2' ' A' ' 68' ' ' PHE . 1.7 mp -111.03 141.36 26.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.217 -0.447 . . . . 10.06 110.666 -179.922 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 64' ' ' ASP . . . . . 0.543 ' O ' ' CB ' ' A' ' 68' ' ' PHE . 21.3 m-20 -116.48 -179.17 3.6 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.107 -0.497 . . . . 11.33 110.451 179.983 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 65' ' ' PHE . . . . . 0.503 ' N ' ' CD ' ' A' ' 66' ' ' PRO . 0.1 OUTLIER -70.27 -50.23 15.82 Favored Pre-proline 0 C--N 1.33 -0.271 0 CA-C-N 116.418 -0.356 . . . . 7.4 110.692 -179.779 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 66' ' ' PRO . . . . . 0.561 ' O ' ' OG1' ' A' ' 70' ' ' THR . 31.4 Cg_exo -55.08 -36.47 92.93 Favored 'Trans proline' 0 C--N 1.306 -1.695 0 C-N-CA 122.628 2.219 . . . . 6.66 111.994 -179.902 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 18.1 mt-10 -91.08 -38.81 12.54 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.227 -0.442 . . . . 7.44 110.545 179.991 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 68' ' ' PHE . . . . . 0.543 ' CB ' ' O ' ' A' ' 64' ' ' ASP . 13.5 t80 -56.19 -38.11 70.51 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.239 -0.437 . . . . 8.58 110.595 -179.995 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 69' ' ' LEU . . . . . 0.446 HD21 ' CD2' ' A' ' 12' ' ' PHE . 0.7 OUTLIER -83.67 -43.38 15.64 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.23 -0.441 . . . . 9.43 110.323 179.517 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 70' ' ' THR . . . . . 0.561 ' OG1' ' O ' ' A' ' 66' ' ' PRO . 88.7 m -62.46 -45.9 90.94 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.095 -0.502 . . . . 7.53 110.508 179.956 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 71' ' ' MET . . . . . 0.651 ' SD ' ' N ' ' A' ' 72' ' ' MET . 1.4 tmt? -48.01 -46.1 32.57 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.158 -0.474 . . . . 11.86 110.446 179.965 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 72' ' ' MET . . . . . 0.651 ' N ' ' SD ' ' A' ' 71' ' ' MET . 6.8 ttt -72.67 -49.95 28.2 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.21 -0.45 . . . . 22.32 110.539 179.959 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -52.86 -56.31 16.73 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.182 -0.463 . . . . 9.15 110.537 179.975 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 12.4 mtp85 -46.16 -35.7 5.3 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.231 -0.44 . . . . 13.8 110.496 179.944 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 40.4 tttm -48.51 -47.42 38.89 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.136 -0.484 . . . . 25.18 110.483 179.932 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 76' ' ' MET . . . . . . . . . . . . . 4.1 mtt -67.72 -12.98 61.69 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.201 -0.454 . . . . 34.79 110.554 -179.988 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 33.7 mttm -112.21 39.81 2.35 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.191 -0.459 . . . . 37.65 110.559 -179.983 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 6.2 m-20 -163.72 167.85 20.49 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.247 -0.433 . . . . 42.58 110.581 -179.994 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 75.7 p -72.54 159.88 33.19 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.195 -0.457 . . . . 38.4 110.556 -179.993 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 14.2 m-20 -130.65 157.87 41.57 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.2 -0.455 . . . . 37.51 110.575 -179.978 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 81' ' ' SER . . . . . 0.488 ' C ' ' H ' ' A' ' 83' ' ' GLU . 10.9 t -114.96 123.04 48.08 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.179 -0.464 . . . . 33.12 110.628 179.951 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 29.6 tt0 -52.43 -10.38 0.14 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.216 -0.447 . . . . 34.28 110.637 -179.966 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 83' ' ' GLU . . . . . 0.488 ' H ' ' C ' ' A' ' 81' ' ' SER . 33.3 tt0 -60.3 -60.44 3.81 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.231 -0.441 . . . . 30.91 110.568 -179.942 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 5.2 tp10 -57.62 -20.92 36.26 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.22 -0.446 . . . . 22.86 110.594 -179.968 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 85' ' ' ILE . . . . . 0.409 ' CD1' ' HE1' ' A' ' 145' ' ' MET . 13.6 mt -83.03 -22.32 8.75 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.237 -0.438 . . . . 19.17 110.605 179.973 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 54.3 ttt85 -81.57 -54.46 5.4 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.268 -0.424 . . . . 26.85 110.616 -179.956 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 1.2 tp10 -59.87 -61.79 2.35 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.224 -0.444 . . . . 16.48 110.581 -179.983 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -46.79 -36.13 6.98 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.207 -0.452 . . . . 9.91 110.576 -179.95 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 89' ' ' PHE . . . . . 0.426 ' C ' ' CD2' ' A' ' 89' ' ' PHE . 27.1 t80 -69.54 -34.16 73.82 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.241 -0.436 . . . . 8.53 110.642 179.997 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 14.1 mtp-105 -73.96 -46.41 44.19 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.233 -0.44 . . . . 17.58 110.61 -179.935 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 91' ' ' VAL . . . . . 0.432 ' CG2' HE22 ' A' ' 41' ' ' GLN . 33.8 t -49.99 -17.3 0.43 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.235 -0.439 . . . . 7.82 110.552 -179.847 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 92' ' ' PHE . . . . . . . . . . . . . 6.2 m-85 -95.41 -42.87 8.27 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.234 -0.439 . . . . 9.11 110.491 179.901 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 93' ' ' ASP . . . . . 0.533 ' CG ' ' O ' ' A' ' 99' ' ' TYR . 43.6 t0 -98.12 69.33 2.02 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.142 -0.481 . . . . 11.11 110.584 180.0 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 94' ' ' LYS . . . . . 0.433 ' HZ2' ' HB2' ' A' ' 94' ' ' LYS . 2.2 mtmp? -47.28 -18.47 0.11 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.213 -0.449 . . . . 14.57 111.056 -179.721 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 95' ' ' ASP . . . . . 0.484 ' OD1' ' OE1' ' A' ' 104' ' ' GLU . 0.9 OUTLIER -75.09 -11.52 60.11 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.868 0.366 . . . . 10.2 110.72 -179.72 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 96' ' ' GLY . . . . . 0.438 ' C ' ' H ' ' A' ' 98' ' ' GLY . . . 60.22 9.64 12.43 Favored Glycine 0 CA--C 1.525 0.671 0 N-CA-C 110.974 -0.85 . . . . 6.24 110.974 179.991 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 97' ' ' ASN . . . . . 0.679 ' O ' ' CE1' ' A' ' 99' ' ' TYR . 30.8 m120 -68.79 2.57 2.46 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.841 0.353 . . . . 7.56 110.439 179.89 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 98' ' ' GLY . . . . . 0.47 ' C ' ' CD2' ' A' ' 99' ' ' TYR . . . 64.95 9.55 40.99 Favored Glycine 0 CA--C 1.525 0.701 0 N-CA-C 110.964 -0.855 . . . . 7.08 110.964 179.962 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 99' ' ' TYR . . . . . 0.679 ' CE1' ' O ' ' A' ' 97' ' ' ASN . 1.3 m-85 -129.11 145.16 51.35 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.815 0.34 . . . . 9.0 110.677 179.998 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 81.0 mt -122.04 108.44 21.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.192 -0.458 . . . . 9.29 110.476 179.946 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 101' ' ' SER . . . . . 0.407 ' HA ' ' CB ' ' A' ' 135' ' ' GLN . 0.4 OUTLIER -90.46 151.63 21.31 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.271 -0.422 . . . . 7.02 110.703 -179.955 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -46.66 -38.74 10.18 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.08 -0.509 . . . . 6.41 110.621 -179.966 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -53.44 -59.98 3.88 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.25 -0.432 . . . . 5.01 110.635 -179.99 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 104' ' ' GLU . . . . . 0.484 ' OE1' ' OD1' ' A' ' 95' ' ' ASP . 14.3 mt-10 -60.84 -51.78 67.88 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.213 -0.449 . . . . 6.84 110.611 -179.971 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 105' ' ' LEU . . . . . . . . . . . . . 3.3 tp -47.71 -45.69 28.89 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.192 -0.458 . . . . 4.99 110.57 -179.941 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 106' ' ' ARG . . . . . 0.57 ' O ' ' OG1' ' A' ' 110' ' ' THR . 0.6 OUTLIER -70.59 -16.2 62.83 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.204 -0.453 . . . . 15.24 110.543 -179.964 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 107' ' ' HIS . . . . . 0.425 ' N ' ' O ' ' A' ' 104' ' ' GLU . 32.2 t-80 -80.52 -48.44 12.77 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.236 -0.438 . . . . 15.69 110.597 -179.949 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 108' ' ' VAL . . . . . . . . . . . . . 32.9 t -75.78 -26.11 17.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.198 -0.455 . . . . 12.28 110.623 -179.962 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 109' ' ' MET . . . . . . . . . . . . . 4.5 mmt -78.48 -17.81 55.75 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.186 -0.461 . . . . 9.53 110.591 -179.957 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 110' ' ' THR . . . . . 0.57 ' OG1' ' O ' ' A' ' 106' ' ' ARG . 97.5 m -82.34 -40.57 21.22 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.207 -0.452 . . . . 11.87 110.605 -179.933 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 111' ' ' ASN . . . . . . . . . . . . . 48.5 t-20 -76.7 -18.14 58.7 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.269 -0.423 . . . . 21.65 110.497 -179.996 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -50.1 -26.24 4.27 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.196 -0.456 . . . . 19.55 110.572 179.989 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . 115.09 -2.22 22.61 Favored Glycine 0 CA--C 1.525 0.699 0 N-CA-C 110.864 -0.895 . . . . 19.66 110.864 -179.985 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 114' ' ' GLU . . . . . 0.471 ' OE1' ' N ' ' A' ' 114' ' ' GLU . 4.3 mp0 -124.3 123.48 40.31 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.664 0.269 . . . . 25.55 110.476 179.861 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 1.5 tptp -78.79 115.7 18.65 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.362 -0.381 . . . . 23.26 110.51 -179.91 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 116' ' ' LEU . . . . . 0.6 ' CD2' ' OE1' ' A' ' 120' ' ' GLU . 1.2 mt -109.17 158.83 17.43 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.169 -0.469 . . . . 23.07 110.535 -179.999 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 117' ' ' THR . . . . . . . . . . . . . 30.3 p -89.55 150.29 22.5 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.254 -0.43 . . . . 19.41 110.531 179.994 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 118' ' ' ASP . . . . . . . . . . . . . 49.8 t0 -70.67 -25.78 63.14 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.212 -0.449 . . . . 18.08 110.584 179.967 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 119' ' ' GLU . . . . . 0.51 ' N ' ' CD ' ' A' ' 119' ' ' GLU . 0.2 OUTLIER -68.56 -45.04 73.18 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.185 -0.461 . . . . 20.16 110.575 179.969 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 120' ' ' GLU . . . . . 0.6 ' OE1' ' CD2' ' A' ' 116' ' ' LEU . 65.3 tt0 -67.8 -33.57 75.06 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.213 -0.448 . . . . 14.19 110.524 -179.947 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 121' ' ' VAL . . . . . . . . . . . . . 68.9 t -75.85 -44.52 38.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.201 -0.454 . . . . 14.97 110.543 -179.999 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 122' ' ' ASP . . . . . . . . . . . . . 35.4 t0 -73.35 -42.59 62.06 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.213 -0.449 . . . . 20.12 110.539 179.999 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 123' ' ' GLU . . . . . 0.403 ' CB ' ' O ' ' A' ' 119' ' ' GLU . 39.0 tt0 -61.41 -35.92 78.89 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.24 -0.436 . . . . 15.72 110.577 179.989 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 124' ' ' MET . . . . . . . . . . . . . 34.8 ttp -66.91 -61.43 1.95 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.175 -0.466 . . . . 9.75 110.52 179.99 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 125' ' ' ILE . . . . . 0.515 ' O ' ' CB ' ' A' ' 129' ' ' ASP . 60.8 mt -56.83 -44.34 81.78 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.23 -0.441 . . . . 11.99 110.573 179.954 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 126' ' ' ARG . . . . . . . . . . . . . 8.9 tpt180 -55.08 -23.13 18.86 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.153 -0.476 . . . . 27.23 110.538 179.973 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 127' ' ' GLU . . . . . . . . . . . . . 20.3 tt0 -88.91 -54.66 4.03 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.193 -0.458 . . . . 15.5 110.536 -179.988 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 128' ' ' ALA . . . . . . . . . . . . . . . -70.86 -21.43 62.42 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.201 -0.454 . . . . 10.5 110.508 179.989 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 129' ' ' ASP . . . . . 0.619 ' OD1' ' N ' ' A' ' 132' ' ' GLY . 50.7 t0 -75.39 92.79 2.84 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.164 -0.471 . . . . 10.86 110.513 179.973 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 130' ' ' ILE . . . . . . . . . . . . . 2.2 mt -48.85 -40.5 12.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.181 -0.463 . . . . 12.26 110.637 -179.914 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 131' ' ' ASP . . . . . 0.425 ' CB ' ' OD2' ' A' ' 133' ' ' ASP . 60.3 m-20 -83.34 -17.96 40.58 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.291 -0.413 . . . . 7.79 110.648 -179.881 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 132' ' ' GLY . . . . . 0.619 ' N ' ' OD1' ' A' ' 129' ' ' ASP . . . 52.81 54.43 28.33 Favored Glycine 0 CA--C 1.524 0.635 0 N-CA-C 110.946 -0.861 . . . . 3.93 110.946 -179.928 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 133' ' ' ASP . . . . . 0.512 ' OD2' ' N ' ' A' ' 133' ' ' ASP . 0.0 OUTLIER -100.93 -12.5 18.9 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.799 0.333 . . . . 9.56 110.66 -179.979 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 134' ' ' GLY . . . . . . . . . . . . . . . 105.04 8.85 35.59 Favored Glycine 0 CA--C 1.524 0.63 0 N-CA-C 110.971 -0.852 . . . . 7.32 110.971 -179.98 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 135' ' ' GLN . . . . . 0.407 ' CB ' ' HA ' ' A' ' 101' ' ' SER . 4.0 pt20 -146.14 166.19 26.92 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.753 0.311 . . . . 22.05 110.441 179.935 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 136' ' ' VAL . . . . . . . . . . . . . 38.6 t -121.77 100.14 8.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.323 -0.399 . . . . 10.34 110.634 179.999 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 137' ' ' ASN . . . . . . . . . . . . . 3.3 m120 -67.88 159.85 29.64 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.083 -0.508 . . . . 12.02 110.629 -179.987 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 138' ' ' TYR . . . . . . . . . . . . . 33.5 t80 -52.51 -37.34 57.23 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.246 -0.434 . . . . 8.75 110.513 179.982 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 139' ' ' GLU . . . . . . . . . . . . . 1.6 tm-20 -57.55 -37.59 73.35 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.168 -0.469 . . . . 22.33 110.52 -179.968 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 140' ' ' GLU . . . . . . . . . . . . . 1.9 mt-10 -65.09 -39.64 93.48 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.204 -0.453 . . . . 13.45 110.544 179.988 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 141' ' ' PHE . . . . . . . . . . . . . 2.1 m-85 -51.89 -56.91 11.22 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.163 -0.472 . . . . 8.25 110.515 179.889 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 142' ' ' VAL . . . . . 0.44 ' O ' ' CG ' ' A' ' 145' ' ' MET . 71.4 t -52.48 -23.26 4.42 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.164 -0.471 . . . . 10.15 110.49 179.95 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 143' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER -70.03 -46.87 64.13 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.185 -0.462 . . . . 8.24 110.494 179.904 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 144' ' ' MET . . . . . . . . . . . . . 5.0 ttt -48.71 -24.73 1.48 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.138 -0.483 . . . . 6.68 110.523 -179.943 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 145' ' ' MET . . . . . 0.44 ' CG ' ' O ' ' A' ' 142' ' ' VAL . 16.8 ptp . . . . . 0 C--N 1.329 -0.309 0 CA-C-N 116.229 -0.441 . . . . 13.37 110.548 179.864 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 37.0 tt0 . . . . . 0 C--O 1.231 0.089 0 CA-C-O 120.799 0.333 . . . . 23.46 110.577 . . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 1.2 tp -77.56 126.96 31.7 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.219 -0.446 . . . . 14.38 110.554 179.987 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 5' ' ' THR . . . . . 0.467 ' OG1' ' NE2' ' A' ' 8' ' ' GLN . 69.5 p -72.64 151.39 42.31 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.181 -0.463 . . . . 7.34 110.57 -179.974 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 6' ' ' GLU . . . . . 0.467 ' HG2' ' H ' ' A' ' 7' ' ' GLU . 1.0 OUTLIER -49.05 -44.12 41.43 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.227 -0.442 . . . . 7.12 110.525 179.969 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 7' ' ' GLU . . . . . 0.535 ' C ' ' OE1' ' A' ' 8' ' ' GLN . 25.1 mt-10 -53.16 -28.28 25.47 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.223 -0.444 . . . . 6.85 110.528 179.997 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 8' ' ' GLN . . . . . 0.545 ' OE1' ' N ' ' A' ' 8' ' ' GLN . 0.8 OUTLIER -90.69 -51.69 5.25 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.165 -0.47 . . . . 15.1 110.653 179.975 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 76.8 mt -48.68 -31.18 3.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.193 -0.458 . . . . 4.72 110.553 179.98 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -78.11 -59.45 2.77 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.248 -0.433 . . . . 6.68 110.551 -179.924 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 11.3 tm-20 -44.06 -32.13 1.1 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.265 -0.425 . . . . 18.49 110.613 -179.935 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 12' ' ' PHE . . . . . 0.46 ' CD2' HD23 ' A' ' 69' ' ' LEU . 8.0 m-85 -75.13 -50.06 17.56 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.193 -0.458 . . . . 14.89 110.595 179.941 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 1.7 tmtt? -46.95 -35.17 6.22 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.185 -0.462 . . . . 18.39 110.45 179.991 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 9.6 mm-40 -61.96 -48.91 78.26 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.185 -0.461 . . . . 22.76 110.511 179.988 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 15' ' ' ALA . . . . . 0.48 ' O ' ' CB ' ' A' ' 18' ' ' LEU . . . -45.82 -51.55 12.69 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.176 -0.466 . . . . 5.67 110.574 179.92 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 16' ' ' PHE . . . . . 0.429 ' O ' ' N ' ' A' ' 19' ' ' PHE . 0.1 OUTLIER -42.8 -60.17 1.68 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.153 -0.476 . . . . 13.28 110.416 179.995 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 66.7 m -45.33 -21.44 0.09 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.145 -0.479 . . . . 12.16 110.492 179.998 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 18' ' ' LEU . . . . . 0.48 ' CB ' ' O ' ' A' ' 15' ' ' ALA . 10.2 tp -75.71 -39.01 58.09 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.157 -0.474 . . . . 17.89 110.522 179.971 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 19' ' ' PHE . . . . . 0.429 ' N ' ' O ' ' A' ' 16' ' ' PHE . 52.9 m-85 -90.03 -50.32 6.08 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.252 -0.431 . . . . 9.14 110.515 -179.957 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 1.7 m-20 -72.98 68.19 0.9 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.24 -0.436 . . . . 7.47 110.575 179.994 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 4.8 ttpt -60.85 -19.65 60.41 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.098 -0.501 . . . . 27.75 110.62 -179.952 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 22' ' ' ASP . . . . . 0.511 ' OD1' ' OE2' ' A' ' 31' ' ' GLU . 8.5 m-20 -95.09 -15.26 23.53 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.242 -0.435 . . . . 14.13 110.6 -179.914 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 63.12 37.76 95.45 Favored Glycine 0 CA--C 1.526 0.727 0 N-CA-C 110.909 -0.877 . . . . 11.51 110.909 179.987 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 31.2 m-20 -79.78 -29.83 40.48 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.788 0.327 . . . . 14.28 110.588 -179.989 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 105.18 5.61 40.29 Favored Glycine 0 CA--C 1.525 0.671 0 N-CA-C 110.918 -0.873 . . . . 9.47 110.918 -179.939 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 4.3 p -148.66 143.32 26.42 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.801 0.334 . . . . 16.41 110.576 -179.987 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 1.3 mt -107.86 125.15 64.39 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.21 -0.45 . . . . 8.03 110.535 179.995 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 1.5 p -107.32 170.69 7.81 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.19 -0.459 . . . . 7.8 110.558 -179.989 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 1.3 m -70.46 -19.53 62.95 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.183 -0.462 . . . . 10.04 110.548 -179.962 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 32.6 tptt -74.68 -35.49 62.79 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.22 -0.446 . . . . 16.38 110.623 -179.98 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 31' ' ' GLU . . . . . 0.511 ' OE2' ' OD1' ' A' ' 22' ' ' ASP . 30.7 mt-10 -85.32 -28.65 25.1 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.219 -0.446 . . . . 5.59 110.57 -180.0 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -64.61 -59.87 3.79 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.18 -0.464 . . . . 7.72 110.573 -179.95 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 33' ' ' GLY . . . . . 0.53 ' O ' ' N ' ' A' ' 37' ' ' ARG . . . -57.26 -48.75 77.85 Favored Glycine 0 CA--C 1.525 0.661 0 N-CA-C 110.913 -0.875 . . . . 6.93 110.913 179.979 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 97.7 m -49.48 -43.76 45.42 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.804 0.335 . . . . 9.63 110.506 179.984 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 72.8 t -71.9 -38.18 63.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.206 -0.452 . . . . 7.07 110.557 -179.993 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 36' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -77.0 -22.36 53.23 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.184 -0.462 . . . . 10.12 110.559 179.995 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 37' ' ' ARG . . . . . 0.53 ' N ' ' O ' ' A' ' 33' ' ' GLY . 36.8 ttm180 -72.54 -31.44 65.3 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.169 -0.469 . . . . 9.87 110.602 179.995 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 32.8 t -85.73 -14.47 45.19 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.225 -0.443 . . . . 8.15 110.611 179.947 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 4.1 mp -80.98 8.09 9.22 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.175 -0.466 . . . . 12.78 110.585 179.962 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 87.14 5.44 80.21 Favored Glycine 0 CA--C 1.525 0.702 0 N-CA-C 110.912 -0.875 . . . . 9.6 110.912 179.955 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 3.0 mm-40 -99.91 151.27 21.51 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.748 0.309 . . . . 20.35 110.6 -179.958 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 49.8 m-20 -131.98 80.03 65.89 Favored Pre-proline 0 C--N 1.328 -0.332 0 CA-C-N 116.226 -0.443 . . . . 10.22 110.543 179.933 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 60.5 Cg_endo -78.13 150.6 26.28 Favored 'Trans proline' 0 C--N 1.306 -1.689 0 C-N-CA 122.792 2.328 . . . . 8.63 112.24 -179.91 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 44' ' ' THR . . . . . 0.52 ' O ' ' N ' ' A' ' 47' ' ' GLU . 66.5 m -98.94 152.19 20.05 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.148 -0.478 . . . . 4.83 110.56 179.896 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 16.6 mt-10 -45.43 -32.17 2.02 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.258 -0.428 . . . . 16.78 110.532 -179.939 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -73.63 -26.62 60.86 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.197 -0.456 . . . . 4.8 110.534 179.991 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 47' ' ' GLU . . . . . 0.52 ' N ' ' O ' ' A' ' 44' ' ' THR . 52.0 tt0 -78.55 -60.76 2.24 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.225 -0.443 . . . . 6.18 110.585 -179.997 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 68.8 mt -50.21 -49.5 52.54 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.195 -0.457 . . . . 6.65 110.559 179.968 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 19.3 tt0 -49.56 -43.72 46.2 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.177 -0.465 . . . . 7.05 110.558 -179.999 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 11.8 t70 -73.37 -28.42 62.02 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.228 -0.442 . . . . 6.72 110.546 179.993 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 51' ' ' MET . . . . . . . . . . . . . 26.2 ttm -69.52 -59.95 2.65 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.234 -0.439 . . . . 13.6 110.564 179.965 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 52' ' ' ILE . . . . . 0.486 HG21 HD12 ' A' ' 52' ' ' ILE . 36.2 mm -49.0 -47.21 16.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.212 -0.449 . . . . 8.71 110.579 179.965 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 8.9 m-20 -48.82 -46.5 42.03 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.246 -0.434 . . . . 9.04 110.522 179.942 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -51.18 -37.0 43.97 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.21 -0.45 . . . . 23.58 110.547 -179.909 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 19.0 t -93.67 -18.73 6.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.236 -0.438 . . . . 7.6 110.533 179.997 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 56' ' ' ASP . . . . . 0.576 ' OD1' ' OD1' ' A' ' 60' ' ' ASP . 40.8 t0 -107.61 92.07 3.92 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.165 -0.47 . . . . 12.55 110.582 179.993 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -82.69 -31.64 28.48 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.213 -0.449 . . . . 15.13 110.6 -179.96 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -80.5 -10.16 59.75 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.192 -0.458 . . . . 14.32 110.603 179.966 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 61.45 47.78 88.74 Favored Glycine 0 CA--C 1.524 0.634 0 N-CA-C 110.989 -0.844 . . . . 13.64 110.989 -179.957 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 60' ' ' ASP . . . . . 0.652 ' N ' ' OD1' ' A' ' 60' ' ' ASP . 0.0 OUTLIER -87.57 -9.99 52.82 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.792 0.33 . . . . 13.27 110.564 -179.993 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 88.41 -3.73 85.3 Favored Glycine 0 CA--C 1.525 0.697 0 N-CA-C 110.885 -0.886 . . . . 11.65 110.885 -179.999 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 52.2 p -140.78 178.61 7.22 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.794 0.331 . . . . 11.55 110.591 -179.96 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 63' ' ' ILE . . . . . . . . . . . . . 98.6 mt -119.96 141.22 41.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.227 -0.442 . . . . 10.06 110.543 -179.983 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 64' ' ' ASP . . . . . 0.623 ' OD1' ' N ' ' A' ' 64' ' ' ASP . 0.0 OUTLIER -96.2 -178.86 4.46 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.215 -0.448 . . . . 11.33 110.541 179.961 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 65' ' ' PHE . . . . . 0.522 ' N ' ' HD2' ' A' ' 66' ' ' PRO . 3.0 t80 -85.03 -45.1 0.67 Allowed Pre-proline 0 CA--C 1.532 0.282 0 CA-C-N 116.288 -0.415 . . . . 7.4 111.217 -179.956 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 66' ' ' PRO . . . . . 0.522 ' HD2' ' N ' ' A' ' 65' ' ' PHE . 55.8 Cg_endo -74.7 -42.83 0.51 Allowed 'Trans proline' 0 N--CA 1.492 1.386 0 C-N-CA 122.021 1.814 . . . . 6.66 111.952 -179.946 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 67' ' ' GLU . . . . . 0.539 ' OE1' ' CG ' ' A' ' 64' ' ' ASP . 11.4 pt-20 -67.22 -19.0 65.48 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.226 -0.443 . . . . 7.44 110.26 179.688 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 68' ' ' PHE . . . . . . . . . . . . . 20.2 t80 -73.2 -25.12 60.64 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.018 -0.537 . . . . 8.58 110.384 179.871 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 69' ' ' LEU . . . . . 0.472 ' O ' ' N ' ' A' ' 73' ' ' ALA . 0.7 OUTLIER -83.24 -30.58 27.57 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.182 -0.463 . . . . 9.43 110.316 179.596 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 1.2 m -64.04 -55.18 24.11 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.123 -0.489 . . . . 7.53 110.586 -179.948 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 71' ' ' MET . . . . . 0.407 ' SD ' ' HG2' ' A' ' 72' ' ' MET . 0.0 OUTLIER -49.08 -44.78 42.29 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.191 -0.459 . . . . 11.86 110.561 179.979 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 72' ' ' MET . . . . . 0.407 ' HG2' ' SD ' ' A' ' 71' ' ' MET . 8.0 mmm -79.25 -40.69 29.96 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.221 -0.445 . . . . 22.32 110.654 -179.953 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 73' ' ' ALA . . . . . 0.472 ' N ' ' O ' ' A' ' 69' ' ' LEU . . . -64.54 -56.41 14.21 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.222 -0.445 . . . . 9.15 110.645 -179.955 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 12.8 ttt180 -45.27 -40.48 7.6 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.181 -0.463 . . . . 13.8 110.597 -179.996 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 30.8 tptt -51.58 -46.37 63.45 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.178 -0.464 . . . . 25.18 110.523 -179.973 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 76' ' ' MET . . . . . . . . . . . . . 59.7 mmm -60.99 -34.69 75.18 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.244 -0.434 . . . . 34.79 110.561 179.964 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 26.7 mtmm -94.65 39.92 1.09 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.216 -0.447 . . . . 37.65 110.58 -179.984 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 78' ' ' ASP . . . . . 0.442 ' CG ' ' H ' ' A' ' 79' ' ' THR . 28.2 t0 -158.07 -173.37 4.31 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.16 -0.473 . . . . 42.58 110.533 -179.978 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 79' ' ' THR . . . . . 0.442 ' H ' ' CG ' ' A' ' 78' ' ' ASP . 70.5 p -72.7 163.51 27.97 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.202 -0.454 . . . . 38.4 110.596 179.997 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 3.5 m-20 -123.01 147.19 46.93 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.207 -0.451 . . . . 37.51 110.573 -179.973 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 13.8 p -113.78 112.75 23.93 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.184 -0.462 . . . . 33.12 110.539 -179.989 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -59.89 -11.48 5.63 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.253 -0.431 . . . . 34.28 110.51 -179.98 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 83' ' ' GLU . . . . . 0.42 ' HG3' HH11 ' A' ' 86' ' ' ARG . 30.4 tt0 -62.7 -56.27 19.22 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.252 -0.431 . . . . 30.91 110.565 -179.959 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 82.2 mt-10 -60.27 -32.87 71.59 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.221 -0.445 . . . . 22.86 110.573 179.988 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 85' ' ' ILE . . . . . . . . . . . . . 8.1 mt -66.92 -20.48 27.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.231 -0.441 . . . . 19.17 110.569 -179.992 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 86' ' ' ARG . . . . . 0.42 HH11 ' HG3' ' A' ' 83' ' ' GLU . 40.0 mtm180 -82.41 -52.27 7.05 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.15 -0.477 . . . . 26.85 110.53 179.993 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 87' ' ' GLU . . . . . 0.443 ' HA ' ' NH2' ' A' ' 90' ' ' ARG . 4.0 tt0 -68.5 -54.66 15.43 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.174 -0.466 . . . . 16.48 110.561 180.0 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -48.52 -45.31 37.14 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.209 -0.45 . . . . 9.91 110.568 179.998 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 89' ' ' PHE . . . . . 0.499 ' C ' ' CD2' ' A' ' 89' ' ' PHE . 16.1 t80 -65.62 -29.97 70.62 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.239 -0.437 . . . . 8.53 110.584 179.975 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 90' ' ' ARG . . . . . 0.443 ' NH2' ' HA ' ' A' ' 87' ' ' GLU . 14.4 ttm105 -79.71 -18.92 50.13 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.18 -0.464 . . . . 17.58 110.585 179.95 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 91' ' ' VAL . . . . . . . . . . . . . 55.2 t -66.12 -26.52 38.41 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 116.192 -0.458 . . . . 7.82 110.589 -179.982 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 92' ' ' PHE . . . . . . . . . . . . . 86.6 m-85 -95.31 -41.43 9.03 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.161 -0.472 . . . . 9.11 110.702 179.986 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 93' ' ' ASP . . . . . 0.562 ' OD2' ' O ' ' A' ' 99' ' ' TYR . 7.4 t0 -80.36 68.82 6.66 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.198 -0.456 . . . . 11.11 110.655 -179.877 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 77.8 mttt -49.42 -19.02 0.46 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.222 -0.444 . . . . 14.57 111.122 -179.662 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 95' ' ' ASP . . . . . 0.572 ' OD1' ' OE1' ' A' ' 104' ' ' GLU . 1.8 m-20 -78.91 -13.87 59.55 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 120.857 0.36 . . . . 10.2 110.617 -179.918 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 96' ' ' GLY . . . . . 0.403 ' C ' ' H ' ' A' ' 98' ' ' GLY . . . 60.49 11.77 23.02 Favored Glycine 0 CA--C 1.525 0.66 0 N-CA-C 111.024 -0.83 . . . . 6.24 111.024 -179.869 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 97' ' ' ASN . . . . . 0.677 ' ND2' ' CE1' ' A' ' 99' ' ' TYR . 32.9 p-10 -73.85 5.84 3.78 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.894 0.378 . . . . 7.56 110.359 179.794 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 98' ' ' GLY . . . . . 0.46 ' O ' ' CZ ' ' A' ' 89' ' ' PHE . . . 67.31 -7.83 1.7 Allowed Glycine 0 CA--C 1.526 0.728 0 N-CA-C 110.979 -0.849 . . . . 7.08 110.979 179.883 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 99' ' ' TYR . . . . . 0.677 ' CE1' ' ND2' ' A' ' 97' ' ' ASN . 0.8 OUTLIER -129.77 141.04 50.93 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.842 0.354 . . . . 9.0 110.58 -179.993 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 12.8 mt -122.1 128.67 75.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.194 -0.457 . . . . 9.29 110.469 179.94 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 101' ' ' SER . . . . . 0.678 ' HG ' ' H ' ' A' ' 103' ' ' ALA . 5.2 p -91.91 151.53 20.49 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.276 -0.42 . . . . 7.02 110.675 -179.944 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -44.48 -19.31 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.069 -0.514 . . . . 6.41 110.652 -179.912 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 103' ' ' ALA . . . . . 0.678 ' H ' ' HG ' ' A' ' 101' ' ' SER . . . -73.38 -60.02 2.44 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.203 -0.453 . . . . 5.01 110.663 -179.918 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 104' ' ' GLU . . . . . 0.572 ' OE1' ' OD1' ' A' ' 95' ' ' ASP . 8.8 mt-10 -63.85 -42.48 97.56 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.204 -0.453 . . . . 6.84 110.597 -179.944 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 105' ' ' LEU . . . . . 0.435 ' C ' ' CD1' ' A' ' 105' ' ' LEU . 0.2 OUTLIER -47.61 -51.04 22.65 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.258 -0.428 . . . . 4.99 110.585 -179.958 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 106' ' ' ARG . . . . . 0.569 ' O ' ' OG1' ' A' ' 110' ' ' THR . 55.7 ttt-85 -69.17 -28.13 66.14 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.216 -0.447 . . . . 15.24 110.622 -179.969 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 107' ' ' HIS . . . . . . . . . . . . . 54.2 t-80 -61.04 -45.21 95.71 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.184 -0.462 . . . . 15.69 110.643 -179.981 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 108' ' ' VAL . . . . . . . . . . . . . 55.7 t -68.94 -62.63 1.19 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.164 -0.471 . . . . 12.28 110.673 179.999 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 109' ' ' MET . . . . . . . . . . . . . 3.3 mmt -55.75 -18.81 9.16 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.171 -0.468 . . . . 9.53 110.649 -179.948 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 110' ' ' THR . . . . . 0.569 ' OG1' ' O ' ' A' ' 106' ' ' ARG . 1.4 m -71.38 -50.27 33.82 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.28 -0.418 . . . . 11.87 110.689 -179.963 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 111' ' ' ASN . . . . . . . . . . . . . 21.3 t-20 -74.94 -14.75 60.67 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.291 -0.413 . . . . 21.65 110.62 -179.997 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -50.04 -24.75 2.84 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.196 -0.457 . . . . 19.55 110.517 -179.988 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . 115.35 -2.0 22.2 Favored Glycine 0 CA--C 1.525 0.678 0 N-CA-C 110.798 -0.921 . . . . 19.66 110.798 -179.912 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 22.6 mp0 -124.54 128.08 48.38 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.723 0.297 . . . . 25.55 110.393 179.691 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 2.0 tptp -85.79 116.94 24.35 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.412 -0.358 . . . . 23.26 110.572 -179.925 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 116' ' ' LEU . . . . . . . . . . . . . 10.2 mt -109.96 145.54 36.76 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.232 -0.44 . . . . 23.07 110.554 179.95 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 117' ' ' THR . . . . . . . . . . . . . 15.6 p -69.23 148.69 49.47 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.179 -0.464 . . . . 19.41 110.588 179.975 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 118' ' ' ASP . . . . . . . . . . . . . 9.3 p-10 -74.71 -42.23 58.73 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.213 -0.449 . . . . 18.08 110.572 179.944 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 119' ' ' GLU . . . . . . . . . . . . . 44.8 mt-10 -58.25 -27.69 64.22 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.197 -0.456 . . . . 20.16 110.596 179.991 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 120' ' ' GLU . . . . . . . . . . . . . 1.2 tp10 -82.28 -36.59 26.91 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.174 -0.466 . . . . 14.19 110.545 -179.962 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 121' ' ' VAL . . . . . . . . . . . . . 93.3 t -70.34 -43.55 78.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.24 -0.436 . . . . 14.97 110.57 179.978 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 122' ' ' ASP . . . . . . . . . . . . . 1.1 t70 -68.04 -51.89 41.67 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.214 -0.448 . . . . 20.12 110.563 179.997 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 123' ' ' GLU . . . . . . . . . . . . . 50.2 tp10 -53.23 -56.03 19.74 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.197 -0.456 . . . . 15.72 110.595 -179.971 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 124' ' ' MET . . . . . . . . . . . . . 10.6 mmt -48.52 -61.52 1.98 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.211 -0.449 . . . . 9.75 110.578 179.975 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 125' ' ' ILE . . . . . 0.426 ' C ' ' N ' ' A' ' 127' ' ' GLU . 21.0 mt -57.3 -53.82 38.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.144 -0.48 . . . . 11.99 110.566 -179.986 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 126' ' ' ARG . . . . . . . . . . . . . 69.3 ttt180 -46.06 -20.53 0.1 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.207 -0.451 . . . . 27.23 110.577 -179.986 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 127' ' ' GLU . . . . . 0.426 ' N ' ' C ' ' A' ' 125' ' ' ILE . 3.9 tt0 -81.85 -49.31 10.51 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.152 -0.476 . . . . 15.5 110.537 -179.969 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 128' ' ' ALA . . . . . . . . . . . . . . . -81.49 -12.89 58.7 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.237 -0.438 . . . . 10.5 110.579 179.994 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 129' ' ' ASP . . . . . 0.592 ' OD2' ' N ' ' A' ' 132' ' ' GLY . 37.1 t0 -72.19 92.78 1.39 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.194 -0.457 . . . . 10.86 110.594 179.975 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 130' ' ' ILE . . . . . . . . . . . . . 30.6 mt -49.53 -44.96 19.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.154 -0.475 . . . . 12.26 110.595 -179.973 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 131' ' ' ASP . . . . . 0.567 ' OD2' ' N ' ' A' ' 131' ' ' ASP . 0.1 OUTLIER -74.8 -17.77 60.57 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.171 -0.468 . . . . 7.79 110.622 -179.984 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 132' ' ' GLY . . . . . 0.592 ' N ' ' OD2' ' A' ' 129' ' ' ASP . . . 49.2 42.31 32.02 Favored Glycine 0 CA--C 1.524 0.635 0 N-CA-C 110.947 -0.861 . . . . 3.93 110.947 -179.97 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 133' ' ' ASP . . . . . 0.486 ' OD2' ' N ' ' A' ' 135' ' ' GLN . 12.9 p30 -100.12 -9.91 22.05 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.749 0.309 . . . . 9.56 110.575 179.972 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 134' ' ' GLY . . . . . . . . . . . . . . . 104.96 5.72 40.79 Favored Glycine 0 CA--C 1.524 0.649 0 N-CA-C 110.933 -0.867 . . . . 7.32 110.933 179.993 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 135' ' ' GLN . . . . . 0.546 ' O ' ' OD1' ' A' ' 129' ' ' ASP . 4.6 mp0 -136.68 157.78 45.98 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.824 0.345 . . . . 22.05 110.559 179.948 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 136' ' ' VAL . . . . . 0.417 HG12 ' N ' ' A' ' 137' ' ' ASN . 48.5 t -111.71 139.34 36.51 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.233 -0.44 . . . . 10.34 110.605 -179.972 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 137' ' ' ASN . . . . . 0.417 ' N ' HG12 ' A' ' 136' ' ' VAL . 14.6 m120 -109.78 159.53 17.11 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.146 -0.479 . . . . 12.02 110.355 179.649 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 138' ' ' TYR . . . . . . . . . . . . . 27.1 t80 -54.32 -31.34 53.99 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.381 -0.372 . . . . 8.75 110.497 179.919 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 139' ' ' GLU . . . . . . . . . . . . . 28.5 tt0 -64.32 -41.65 96.7 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.138 -0.483 . . . . 22.33 110.521 179.958 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 140' ' ' GLU . . . . . . . . . . . . . 2.2 mt-10 -61.48 -42.85 99.41 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.178 -0.465 . . . . 13.45 110.493 179.935 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 141' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER -50.18 -44.06 52.73 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.206 -0.452 . . . . 8.25 110.495 179.874 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 142' ' ' VAL . . . . . 0.656 ' O ' ' SD ' ' A' ' 145' ' ' MET . 6.4 t -59.26 -50.74 78.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.17 -0.468 . . . . 10.15 110.469 179.869 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 143' ' ' GLN . . . . . . . . . . . . . 30.8 mm-40 -43.33 -38.37 2.64 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.194 -0.457 . . . . 8.24 110.48 179.873 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 144' ' ' MET . . . . . . . . . . . . . 2.9 mmt -55.21 -43.64 74.64 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.175 -0.466 . . . . 6.68 110.506 179.941 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 145' ' ' MET . . . . . 0.656 ' SD ' ' O ' ' A' ' 142' ' ' VAL . 1.1 ppp? . . . . . 0 C--N 1.329 -0.305 0 CA-C-N 116.23 -0.441 . . . . 13.37 110.55 179.971 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 39.6 mm-40 . . . . . 0 C--O 1.23 0.072 0 CA-C-O 120.833 0.349 . . . . 23.46 110.571 . . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 1.1 tp -78.9 126.92 31.34 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.172 -0.467 . . . . 14.38 110.594 -179.973 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 8.3 m -75.92 155.19 35.4 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.192 -0.458 . . . . 7.34 110.591 -179.98 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 6' ' ' GLU . . . . . 0.458 ' HG3' ' H ' ' A' ' 7' ' ' GLU . 0.8 OUTLIER -52.54 -47.0 67.02 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.196 -0.456 . . . . 7.12 110.561 179.986 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 7' ' ' GLU . . . . . 0.458 ' H ' ' HG3' ' A' ' 6' ' ' GLU . 42.0 mt-10 -52.07 -27.28 13.32 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.187 -0.46 . . . . 6.85 110.551 179.995 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 30.1 mt-30 -90.71 -47.9 7.37 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.218 -0.446 . . . . 15.1 110.543 -179.953 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 69.3 mt -57.3 -32.32 40.58 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.208 -0.451 . . . . 4.72 110.555 -179.95 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -72.24 -59.46 2.72 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.197 -0.456 . . . . 6.68 110.557 -179.964 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 11.2 tp10 -45.49 -39.88 7.79 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.243 -0.435 . . . . 18.49 110.554 -179.946 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 12' ' ' PHE . . . . . 0.429 ' CG ' HD23 ' A' ' 69' ' ' LEU . 3.9 m-85 -63.46 -44.34 94.74 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.22 -0.445 . . . . 14.89 110.596 180.0 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 13.8 ttmm -47.93 -32.32 6.25 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.165 -0.47 . . . . 18.39 110.579 179.909 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -66.63 -51.43 56.4 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.197 -0.456 . . . . 22.76 110.592 179.989 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -45.05 -48.29 11.76 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.238 -0.437 . . . . 5.67 110.543 179.977 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -49.84 -60.23 3.1 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.165 -0.471 . . . . 13.28 110.49 179.984 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -47.34 -21.59 0.31 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.164 -0.471 . . . . 12.16 110.473 179.966 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -74.96 -37.54 61.93 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.155 -0.475 . . . . 17.89 110.507 179.927 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 47.3 m-85 -90.05 -50.21 6.14 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.225 -0.443 . . . . 9.14 110.589 179.953 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 20' ' ' ASP . . . . . 0.495 ' O ' ' N ' ' A' ' 23' ' ' GLY . 36.7 t0 -79.8 73.86 6.52 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.186 -0.461 . . . . 7.47 110.575 -179.989 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -48.39 -20.88 0.45 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.18 -0.464 . . . . 27.75 110.69 -179.957 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 32.4 m-20 -96.63 -15.32 21.58 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.284 -0.416 . . . . 14.13 110.577 -179.984 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 23' ' ' GLY . . . . . 0.495 ' N ' ' O ' ' A' ' 20' ' ' ASP . . . 55.74 34.87 61.4 Favored Glycine 0 CA--C 1.525 0.702 0 N-CA-C 110.93 -0.868 . . . . 11.51 110.93 -179.956 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 54.0 m-20 -70.8 -18.99 62.73 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.817 0.342 . . . . 14.28 110.666 179.98 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 105.18 2.64 41.72 Favored Glycine 0 CA--C 1.524 0.646 0 N-CA-C 110.92 -0.872 . . . . 9.47 110.92 179.995 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 57.9 p -145.87 138.36 25.58 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.86 0.362 . . . . 16.41 110.552 -179.992 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 27' ' ' ILE . . . . . 0.439 HD13 HG21 ' A' ' 27' ' ' ILE . 88.3 mt -98.63 125.7 51.95 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.188 -0.46 . . . . 8.03 110.578 179.971 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 28' ' ' THR . . . . . 0.427 ' HG1' ' H ' ' A' ' 31' ' ' GLU . 11.8 p -100.45 175.35 5.72 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.177 -0.465 . . . . 7.8 110.58 -179.94 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 8.3 m -78.34 -37.99 43.19 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.174 -0.466 . . . . 10.04 110.541 -179.94 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 23.3 tttp -65.24 -32.2 73.75 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.246 -0.434 . . . . 16.38 110.603 -179.917 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 31' ' ' GLU . . . . . 0.427 ' H ' ' HG1' ' A' ' 28' ' ' THR . 4.9 mt-10 -78.48 -31.41 47.8 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.221 -0.445 . . . . 5.59 110.501 -179.95 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 1.8 tp -64.15 -59.85 3.93 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.182 -0.463 . . . . 7.72 110.521 -179.993 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -44.58 -43.4 7.84 Favored Glycine 0 CA--C 1.525 0.683 0 N-CA-C 110.887 -0.885 . . . . 6.93 110.887 -179.995 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 6.7 m -52.2 -36.7 52.76 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.738 0.304 . . . . 9.63 110.478 179.986 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 35' ' ' VAL . . . . . 0.572 ' O ' ' OG ' ' A' ' 38' ' ' SER . 61.3 t -60.19 -55.81 21.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.243 -0.435 . . . . 7.07 110.574 179.977 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 36' ' ' MET . . . . . 0.44 ' CG ' ' NE2' ' A' ' 41' ' ' GLN . 0.0 OUTLIER -59.31 -34.08 71.88 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.225 -0.443 . . . . 10.12 110.508 179.96 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 37' ' ' ARG . . . . . 0.441 ' NH2' ' HG2' ' A' ' 37' ' ' ARG . 29.5 ttt-85 -55.16 -31.24 61.2 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.208 -0.451 . . . . 9.87 110.537 179.999 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 38' ' ' SER . . . . . 0.572 ' OG ' ' O ' ' A' ' 35' ' ' VAL . 53.4 p -80.57 -18.22 49.01 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.213 -0.449 . . . . 8.15 110.505 179.912 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 85.8 mt -90.45 12.41 18.64 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.171 -0.468 . . . . 12.78 110.515 -179.995 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 64.33 27.13 71.2 Favored Glycine 0 CA--C 1.525 0.69 0 N-CA-C 110.911 -0.875 . . . . 9.6 110.911 179.984 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 41' ' ' GLN . . . . . 0.44 ' NE2' ' CG ' ' A' ' 36' ' ' MET . 1.6 tt0 -102.96 155.58 18.26 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.84 0.352 . . . . 20.35 110.621 -179.976 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 42' ' ' ASN . . . . . 0.418 ' ND2' ' N ' ' A' ' 42' ' ' ASN . 0.0 OUTLIER -131.17 80.09 69.35 Favored Pre-proline 0 C--N 1.328 -0.332 0 CA-C-N 116.193 -0.458 . . . . 10.22 110.487 179.976 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 59.2 Cg_endo -77.71 153.51 29.98 Favored 'Trans proline' 0 C--N 1.306 -1.659 0 C-N-CA 122.777 2.318 . . . . 8.63 112.254 -179.801 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 34.4 p -84.48 151.54 24.55 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.073 -0.512 . . . . 4.83 110.588 179.943 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 16.5 mt-10 -53.08 -31.43 41.75 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.223 -0.444 . . . . 16.78 110.578 -179.998 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -75.38 -43.31 50.89 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.173 -0.467 . . . . 4.8 110.546 -179.984 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 14.2 mm-40 -54.83 -60.86 2.78 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.193 -0.458 . . . . 6.18 110.49 -179.965 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 3.2 tp -52.37 -48.84 65.34 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.229 -0.442 . . . . 6.65 110.576 179.983 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 2.1 tt0 -54.48 -46.59 73.43 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.169 -0.468 . . . . 7.05 110.537 179.971 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 6.7 m-20 -66.49 -26.05 66.99 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.22 -0.446 . . . . 6.72 110.577 179.979 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 51' ' ' MET . . . . . 0.571 ' SD ' ' C ' ' A' ' 51' ' ' MET . 0.1 OUTLIER -70.18 -56.92 5.62 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.161 -0.472 . . . . 13.6 110.555 179.949 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 3.9 mm -49.02 -42.31 14.32 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.193 -0.458 . . . . 8.71 110.514 -179.996 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -50.98 -46.85 61.45 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.253 -0.431 . . . . 9.04 110.507 179.962 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 2.7 tt0 -51.2 -37.39 46.42 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.217 -0.447 . . . . 23.58 110.576 -179.982 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 21.6 t -91.02 -17.49 7.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.18 -0.464 . . . . 7.6 110.589 179.99 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 56' ' ' ASP . . . . . 0.521 ' OD1' ' O ' ' A' ' 62' ' ' THR . 1.4 t70 -100.69 84.6 2.76 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.168 -0.469 . . . . 12.55 110.559 179.99 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -78.2 -28.76 48.1 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.166 -0.47 . . . . 15.13 110.603 179.99 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 58' ' ' ASP . . . . . 0.466 ' OD2' ' OE2' ' A' ' 67' ' ' GLU . 1.1 m-20 -85.34 -10.61 56.14 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.213 -0.449 . . . . 14.32 110.509 -179.978 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 59.14 35.06 82.51 Favored Glycine 0 CA--C 1.524 0.62 0 N-CA-C 110.951 -0.86 . . . . 13.64 110.951 -179.965 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 60' ' ' ASP . . . . . 0.524 ' OD2' ' OG1' ' A' ' 62' ' ' THR . 12.3 p-10 -83.69 -15.45 48.71 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.826 0.346 . . . . 13.27 110.535 -179.955 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 90.96 13.22 59.38 Favored Glycine 0 CA--C 1.525 0.678 0 N-CA-C 110.925 -0.87 . . . . 11.65 110.925 179.971 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 62' ' ' THR . . . . . 0.524 ' OG1' ' OD2' ' A' ' 60' ' ' ASP . 3.2 p -152.71 165.23 35.95 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.789 0.328 . . . . 11.55 110.569 -179.954 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 63' ' ' ILE . . . . . . . . . . . . . 68.2 mt -115.75 141.41 33.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.175 -0.466 . . . . 10.06 110.539 -179.959 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 64' ' ' ASP . . . . . 0.506 ' OD1' ' OE1' ' A' ' 67' ' ' GLU . 7.3 m-20 -106.87 -174.53 2.56 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.202 -0.454 . . . . 11.33 110.635 -179.885 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 65' ' ' PHE . . . . . 0.505 ' N ' ' HD2' ' A' ' 66' ' ' PRO . 0.1 OUTLIER -74.73 -49.48 4.63 Favored Pre-proline 0 C--N 1.33 -0.254 0 CA-C-N 116.163 -0.471 . . . . 7.4 111.171 -179.912 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 66' ' ' PRO . . . . . 0.505 ' HD2' ' N ' ' A' ' 65' ' ' PHE . 46.7 Cg_endo -73.9 -16.93 22.97 Favored 'Trans proline' 0 C--N 1.309 -1.507 0 C-N-CA 122.251 1.968 . . . . 6.66 112.051 -179.79 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 67' ' ' GLU . . . . . 0.506 ' OE1' ' OD1' ' A' ' 64' ' ' ASP . 43.5 mt-10 -91.66 -24.74 19.42 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.121 -0.49 . . . . 7.44 110.363 179.782 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 68' ' ' PHE . . . . . . . . . . . . . 10.8 t80 -82.83 -28.45 30.16 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.101 -0.499 . . . . 8.58 110.713 -179.949 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 69' ' ' LEU . . . . . 0.445 ' O ' ' N ' ' A' ' 73' ' ' ALA . 0.7 OUTLIER -83.95 -36.94 22.89 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.289 -0.414 . . . . 9.43 110.354 179.537 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 70' ' ' THR . . . . . 0.456 ' O ' ' N ' ' A' ' 74' ' ' ARG . 0.1 OUTLIER -54.96 -57.86 9.96 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.061 -0.518 . . . . 7.53 110.593 -179.983 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 71' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -47.86 -37.42 13.9 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.195 -0.457 . . . . 11.86 110.446 -179.973 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 72' ' ' MET . . . . . . . . . . . . . 2.0 mmt -83.19 -34.92 25.83 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.179 -0.464 . . . . 22.32 110.645 179.994 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 73' ' ' ALA . . . . . 0.445 ' N ' ' O ' ' A' ' 69' ' ' LEU . . . -75.45 -56.45 4.69 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.244 -0.435 . . . . 9.15 110.655 -179.979 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 74' ' ' ARG . . . . . 0.513 ' CG ' ' N ' ' A' ' 75' ' ' LYS . 8.6 ptm180 -45.26 -44.0 10.9 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.218 -0.446 . . . . 13.8 110.516 -179.997 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 75' ' ' LYS . . . . . 0.513 ' N ' ' CG ' ' A' ' 74' ' ' ARG . 21.3 mttt -51.63 -45.49 63.32 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.198 -0.455 . . . . 25.18 110.54 179.998 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 76' ' ' MET . . . . . . . . . . . . . 6.2 tpt -53.94 -38.34 64.81 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.245 -0.434 . . . . 34.79 110.583 179.942 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 77' ' ' LYS . . . . . 0.563 ' O ' ' OD1' ' A' ' 78' ' ' ASP . 21.6 tttt -95.76 40.0 1.12 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.195 -0.457 . . . . 37.65 110.584 -179.972 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 78' ' ' ASP . . . . . 0.563 ' OD1' ' O ' ' A' ' 77' ' ' LYS . 1.2 m-20 -155.94 -177.36 6.51 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.222 -0.445 . . . . 42.58 110.548 -179.971 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -72.18 161.37 30.97 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.194 -0.457 . . . . 38.4 110.515 179.955 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 22.3 t70 -122.0 146.76 46.85 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.189 -0.459 . . . . 37.51 110.575 179.993 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 58.6 m -111.81 121.18 44.37 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.147 -0.479 . . . . 33.12 110.577 -179.979 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 82' ' ' GLU . . . . . 0.652 ' N ' ' OE2' ' A' ' 82' ' ' GLU . 1.0 OUTLIER -66.92 -10.32 47.54 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.231 -0.441 . . . . 34.28 110.573 -179.992 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 34.9 mt-10 -57.31 -34.18 68.46 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.226 -0.443 . . . . 30.91 110.591 -179.997 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -83.07 -45.34 14.13 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.219 -0.446 . . . . 22.86 110.598 -179.971 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 85' ' ' ILE . . . . . . . . . . . . . 86.0 mt -50.77 -33.89 12.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.189 -0.46 . . . . 19.17 110.659 -179.965 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 86' ' ' ARG . . . . . 0.453 ' HG3' ' N ' ' A' ' 87' ' ' GLU . 4.5 ptm180 -83.5 -53.36 5.75 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.223 -0.444 . . . . 26.85 110.616 -179.985 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 87' ' ' GLU . . . . . 0.504 ' O ' ' CG2' ' A' ' 91' ' ' VAL . 3.2 tt0 -58.29 -40.01 80.84 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.212 -0.449 . . . . 16.48 110.656 -179.94 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -71.98 -30.08 64.9 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.23 -0.441 . . . . 9.91 110.678 -179.958 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 89' ' ' PHE . . . . . 0.432 ' C ' ' CD2' ' A' ' 89' ' ' PHE . 23.5 t80 -73.63 -45.54 52.24 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.239 -0.437 . . . . 8.53 110.633 -179.969 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 8.5 ptt180 -73.34 -18.85 61.14 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.239 -0.437 . . . . 17.58 110.517 -179.948 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 91' ' ' VAL . . . . . 0.504 ' CG2' ' O ' ' A' ' 87' ' ' GLU . 4.6 t -65.29 -27.09 41.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.161 -0.472 . . . . 7.82 110.596 -179.971 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 92' ' ' PHE . . . . . . . . . . . . . 8.9 m-85 -95.32 -50.51 4.99 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.264 -0.425 . . . . 9.11 110.721 -179.95 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 93' ' ' ASP . . . . . 0.638 ' OD2' ' ND2' ' A' ' 97' ' ' ASN . 16.2 t0 -68.96 68.82 0.17 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.222 -0.444 . . . . 11.11 110.622 -179.923 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -48.77 -18.56 0.28 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.184 -0.462 . . . . 14.57 111.165 -179.659 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 95' ' ' ASP . . . . . 0.496 ' CB ' ' ND2' ' A' ' 97' ' ' ASN . 5.5 m-20 -77.56 -12.53 59.97 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-O 120.867 0.365 . . . . 10.2 110.647 -179.857 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 96' ' ' GLY . . . . . 0.425 ' C ' ' H ' ' A' ' 98' ' ' GLY . . . 60.12 9.66 12.1 Favored Glycine 0 CA--C 1.524 0.652 0 N-CA-C 111.048 -0.821 . . . . 6.24 111.048 -179.953 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 97' ' ' ASN . . . . . 0.794 HD21 ' H ' ' A' ' 97' ' ' ASN . 0.2 OUTLIER -69.68 2.32 3.38 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.886 0.374 . . . . 7.56 110.436 179.841 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 98' ' ' GLY . . . . . 0.455 ' C ' ' CD2' ' A' ' 99' ' ' TYR . . . 64.88 10.92 48.5 Favored Glycine 0 CA--C 1.524 0.622 0 N-CA-C 111.012 -0.835 . . . . 7.08 111.012 179.982 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 99' ' ' TYR . . . . . 0.664 ' CE1' ' O ' ' A' ' 97' ' ' ASN . 2.0 m-85 -130.31 136.59 49.3 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.81 0.338 . . . . 9.0 110.572 179.94 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 28.5 mt -116.18 107.46 22.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.17 -0.468 . . . . 9.29 110.554 -179.991 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -87.94 151.69 22.62 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.261 -0.427 . . . . 7.02 110.655 -179.88 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -50.99 -24.17 3.49 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.137 -0.483 . . . . 6.41 110.677 -179.947 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -64.14 -60.02 3.73 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.193 -0.458 . . . . 5.01 110.612 -179.892 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 104' ' ' GLU . . . . . 0.577 ' OE1' ' OD1' ' A' ' 93' ' ' ASP . 4.8 pt-20 -69.77 -24.8 63.56 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.19 -0.459 . . . . 6.84 110.649 -179.938 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 105' ' ' LEU . . . . . . . . . . . . . 26.9 tp -63.74 -48.53 76.65 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.25 -0.432 . . . . 4.99 110.443 179.949 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 106' ' ' ARG . . . . . 0.573 ' O ' ' OG1' ' A' ' 110' ' ' THR . 1.3 ttm180 -71.56 -15.86 62.29 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.201 -0.454 . . . . 15.24 110.551 -179.981 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 107' ' ' HIS . . . . . . . . . . . . . 84.4 t60 -72.58 -36.64 68.21 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.184 -0.462 . . . . 15.69 110.622 -179.941 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 108' ' ' VAL . . . . . . . . . . . . . 7.1 t -76.95 -62.67 1.27 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.225 -0.443 . . . . 12.28 110.586 -179.964 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 109' ' ' MET . . . . . 0.578 ' O ' ' O ' ' A' ' 114' ' ' GLU . 2.9 mmt -52.34 -25.77 10.54 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.215 -0.448 . . . . 9.53 110.673 -179.898 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 110' ' ' THR . . . . . 0.573 ' OG1' ' O ' ' A' ' 106' ' ' ARG . 3.9 m -73.69 -51.38 16.85 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.276 -0.42 . . . . 11.87 110.903 -179.781 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 111' ' ' ASN . . . . . 0.503 ' OD1' ' N ' ' A' ' 112' ' ' LEU . 20.7 p30 -78.78 -22.66 46.02 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.396 -0.365 . . . . 21.65 110.807 -179.806 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 112' ' ' LEU . . . . . 0.503 ' N ' ' OD1' ' A' ' 111' ' ' ASN . 4.8 tp -50.07 -15.38 0.21 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.298 -0.41 . . . . 19.55 110.558 -179.926 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 113' ' ' GLY . . . . . 0.419 ' N ' ' C ' ' A' ' 111' ' ' ASN . . . 115.17 -3.79 22.25 Favored Glycine 0 CA--C 1.524 0.639 0 N-CA-C 110.919 -0.872 . . . . 19.66 110.919 179.984 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 114' ' ' GLU . . . . . 0.578 ' O ' ' O ' ' A' ' 109' ' ' MET . 1.4 tm-20 -124.21 120.08 31.23 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.788 0.328 . . . . 25.55 110.5 179.883 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 13.1 mmtp -78.78 117.5 19.96 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.318 -0.401 . . . . 23.26 110.535 -179.892 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 116' ' ' LEU . . . . . 0.667 ' CD2' ' N ' ' A' ' 116' ' ' LEU . 1.6 mm? -85.37 154.35 21.92 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.166 -0.47 . . . . 23.07 110.545 -179.972 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 117' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -91.94 148.76 21.96 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.221 -0.445 . . . . 19.41 110.57 179.988 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 118' ' ' ASP . . . . . 0.562 ' O ' ' OD1' ' A' ' 122' ' ' ASP . 1.0 OUTLIER -50.46 -38.76 45.46 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.185 -0.462 . . . . 18.08 110.498 -179.986 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 119' ' ' GLU . . . . . 0.585 ' OE1' ' N ' ' A' ' 119' ' ' GLU . 1.7 mp0 -75.85 -44.33 41.36 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.177 -0.465 . . . . 20.16 110.535 -179.97 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 120' ' ' GLU . . . . . . . . . . . . . 4.2 mm-40 -45.49 -56.29 5.23 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.233 -0.439 . . . . 14.19 110.531 -180.0 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 121' ' ' VAL . . . . . 0.411 ' C ' ' N ' ' A' ' 123' ' ' GLU . 14.7 t -65.65 -62.08 1.4 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.21 -0.45 . . . . 14.97 110.61 -180.0 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 122' ' ' ASP . . . . . 0.562 ' OD1' ' O ' ' A' ' 118' ' ' ASP . 3.6 m-20 -45.38 -22.73 0.15 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.188 -0.46 . . . . 20.12 110.608 179.941 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 123' ' ' GLU . . . . . 0.411 ' N ' ' C ' ' A' ' 121' ' ' VAL . 17.0 tp10 -75.87 -54.86 6.25 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.195 -0.457 . . . . 15.72 110.578 179.961 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 124' ' ' MET . . . . . . . . . . . . . 6.4 tpt -55.71 -55.36 33.16 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.212 -0.449 . . . . 9.75 110.54 -179.978 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 125' ' ' ILE . . . . . 0.441 ' O ' ' N ' ' A' ' 129' ' ' ASP . 26.6 mm -44.64 -55.8 0.95 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.205 -0.452 . . . . 11.99 110.546 -179.998 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 126' ' ' ARG . . . . . . . . . . . . . 8.2 ttt-85 -43.63 -35.38 1.75 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.196 -0.457 . . . . 27.23 110.58 179.972 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 127' ' ' GLU . . . . . . . . . . . . . 2.6 tm-20 -74.33 -54.57 7.39 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.197 -0.456 . . . . 15.5 110.582 179.997 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 128' ' ' ALA . . . . . 0.448 ' O ' ' OE1' ' A' ' 140' ' ' GLU . . . -65.83 -21.1 66.45 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.207 -0.452 . . . . 10.5 110.559 179.963 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 129' ' ' ASP . . . . . 0.441 ' N ' ' O ' ' A' ' 125' ' ' ILE . 0.6 OUTLIER -60.88 111.94 1.86 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.169 -0.469 . . . . 10.86 110.528 179.992 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 130' ' ' ILE . . . . . . . . . . . . . 3.1 mt -79.64 -50.31 18.17 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.258 -0.428 . . . . 12.26 110.572 179.812 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 131' ' ' ASP . . . . . 0.439 ' OD2' ' N ' ' A' ' 131' ' ' ASP . 0.0 OUTLIER -110.64 11.07 22.85 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.146 -0.479 . . . . 7.79 110.66 179.952 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 132' ' ' GLY . . . . . . . . . . . . . . . 64.94 54.14 29.82 Favored Glycine 0 CA--C 1.525 0.674 0 N-CA-C 110.873 -0.891 . . . . 3.93 110.873 -179.94 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 133' ' ' ASP . . . . . . . . . . . . . 2.3 m-20 -100.99 -30.21 11.76 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.739 0.304 . . . . 9.56 110.631 -179.97 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 134' ' ' GLY . . . . . . . . . . . . . . . 105.08 4.96 41.32 Favored Glycine 0 CA--C 1.525 0.681 0 N-CA-C 110.996 -0.842 . . . . 7.32 110.996 -179.955 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 135' ' ' GLN . . . . . . . . . . . . . 1.5 mt-30 -129.31 155.18 46.02 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.68 0.276 . . . . 22.05 110.486 179.967 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 136' ' ' VAL . . . . . . . . . . . . . 46.0 t -111.27 135.0 51.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.336 -0.393 . . . . 10.34 110.626 -179.916 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 137' ' ' ASN . . . . . 0.622 ' H ' ' CD ' ' A' ' 140' ' ' GLU . 0.2 OUTLIER -109.81 159.55 17.11 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.058 -0.519 . . . . 12.02 110.315 179.681 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 138' ' ' TYR . . . . . 0.529 ' CD2' ' C ' ' A' ' 138' ' ' TYR . 7.7 t80 -54.19 -30.87 51.28 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.829 0.347 . . . . 8.75 110.503 179.949 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 139' ' ' GLU . . . . . 0.485 ' OE2' ' CG ' ' A' ' 143' ' ' GLN . 1.5 tm-20 -66.23 -39.85 89.84 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.172 -0.467 . . . . 22.33 110.486 179.92 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 140' ' ' GLU . . . . . 0.622 ' CD ' ' H ' ' A' ' 137' ' ' ASN . 4.7 mt-10 -61.91 -43.33 99.06 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.206 -0.452 . . . . 13.45 110.441 -179.993 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 141' ' ' PHE . . . . . . . . . . . . . 0.6 OUTLIER -50.12 -42.02 49.79 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.22 -0.445 . . . . 8.25 110.483 179.954 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 142' ' ' VAL . . . . . . . . . . . . . 70.7 t -67.67 -38.2 79.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.155 -0.475 . . . . 10.15 110.558 179.971 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 143' ' ' GLN . . . . . 0.485 ' CG ' ' OE2' ' A' ' 139' ' ' GLU . 22.3 mm100 -52.32 -52.64 51.95 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.224 -0.443 . . . . 8.24 110.525 179.947 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 144' ' ' MET . . . . . . . . . . . . . 2.5 ttp -49.43 -40.58 37.15 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.192 -0.458 . . . . 6.68 110.572 -179.997 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 145' ' ' MET . . . . . 0.561 ' CG ' ' O ' ' A' ' 145' ' ' MET . 0.8 OUTLIER . . . . . 0 C--N 1.329 -0.319 0 CA-C-N 116.183 -0.462 . . . . 13.37 110.523 179.977 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 2.9 mm100 . . . . . 0 C--O 1.231 0.086 0 CA-C-O 120.81 0.338 . . . . 23.46 110.542 . . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 5.2 tp -74.18 131.54 41.36 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.185 -0.462 . . . . 14.38 110.581 -179.987 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 5' ' ' THR . . . . . 0.416 ' OG1' ' NE2' ' A' ' 8' ' ' GLN . 2.3 p -74.3 147.64 42.13 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.214 -0.448 . . . . 7.34 110.545 -179.979 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 6' ' ' GLU . . . . . 0.544 ' CD ' ' H ' ' A' ' 6' ' ' GLU . 3.8 mp0 -54.69 -43.74 72.76 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.169 -0.469 . . . . 7.12 110.585 179.969 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 5.0 mt-10 -54.61 -34.76 62.55 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.196 -0.456 . . . . 6.85 110.555 -179.981 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 8' ' ' GLN . . . . . 0.463 ' OE1' ' N ' ' A' ' 8' ' ' GLN . 1.0 OUTLIER -79.09 -42.46 26.3 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.155 -0.475 . . . . 15.1 110.579 179.986 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 9' ' ' ILE . . . . . 0.474 HD12 HG21 ' A' ' 9' ' ' ILE . 92.0 mt -62.51 -35.31 69.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.214 -0.448 . . . . 4.72 110.544 -179.925 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -63.21 -59.52 4.64 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.23 -0.441 . . . . 6.68 110.573 -179.902 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 38.0 mt-10 -46.86 -30.22 2.39 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.19 -0.459 . . . . 18.49 110.63 -179.994 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 4.9 m-85 -70.54 -44.59 67.18 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.233 -0.439 . . . . 14.89 110.611 -179.979 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 3.3 mtpt -46.82 -36.53 7.51 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.213 -0.449 . . . . 18.39 110.572 -179.975 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 48.6 tt0 -67.13 -38.3 85.34 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.223 -0.444 . . . . 22.76 110.527 179.994 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -55.24 -58.2 8.67 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.226 -0.443 . . . . 5.67 110.559 179.977 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 16' ' ' PHE . . . . . 0.451 ' CE2' ' HB2' ' A' ' 20' ' ' ASP . 1.8 t80 -45.29 -56.77 4.54 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.197 -0.456 . . . . 13.28 110.526 179.95 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -47.8 -21.44 0.4 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.185 -0.461 . . . . 12.16 110.554 179.923 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 11.5 tp -78.28 -37.97 43.73 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.158 -0.474 . . . . 17.89 110.569 -179.998 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 25.8 m-85 -90.07 -50.36 6.05 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.265 -0.425 . . . . 9.14 110.609 179.975 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 20' ' ' ASP . . . . . 0.451 ' HB2' ' CE2' ' A' ' 16' ' ' PHE . 7.7 t70 -83.68 79.82 9.33 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.209 -0.451 . . . . 7.47 110.571 -179.977 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 1.9 ptmm? -77.11 -19.61 56.74 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.167 -0.47 . . . . 27.75 110.648 -179.956 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 2.4 p30 -81.27 -15.3 55.92 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.24 -0.437 . . . . 14.13 110.661 -179.884 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 60.67 40.47 98.03 Favored Glycine 0 CA--C 1.525 0.699 0 N-CA-C 110.968 -0.853 . . . . 11.51 110.968 -179.993 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 24' ' ' ASP . . . . . 0.529 ' OD2' ' O ' ' A' ' 24' ' ' ASP . 1.8 t0 -86.57 -26.69 24.36 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 120.759 0.314 . . . . 14.28 110.622 -179.972 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 105.13 -3.92 41.07 Favored Glycine 0 CA--C 1.525 0.688 0 N-CA-C 110.893 -0.883 . . . . 9.47 110.893 -179.994 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 2.5 p -146.23 142.47 28.41 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.802 0.334 . . . . 16.41 110.538 179.958 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 27' ' ' ILE . . . . . 0.435 ' H ' ' HB ' ' A' ' 63' ' ' ILE . 35.4 mt -104.78 130.07 56.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.184 -0.462 . . . . 8.03 110.612 179.997 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 69.5 p -99.24 175.27 5.94 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.196 -0.456 . . . . 7.8 110.555 -179.946 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 29' ' ' THR . . . . . 0.404 ' CG2' HG13 ' A' ' 52' ' ' ILE . 9.0 m -77.21 -46.11 24.33 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.215 -0.448 . . . . 10.04 110.596 179.988 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 15.7 tptp -54.24 -30.84 51.69 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.18 -0.464 . . . . 16.38 110.555 -179.918 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 56.8 mt-10 -85.32 -32.67 22.36 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.225 -0.443 . . . . 5.59 110.55 179.972 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 1.1 tt -65.39 -59.84 3.6 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.188 -0.46 . . . . 7.72 110.599 -179.949 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -50.31 -52.77 26.62 Favored Glycine 0 CA--C 1.525 0.656 0 N-CA-C 110.993 -0.843 . . . . 6.93 110.993 179.992 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 22.5 m -44.51 -36.04 2.78 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.82 0.343 . . . . 9.63 110.593 179.965 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 58.8 t -69.4 -42.75 81.18 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.2 -0.454 . . . . 7.07 110.62 -179.965 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 36' ' ' MET . . . . . 0.492 ' O ' ' N ' ' A' ' 39' ' ' LEU . 0.0 OUTLIER -71.83 -54.05 11.37 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.2 -0.455 . . . . 10.12 110.54 179.976 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 7.3 ttp180 -47.99 -29.76 3.73 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.162 -0.472 . . . . 9.87 110.548 -179.965 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -84.62 -19.42 33.0 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.224 -0.443 . . . . 8.15 110.542 -179.987 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 39' ' ' LEU . . . . . 0.492 ' N ' ' O ' ' A' ' 36' ' ' MET . 14.2 mt -81.7 10.94 5.28 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.193 -0.458 . . . . 12.78 110.583 179.981 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 82.63 -0.16 89.56 Favored Glycine 0 CA--C 1.525 0.682 0 N-CA-C 110.94 -0.864 . . . . 9.6 110.94 179.991 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 3.9 tt0 -90.62 152.51 20.84 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.822 0.344 . . . . 20.35 110.582 -179.963 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 10.5 m120 -126.57 80.07 70.41 Favored Pre-proline 0 C--N 1.33 -0.265 0 CA-C-N 116.156 -0.474 . . . . 10.22 110.487 179.981 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 60.6 Cg_endo -78.32 137.63 15.18 Favored 'Trans proline' 0 C--N 1.306 -1.699 0 C-N-CA 122.822 2.348 . . . . 8.63 112.2 -179.901 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -80.02 168.98 18.49 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.105 -0.498 . . . . 4.83 110.546 179.946 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 37.3 mt-10 -60.47 -36.93 79.45 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.271 -0.422 . . . . 16.78 110.514 179.983 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -67.65 -23.07 65.3 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.216 -0.447 . . . . 4.8 110.525 -179.989 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 26.9 mt-10 -74.71 -57.94 3.6 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.204 -0.453 . . . . 6.18 110.534 -179.994 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 3.7 mm? -51.37 -54.2 28.82 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.185 -0.462 . . . . 6.65 110.559 -179.999 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 26.3 mt-30 -52.82 -34.92 56.14 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.194 -0.457 . . . . 7.05 110.503 179.924 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 68.9 m-20 -73.22 -31.22 64.03 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.181 -0.463 . . . . 6.72 110.501 179.992 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 51' ' ' MET . . . . . 0.416 ' O ' ' CG2' ' A' ' 55' ' ' VAL . 5.5 tpt -78.08 -61.21 2.07 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.202 -0.454 . . . . 13.6 110.543 -179.99 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 52' ' ' ILE . . . . . 0.404 HG13 ' CG2' ' A' ' 29' ' ' THR . 6.1 mm -49.34 -52.25 11.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.168 -0.469 . . . . 8.71 110.533 179.971 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 14.0 t30 -57.33 -41.25 79.61 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.286 -0.416 . . . . 9.04 110.548 179.972 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 3.7 mm-40 -58.37 -49.84 75.79 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.179 -0.464 . . . . 23.58 110.744 -179.835 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 55' ' ' VAL . . . . . 0.416 ' CG2' ' O ' ' A' ' 51' ' ' MET . 0.0 OUTLIER -80.67 -0.31 4.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.268 -0.423 . . . . 7.6 110.695 -179.891 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 36.2 t0 -107.65 110.01 21.77 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.241 -0.436 . . . . 12.55 110.52 179.983 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -82.76 -44.65 15.34 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.146 -0.479 . . . . 15.13 110.58 -179.991 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 16.2 m-20 -76.65 -10.81 59.65 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.25 -0.432 . . . . 14.32 110.576 179.984 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 53.9 21.28 16.06 Favored Glycine 0 CA--C 1.524 0.645 0 N-CA-C 110.962 -0.855 . . . . 13.64 110.962 -179.972 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 60' ' ' ASP . . . . . 0.587 ' OD2' ' N ' ' A' ' 60' ' ' ASP . 7.6 p-10 -73.55 -20.76 60.55 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-O 120.839 0.352 . . . . 13.27 110.594 179.98 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 104.97 29.64 5.13 Favored Glycine 0 CA--C 1.524 0.638 0 N-CA-C 110.914 -0.875 . . . . 11.65 110.914 179.968 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 62' ' ' THR . . . . . 0.444 ' OG1' ' OD1' ' A' ' 60' ' ' ASP . 0.1 OUTLIER -149.21 150.73 33.09 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.826 0.346 . . . . 11.55 110.559 179.992 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 63' ' ' ILE . . . . . 0.435 ' HB ' ' H ' ' A' ' 27' ' ' ILE . 46.4 mm -101.47 137.28 29.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.181 -0.463 . . . . 10.06 110.532 -179.956 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 64' ' ' ASP . . . . . 0.542 ' CG ' ' OE2' ' A' ' 67' ' ' GLU . 0.8 OUTLIER -113.4 -173.3 2.24 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.275 -0.42 . . . . 11.33 110.634 -179.934 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 65' ' ' PHE . . . . . 0.514 ' N ' ' CD ' ' A' ' 66' ' ' PRO . 0.3 OUTLIER -85.17 -46.72 0.64 Allowed Pre-proline 0 C--N 1.33 -0.244 0 CA-C-N 116.278 -0.419 . . . . 7.4 111.428 -179.624 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 66' ' ' PRO . . . . . 0.541 ' O ' ' OG1' ' A' ' 70' ' ' THR . 56.1 Cg_endo -76.46 -24.77 10.29 Favored 'Trans proline' 0 C--N 1.31 -1.473 0 C-N-CA 122.295 1.997 . . . . 6.66 112.409 -179.466 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 67' ' ' GLU . . . . . 0.542 ' OE2' ' CG ' ' A' ' 64' ' ' ASP . 9.8 pt-20 -91.59 -19.68 22.47 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.392 -0.367 . . . . 7.44 110.453 179.896 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 68' ' ' PHE . . . . . 0.468 ' CB ' ' O ' ' A' ' 64' ' ' ASP . 36.0 t80 -82.9 -30.78 28.23 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.215 -0.448 . . . . 8.58 110.528 179.882 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 10.8 mt -83.73 -38.85 20.86 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.165 -0.47 . . . . 9.43 110.337 179.576 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 70' ' ' THR . . . . . 0.541 ' OG1' ' O ' ' A' ' 66' ' ' PRO . 31.8 m -57.32 -52.82 63.8 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.051 -0.522 . . . . 7.53 110.595 -179.977 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 71' ' ' MET . . . . . 0.567 ' C ' ' SD ' ' A' ' 71' ' ' MET . 0.1 OUTLIER -47.97 -49.58 30.17 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.205 -0.452 . . . . 11.86 110.551 179.963 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 72' ' ' MET . . . . . . . . . . . . . 3.0 mmt -72.38 -46.29 56.0 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.192 -0.458 . . . . 22.32 110.551 179.985 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -56.34 -53.45 57.22 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.214 -0.448 . . . . 9.15 110.601 179.989 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 53.7 ttp180 -45.28 -39.7 6.82 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.233 -0.439 . . . . 13.8 110.525 -179.979 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 75' ' ' LYS . . . . . 0.55 ' O ' ' OD1' ' A' ' 78' ' ' ASP . 0.6 OUTLIER -50.97 -45.09 60.77 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.202 -0.453 . . . . 25.18 110.542 179.947 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 76' ' ' MET . . . . . . . . . . . . . 12.7 mtt -66.58 -21.41 66.14 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.169 -0.469 . . . . 34.79 110.542 -179.965 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 19.6 tttm -107.24 38.61 2.08 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.174 -0.467 . . . . 37.65 110.595 179.996 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 78' ' ' ASP . . . . . 0.55 ' OD1' ' O ' ' A' ' 75' ' ' LYS . 2.0 p-10 -160.65 -174.85 4.65 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.197 -0.456 . . . . 42.58 110.566 -179.976 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 23.6 p -72.16 162.87 28.85 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.162 -0.472 . . . . 38.4 110.549 -179.977 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -124.78 149.36 47.45 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.241 -0.436 . . . . 37.51 110.622 179.949 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 4.9 p -117.08 132.23 56.73 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.225 -0.443 . . . . 33.12 110.595 -179.997 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -71.07 -10.31 59.54 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.231 -0.441 . . . . 34.28 110.586 179.974 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 46.4 mt-10 -60.14 -53.84 53.01 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.186 -0.461 . . . . 30.91 110.575 -179.997 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 24.1 tt0 -65.39 -46.11 81.39 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.186 -0.461 . . . . 22.86 110.601 -179.986 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 85' ' ' ILE . . . . . . . . . . . . . 52.1 mt -52.65 -24.3 6.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.206 -0.452 . . . . 19.17 110.556 179.992 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 4.1 mmm180 -79.25 -51.38 9.54 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.169 -0.469 . . . . 26.85 110.54 -179.983 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 67.7 mm-40 -56.47 -62.46 1.71 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.254 -0.43 . . . . 16.48 110.556 -180.0 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 88' ' ' ALA . . . . . 0.472 ' O ' ' CD2' ' A' ' 92' ' ' PHE . . . -48.12 -36.72 13.85 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.198 -0.456 . . . . 9.91 110.521 179.972 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 50.3 t80 -70.58 -57.56 4.61 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.19 -0.459 . . . . 8.53 110.488 -179.964 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 11.7 mmm180 -57.18 -18.57 16.13 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.16 -0.473 . . . . 17.58 110.587 179.925 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 91' ' ' VAL . . . . . . . . . . . . . 43.1 t -77.37 -17.87 14.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.155 -0.475 . . . . 7.82 110.658 -179.9 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 92' ' ' PHE . . . . . 0.472 ' CD2' ' O ' ' A' ' 88' ' ' ALA . 46.6 m-85 -95.36 -53.87 3.61 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.343 -0.39 . . . . 9.11 110.673 -179.882 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 93' ' ' ASP . . . . . 0.573 ' OD2' ' O ' ' A' ' 99' ' ' TYR . 3.3 t0 -76.24 68.74 2.69 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.267 -0.424 . . . . 11.11 110.703 -179.815 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 24.5 mtpp -50.17 -18.39 0.57 Allowed 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.194 -0.457 . . . . 14.57 110.968 -179.712 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -82.95 -15.4 51.44 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.879 0.371 . . . . 10.2 110.588 -179.935 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 60.4 42.04 98.77 Favored Glycine 0 CA--C 1.525 0.668 0 N-CA-C 110.977 -0.849 . . . . 6.24 110.977 -179.916 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 97' ' ' ASN . . . . . 0.549 ' CG ' ' CE2' ' A' ' 99' ' ' TYR . 0.2 OUTLIER -97.39 6.35 48.38 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.98 0.419 . . . . 7.56 110.374 179.847 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . 72.17 4.65 60.27 Favored Glycine 0 CA--C 1.524 0.646 0 N-CA-C 110.96 -0.856 . . . . 7.08 110.96 -179.976 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 99' ' ' TYR . . . . . 0.573 ' O ' ' OD2' ' A' ' 93' ' ' ASP . 11.8 p90 -154.46 150.23 27.62 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.851 0.357 . . . . 9.0 110.551 179.942 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 100' ' ' ILE . . . . . 0.413 HD12 ' N ' ' A' ' 100' ' ' ILE . 0.0 OUTLIER -119.66 128.36 75.89 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.199 -0.455 . . . . 9.29 110.561 -179.996 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 101' ' ' SER . . . . . 0.567 ' O ' ' N ' ' A' ' 104' ' ' GLU . 5.2 p -89.23 151.8 21.94 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.217 -0.447 . . . . 7.02 110.655 -179.976 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -42.85 -19.4 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.112 -0.494 . . . . 6.41 110.597 -179.935 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 103' ' ' ALA . . . . . 0.513 ' N ' ' O ' ' A' ' 101' ' ' SER . . . -83.43 -31.83 26.41 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.263 -0.426 . . . . 5.01 110.608 -179.977 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 104' ' ' GLU . . . . . 0.567 ' N ' ' O ' ' A' ' 101' ' ' SER . 32.2 mt-10 -85.31 -54.35 4.65 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.193 -0.458 . . . . 6.84 110.632 -179.957 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 105' ' ' LEU . . . . . . . . . . . . . 44.7 tp -50.16 -51.09 46.49 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.204 -0.453 . . . . 4.99 110.646 -179.945 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 106' ' ' ARG . . . . . 0.551 ' O ' ' OG1' ' A' ' 110' ' ' THR . 63.5 ttt-85 -65.94 -42.45 90.0 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.269 -0.423 . . . . 15.24 110.65 -179.965 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 107' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -51.24 -42.99 61.39 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.18 -0.464 . . . . 15.69 110.626 179.977 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 108' ' ' VAL . . . . . . . . . . . . . 39.2 t -78.12 -58.31 4.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.232 -0.44 . . . . 12.28 110.638 -179.98 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 109' ' ' MET . . . . . . . . . . . . . 14.6 mtp -58.87 -15.06 10.8 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.202 -0.454 . . . . 9.53 110.658 -179.931 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 110' ' ' THR . . . . . 0.551 ' OG1' ' O ' ' A' ' 106' ' ' ARG . 12.8 m -80.43 -44.86 18.58 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.229 -0.441 . . . . 11.87 110.636 -179.912 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 111' ' ' ASN . . . . . . . . . . . . . 44.3 t30 -72.31 -9.81 58.97 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.237 -0.438 . . . . 21.65 110.576 -179.951 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -50.43 -21.73 1.59 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.191 -0.458 . . . . 19.55 110.507 -179.975 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . 115.4 -0.82 22.18 Favored Glycine 0 CA--C 1.524 0.651 0 N-CA-C 110.839 -0.904 . . . . 19.66 110.839 -179.826 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 20.8 tt0 -124.73 132.5 53.37 Favored 'General case' 0 C--N 1.33 -0.282 0 N-CA-C 110.216 -0.29 . . . . 25.55 110.216 179.609 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 49.3 mtpt -81.64 116.66 21.48 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.805 0.336 . . . . 23.26 110.615 -179.951 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 116' ' ' LEU . . . . . . . . . . . . . 2.5 mt -105.94 132.81 51.58 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.158 -0.474 . . . . 23.07 110.508 179.96 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 117' ' ' THR . . . . . 0.555 ' OG1' ' OE2' ' A' ' 120' ' ' GLU . 35.4 p -69.26 148.7 49.43 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.172 -0.467 . . . . 19.41 110.593 -179.941 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 118' ' ' ASP . . . . . . . . . . . . . 27.2 t70 -65.74 -52.39 51.54 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.217 -0.447 . . . . 18.08 110.494 -179.964 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 119' ' ' GLU . . . . . 0.45 ' O ' ' CB ' ' A' ' 123' ' ' GLU . 23.7 tt0 -44.88 -24.33 0.2 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.229 -0.441 . . . . 20.16 110.509 179.997 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 120' ' ' GLU . . . . . 0.555 ' OE2' ' OG1' ' A' ' 117' ' ' THR . 59.4 mt-10 -85.24 -50.41 7.39 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.168 -0.469 . . . . 14.19 110.539 179.91 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 121' ' ' VAL . . . . . . . . . . . . . 58.9 t -67.38 -60.83 2.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.227 -0.442 . . . . 14.97 110.569 179.978 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 122' ' ' ASP . . . . . 0.402 ' OD2' ' C ' ' A' ' 122' ' ' ASP . 49.2 t0 -49.7 -53.78 22.63 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.233 -0.439 . . . . 20.12 110.564 179.966 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 123' ' ' GLU . . . . . 0.663 ' O ' ' N ' ' A' ' 127' ' ' GLU . 24.6 tt0 -54.69 -52.58 61.96 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.209 -0.45 . . . . 15.72 110.595 179.989 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 124' ' ' MET . . . . . 0.557 ' O ' ' N ' ' A' ' 128' ' ' ALA . 11.4 tpt -46.26 -60.45 2.31 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.194 -0.457 . . . . 9.75 110.582 179.978 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 125' ' ' ILE . . . . . . . . . . . . . 92.7 mt -50.96 -53.14 15.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.206 -0.452 . . . . 11.99 110.546 -179.976 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 126' ' ' ARG . . . . . . . . . . . . . 2.9 tpt180 -71.13 -20.08 62.36 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.228 -0.442 . . . . 27.23 110.511 179.928 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 127' ' ' GLU . . . . . 0.663 ' N ' ' O ' ' A' ' 123' ' ' GLU . 1.6 tt0 -90.13 -21.89 22.02 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.127 -0.488 . . . . 15.5 110.515 -179.986 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 128' ' ' ALA . . . . . 0.557 ' N ' ' O ' ' A' ' 124' ' ' MET . . . -100.36 -34.5 9.95 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.148 -0.478 . . . . 10.5 110.512 179.871 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 129' ' ' ASP . . . . . 0.573 ' OD1' ' OE2' ' A' ' 140' ' ' GLU . 43.4 m-20 -60.79 98.94 0.08 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.155 -0.475 . . . . 10.86 110.646 -179.986 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 130' ' ' ILE . . . . . 0.531 ' CD1' ' OE1' ' A' ' 143' ' ' GLN . 1.4 mp -48.25 -26.35 1.29 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.351 0 CA-C-N 116.187 -0.46 . . . . 12.26 110.755 -179.684 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 131' ' ' ASP . . . . . 0.483 ' OD1' ' N ' ' A' ' 131' ' ' ASP . 2.5 p30 -104.21 -18.43 14.49 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.845 0.355 . . . . 7.79 110.559 179.915 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 132' ' ' GLY . . . . . 0.468 ' H ' ' HB3' ' A' ' 129' ' ' ASP . . . 64.11 67.49 2.03 Favored Glycine 0 CA--C 1.525 0.696 0 N-CA-C 110.926 -0.87 . . . . 3.93 110.926 179.991 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 133' ' ' ASP . . . . . . . . . . . . . 69.3 m-20 -100.94 3.16 41.44 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.731 0.3 . . . . 9.56 110.618 -179.924 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 134' ' ' GLY . . . . . . . . . . . . . . . 79.45 2.09 87.23 Favored Glycine 0 CA--C 1.525 0.659 0 N-CA-C 110.987 -0.845 . . . . 7.32 110.987 179.998 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 135' ' ' GLN . . . . . 0.572 ' O ' ' OD2' ' A' ' 129' ' ' ASP . 0.0 OUTLIER -149.22 167.31 26.36 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.777 0.323 . . . . 22.05 110.468 -179.99 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 136' ' ' VAL . . . . . . . . . . . . . 31.4 t -109.61 134.66 50.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.244 -0.434 . . . . 10.34 110.539 -179.983 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 137' ' ' ASN . . . . . 0.489 ' OD1' ' NE2' ' A' ' 135' ' ' GLN . 92.0 m-20 -109.91 159.49 17.2 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.195 -0.457 . . . . 12.02 110.361 179.63 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 138' ' ' TYR . . . . . . . . . . . . . 82.3 t80 -54.79 -36.43 64.91 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.418 -0.355 . . . . 8.75 110.472 179.953 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 139' ' ' GLU . . . . . . . . . . . . . 29.2 tt0 -61.07 -42.0 97.68 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.205 -0.452 . . . . 22.33 110.49 179.939 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 140' ' ' GLU . . . . . 0.573 ' OE2' ' OD1' ' A' ' 129' ' ' ASP . 83.6 mt-10 -64.52 -37.58 88.02 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.212 -0.449 . . . . 13.45 110.511 179.937 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 141' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -50.03 -38.05 35.91 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.141 -0.481 . . . . 8.25 110.424 -179.985 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 142' ' ' VAL . . . . . . . . . . . . . 84.0 t -77.74 -28.38 15.67 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.172 -0.467 . . . . 10.15 110.528 179.935 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 143' ' ' GLN . . . . . 0.531 ' OE1' ' CD1' ' A' ' 130' ' ' ILE . 33.2 mt-30 -63.75 -60.16 3.65 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.191 -0.459 . . . . 8.24 110.554 -179.986 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 144' ' ' MET . . . . . 0.511 ' SD ' ' O ' ' A' ' 144' ' ' MET . 0.0 OUTLIER -56.23 -24.73 44.18 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.261 -0.427 . . . . 6.68 110.542 179.94 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 145' ' ' MET . . . . . . . . . . . . . 12.2 ttt . . . . . 0 C--N 1.329 -0.303 0 CA-C-N 116.144 -0.48 . . . . 13.37 110.595 179.986 . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER . . . . . 0 C--O 1.231 0.099 0 CA-C-O 120.822 0.344 . . . . 23.46 110.601 . . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 4' ' ' LEU . . . . . 0.636 ' O ' ' CD1' ' A' ' 9' ' ' ILE . 1.3 mm? -91.64 128.54 37.52 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.194 -0.457 . . . . 14.38 110.565 -179.954 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 5' ' ' THR . . . . . 0.567 ' OG1' ' OE1' ' A' ' 8' ' ' GLN . 1.5 p -77.61 169.33 18.49 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.13 -0.486 . . . . 7.34 110.443 179.869 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 2.8 mt-10 -47.06 -47.31 22.7 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.307 -0.406 . . . . 7.12 110.562 -179.992 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 7' ' ' GLU . . . . . 0.619 ' N ' ' OE2' ' A' ' 7' ' ' GLU . 2.0 mp0 -57.19 -30.76 64.79 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.148 -0.478 . . . . 6.85 110.607 179.974 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 8' ' ' GLN . . . . . 0.634 ' N ' ' CD ' ' A' ' 8' ' ' GLN . 1.5 mp0 -90.75 -56.84 3.03 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.184 -0.462 . . . . 15.1 110.603 -179.982 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 9' ' ' ILE . . . . . 0.636 ' CD1' ' O ' ' A' ' 4' ' ' LEU . 31.1 mt -45.69 -31.12 1.06 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.236 -0.438 . . . . 4.72 110.527 179.951 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -76.09 -52.2 10.65 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.156 -0.474 . . . . 6.68 110.536 179.942 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 12.1 tt0 -43.87 -52.2 6.96 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.163 -0.471 . . . . 18.49 110.64 -179.917 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 12' ' ' PHE . . . . . 0.468 ' CG ' HD22 ' A' ' 69' ' ' LEU . 48.6 m-85 -60.33 -50.15 74.77 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.342 -0.39 . . . . 14.89 110.519 -179.921 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 39.8 mttt -46.89 -37.66 9.21 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.292 -0.413 . . . . 18.39 110.526 179.995 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 14' ' ' GLU . . . . . 0.458 ' O ' ' OG ' ' A' ' 17' ' ' SER . 6.8 tp10 -51.18 -50.83 58.23 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.199 -0.455 . . . . 22.76 110.563 179.911 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -45.86 -58.21 3.71 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.223 -0.444 . . . . 5.67 110.602 179.917 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 16' ' ' PHE . . . . . 0.685 ' CE2' ' OD1' ' A' ' 20' ' ' ASP . 22.0 t80 -57.14 -19.99 23.43 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.149 -0.478 . . . . 13.28 110.492 179.918 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 17' ' ' SER . . . . . 0.458 ' OG ' ' O ' ' A' ' 14' ' ' GLU . 4.8 p -85.41 -21.22 28.9 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.137 -0.483 . . . . 12.16 110.562 179.945 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 1.9 mm? -90.65 -34.27 15.5 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.163 -0.471 . . . . 17.89 110.585 179.955 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 19' ' ' PHE . . . . . 0.414 ' O ' ' N ' ' A' ' 21' ' ' LYS . 28.2 m-85 -87.4 -50.14 6.76 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.186 -0.461 . . . . 9.14 110.632 -179.912 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 20' ' ' ASP . . . . . 0.685 ' OD1' ' CE2' ' A' ' 16' ' ' PHE . 3.8 t70 -68.08 68.38 0.12 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.226 -0.443 . . . . 7.47 110.581 -179.949 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 21' ' ' LYS . . . . . 0.414 ' N ' ' O ' ' A' ' 19' ' ' PHE . 1.1 ptmm? -75.1 -19.59 59.87 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.182 -0.463 . . . . 27.75 110.665 -179.972 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 22' ' ' ASP . . . . . 0.424 ' OD1' ' OE1' ' A' ' 31' ' ' GLU . 34.2 m-20 -88.28 -15.16 36.53 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.222 -0.445 . . . . 14.13 110.613 -179.932 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 55.53 32.85 58.44 Favored Glycine 0 CA--C 1.525 0.689 0 N-CA-C 110.915 -0.874 . . . . 11.51 110.915 179.997 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 24' ' ' ASP . . . . . 0.456 ' OD2' ' N ' ' A' ' 25' ' ' GLY . 37.4 p30 -76.34 -27.16 56.37 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 120.771 0.32 . . . . 14.28 110.573 -179.961 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 25' ' ' GLY . . . . . 0.456 ' N ' ' OD2' ' A' ' 24' ' ' ASP . . . 105.1 -4.19 41.27 Favored Glycine 0 CA--C 1.524 0.629 0 N-CA-C 110.918 -0.873 . . . . 9.47 110.918 -179.957 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 26' ' ' THR . . . . . 0.408 ' O ' ' OD1' ' A' ' 24' ' ' ASP . 41.9 p -148.69 136.81 20.97 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.782 0.325 . . . . 16.41 110.595 179.969 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 0.6 OUTLIER -97.7 125.74 50.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.212 -0.449 . . . . 8.03 110.515 179.98 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 7.3 p -103.08 172.74 6.64 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.254 -0.43 . . . . 7.8 110.578 -179.922 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 29' ' ' THR . . . . . 0.402 ' HG1' HD12 ' A' ' 52' ' ' ILE . 6.2 m -75.89 -28.94 58.29 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.168 -0.469 . . . . 10.04 110.55 -179.987 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 19.8 tttm -70.51 -29.79 66.39 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.176 -0.465 . . . . 16.38 110.628 -179.983 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 31' ' ' GLU . . . . . 0.424 ' OE1' ' OD1' ' A' ' 22' ' ' ASP . 75.0 mt-10 -85.38 -30.88 23.27 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.205 -0.452 . . . . 5.59 110.549 -179.972 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -64.43 -59.9 3.8 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.198 -0.455 . . . . 7.72 110.604 180.0 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -50.92 -50.55 37.88 Favored Glycine 0 CA--C 1.524 0.651 0 N-CA-C 110.91 -0.876 . . . . 6.93 110.91 179.995 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 99.0 m -44.07 -42.54 6.25 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.836 0.35 . . . . 9.63 110.556 -179.995 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 84.7 t -63.88 -44.71 98.14 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.151 -0.477 . . . . 7.07 110.542 179.972 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 36' ' ' MET . . . . . . . . . . . . . 5.2 mmt -66.09 -29.87 70.28 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.149 -0.478 . . . . 10.12 110.51 179.984 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 37' ' ' ARG . . . . . 0.412 HH11 ' HD2' ' A' ' 43' ' ' PRO . 14.6 tpp85 -63.2 -25.62 68.42 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.15 -0.477 . . . . 9.87 110.529 179.999 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 3.6 m -83.36 -19.16 36.61 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.179 -0.464 . . . . 8.15 110.504 179.948 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 21.1 mt -91.07 15.15 12.19 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.168 -0.469 . . . . 12.78 110.528 179.927 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 68.91 25.06 75.57 Favored Glycine 0 CA--C 1.525 0.665 0 N-CA-C 110.897 -0.881 . . . . 9.6 110.897 179.974 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 5.3 mm-40 -102.96 152.3 21.47 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.775 0.321 . . . . 20.35 110.581 -179.989 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 20.0 m120 -126.47 79.98 70.13 Favored Pre-proline 0 C--N 1.328 -0.336 0 CA-C-N 116.152 -0.476 . . . . 10.22 110.531 -179.997 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 43' ' ' PRO . . . . . 0.412 ' HD2' HH11 ' A' ' 37' ' ' ARG . 59.7 Cg_endo -77.93 141.45 19.0 Favored 'Trans proline' 0 C--N 1.306 -1.705 0 C-N-CA 122.715 2.277 . . . . 8.63 112.21 -179.944 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 44.3 p -96.78 151.1 19.97 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.176 -0.466 . . . . 4.83 110.59 179.997 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 45.9 tt0 -48.44 -43.33 34.31 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.206 -0.452 . . . . 16.78 110.576 179.968 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -68.27 -38.07 81.35 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.189 -0.46 . . . . 4.8 110.577 179.997 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 47' ' ' GLU . . . . . 0.53 ' C ' ' OE1' ' A' ' 47' ' ' GLU . 0.1 OUTLIER -70.69 -60.81 2.04 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.173 -0.467 . . . . 6.18 110.545 -179.982 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 14.9 tp -50.94 -20.71 1.42 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.221 -0.445 . . . . 6.65 110.601 -179.978 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 5.4 tp60 -68.33 -50.78 51.0 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.163 -0.471 . . . . 7.05 110.553 179.982 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 20.9 t0 -52.01 -31.66 30.6 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.192 -0.458 . . . . 6.72 110.571 179.967 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 51' ' ' MET . . . . . . . . . . . . . 6.1 tpt -72.31 -59.47 2.72 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.199 -0.455 . . . . 13.6 110.563 179.944 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 52' ' ' ILE . . . . . 0.614 ' O ' ' N ' ' A' ' 56' ' ' ASP . 4.7 mm -48.95 -44.33 15.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.185 -0.461 . . . . 8.71 110.552 179.995 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 6.9 m-20 -61.67 -44.3 97.21 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.245 -0.434 . . . . 9.04 110.529 179.968 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -51.2 -46.28 62.13 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.235 -0.439 . . . . 23.58 110.56 -179.931 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 1.1 m -93.18 -21.77 5.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.225 -0.443 . . . . 7.6 110.565 179.999 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 56' ' ' ASP . . . . . 0.614 ' N ' ' O ' ' A' ' 52' ' ' ILE . 38.3 t0 -107.62 82.42 1.66 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.186 -0.461 . . . . 12.55 110.587 179.931 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -77.14 -24.87 51.57 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.179 -0.464 . . . . 15.13 110.594 -179.995 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 58' ' ' ASP . . . . . 0.54 ' OD2' ' OE1' ' A' ' 67' ' ' GLU . 0.8 OUTLIER -80.64 -11.01 59.7 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.219 -0.446 . . . . 14.32 110.609 179.988 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 44.09 20.17 0.16 Allowed Glycine 0 CA--C 1.525 0.661 0 N-CA-C 110.932 -0.867 . . . . 13.64 110.932 179.969 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 60' ' ' ASP . . . . . 0.463 ' OD2' ' N ' ' A' ' 60' ' ' ASP . 22.9 p-10 -61.3 -8.21 3.61 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.784 0.326 . . . . 13.27 110.581 179.983 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 99.71 -10.07 60.63 Favored Glycine 0 CA--C 1.524 0.629 0 N-CA-C 110.973 -0.851 . . . . 11.65 110.973 -179.988 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -127.95 169.39 14.04 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.772 0.32 . . . . 11.55 110.621 179.979 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 63' ' ' ILE . . . . . 0.434 HG21 HD12 ' A' ' 63' ' ' ILE . 74.6 mt -120.58 109.3 25.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.24 -0.436 . . . . 10.06 110.606 -179.97 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 64' ' ' ASP . . . . . 0.659 ' OD2' ' N ' ' A' ' 64' ' ' ASP . 0.0 OUTLIER -78.69 145.67 34.42 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.165 -0.471 . . . . 11.33 110.334 179.904 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 65' ' ' PHE . . . . . 0.625 ' N ' ' CD ' ' A' ' 66' ' ' PRO . 0.2 OUTLIER -64.77 -39.38 38.58 Favored Pre-proline 0 C--N 1.33 -0.248 0 CA-C-N 116.496 -0.32 . . . . 7.4 110.971 -179.668 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 66' ' ' PRO . . . . . 0.625 ' CD ' ' N ' ' A' ' 65' ' ' PHE . 51.3 Cg_exo -51.21 -44.58 42.02 Favored 'Trans proline' 0 C--N 1.309 -1.512 0 C-N-CA 122.276 1.984 . . . . 6.66 111.749 179.758 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 67' ' ' GLU . . . . . 0.553 ' OE2' ' OD2' ' A' ' 64' ' ' ASP . 6.0 mt-10 -81.37 -16.57 51.87 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.055 -0.521 . . . . 7.44 110.411 179.84 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 68' ' ' PHE . . . . . . . . . . . . . 20.9 t80 -71.11 -25.42 62.58 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.135 -0.484 . . . . 8.58 110.504 179.863 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 69' ' ' LEU . . . . . 0.468 HD22 ' CG ' ' A' ' 12' ' ' PHE . 0.5 OUTLIER -83.41 -40.49 19.29 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.141 -0.481 . . . . 9.43 110.488 179.708 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 70' ' ' THR . . . . . 0.443 HG22 ' N ' ' A' ' 71' ' ' MET . 0.7 OUTLIER -68.47 -37.05 79.8 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.241 -0.436 . . . . 7.53 110.539 -179.832 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 71' ' ' MET . . . . . 0.621 ' C ' ' SD ' ' A' ' 71' ' ' MET . 0.0 OUTLIER -60.94 -34.72 75.15 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.215 -0.448 . . . . 11.86 110.451 179.92 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 72' ' ' MET . . . . . 0.449 ' N ' ' HG3' ' A' ' 71' ' ' MET . 0.5 OUTLIER -81.83 -48.8 11.13 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.161 -0.472 . . . . 22.32 110.555 179.943 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -61.66 -55.84 26.16 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.194 -0.457 . . . . 9.15 110.52 -179.982 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 37.5 ttm180 -46.59 -40.68 13.27 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.258 -0.428 . . . . 13.8 110.565 -179.984 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 4.2 tppt? -51.2 -50.61 58.74 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.218 -0.446 . . . . 25.18 110.563 179.994 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 76' ' ' MET . . . . . . . . . . . . . 11.3 mtp -59.12 -27.56 65.72 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.174 -0.466 . . . . 34.79 110.618 -179.975 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 18.4 mmtp -94.32 39.95 1.09 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.172 -0.467 . . . . 37.65 110.615 -179.941 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 5.2 m-20 -157.41 174.98 14.59 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.184 -0.462 . . . . 42.58 110.542 -179.98 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 6.2 t -72.2 158.96 34.91 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.166 -0.47 . . . . 38.4 110.551 179.986 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 4.8 p-10 -130.56 157.46 42.64 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.236 -0.438 . . . . 37.51 110.578 -179.993 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 81' ' ' SER . . . . . 0.436 ' C ' ' H ' ' A' ' 83' ' ' GLU . 0.3 OUTLIER -113.41 128.11 56.34 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.155 -0.475 . . . . 33.12 110.542 -179.972 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 16.4 pt-20 -55.69 -10.41 0.7 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.205 -0.452 . . . . 34.28 110.597 179.966 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 83' ' ' GLU . . . . . 0.436 ' H ' ' C ' ' A' ' 81' ' ' SER . 43.9 mm-40 -60.64 -60.42 3.83 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.197 -0.456 . . . . 30.91 110.615 179.976 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 84' ' ' GLU . . . . . 0.43 ' OE1' ' CB ' ' A' ' 88' ' ' ALA . 2.9 tm-20 -47.46 -57.45 5.33 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.202 -0.454 . . . . 22.86 110.578 -179.938 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 85' ' ' ILE . . . . . . . . . . . . . 3.7 mt -42.98 -26.46 0.19 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.232 -0.44 . . . . 19.17 110.554 -179.957 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 4.2 tpp180 -83.34 -52.07 6.87 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.241 -0.436 . . . . 26.85 110.551 179.963 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 87' ' ' GLU . . . . . 0.574 ' O ' ' CG2' ' A' ' 91' ' ' VAL . 1.4 tt0 -66.65 -48.18 70.22 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.181 -0.463 . . . . 16.48 110.546 179.97 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 88' ' ' ALA . . . . . 0.43 ' CB ' ' OE1' ' A' ' 84' ' ' GLU . . . -55.71 -46.18 77.74 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.156 -0.474 . . . . 9.91 110.528 -179.999 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 30.7 t80 -74.23 -51.95 13.85 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.154 -0.475 . . . . 8.53 110.563 179.975 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 71.2 ttt180 -58.35 -18.64 29.06 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.137 -0.483 . . . . 17.58 110.627 179.952 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 91' ' ' VAL . . . . . 0.574 ' CG2' ' O ' ' A' ' 87' ' ' GLU . 4.6 t -68.39 -32.36 55.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.189 -0.46 . . . . 7.82 110.652 -179.975 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 92' ' ' PHE . . . . . 0.451 ' CD1' HG13 ' A' ' 108' ' ' VAL . 40.0 m-85 -94.47 -21.7 18.73 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.278 -0.419 . . . . 9.11 110.692 -179.955 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 93' ' ' ASP . . . . . 0.574 ' OD1' ' OD1' ' A' ' 97' ' ' ASN . 3.0 t70 -99.12 68.57 1.68 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.292 -0.413 . . . . 11.11 110.668 -179.927 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -49.11 -18.56 0.33 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.121 -0.49 . . . . 14.57 110.928 -179.699 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . 22.0 m-20 -75.43 -12.38 60.23 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.812 0.339 . . . . 10.2 110.662 -179.85 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 60.05 9.67 11.87 Favored Glycine 0 CA--C 1.525 0.664 0 N-CA-C 111.041 -0.824 . . . . 6.24 111.041 179.95 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 97' ' ' ASN . . . . . 0.783 ' ND2' ' CE1' ' A' ' 99' ' ' TYR . 19.7 p30 -76.83 -26.86 54.81 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.847 0.355 . . . . 7.56 110.483 179.859 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 98' ' ' GLY . . . . . 0.482 ' N ' ' OD1' ' A' ' 97' ' ' ASN . . . 92.58 30.25 9.99 Favored Glycine 0 CA--C 1.525 0.686 0 N-CA-C 111.28 -0.728 . . . . 7.08 111.28 179.661 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 99' ' ' TYR . . . . . 0.783 ' CE1' ' ND2' ' A' ' 97' ' ' ASN . 0.6 OUTLIER -153.8 135.15 14.16 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.824 0.345 . . . . 9.0 110.69 179.803 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 100' ' ' ILE . . . . . 0.447 HG23 HD13 ' A' ' 100' ' ' ILE . 0.8 OUTLIER -122.09 120.21 60.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.107 -0.497 . . . . 9.29 110.425 179.85 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 10.8 m -85.17 151.47 24.08 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.312 -0.403 . . . . 7.02 110.753 -179.808 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -42.91 -34.34 0.95 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.085 -0.507 . . . . 6.41 110.584 -179.978 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -62.89 -60.05 4.0 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.273 -0.421 . . . . 5.01 110.573 179.984 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 40.4 mt-10 -57.5 -45.79 84.5 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.187 -0.46 . . . . 6.84 110.561 179.969 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 105' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -47.76 -51.22 23.1 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.173 -0.467 . . . . 4.99 110.548 179.976 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 106' ' ' ARG . . . . . 0.561 ' O ' ' OG1' ' A' ' 110' ' ' THR . 35.8 mtp85 -65.19 -23.85 67.21 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.217 -0.447 . . . . 15.24 110.554 179.971 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 107' ' ' HIS . . . . . . . . . . . . . 2.8 t60 -69.3 -38.82 78.46 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.185 -0.461 . . . . 15.69 110.495 -179.958 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 108' ' ' VAL . . . . . 0.451 HG13 ' CD1' ' A' ' 92' ' ' PHE . 4.0 t -79.22 -50.67 17.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.159 -0.473 . . . . 12.28 110.568 -179.988 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 109' ' ' MET . . . . . . . . . . . . . 41.5 mtt -64.73 -18.65 65.22 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.205 -0.452 . . . . 9.53 110.582 -179.931 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 110' ' ' THR . . . . . 0.561 ' OG1' ' O ' ' A' ' 106' ' ' ARG . 1.7 m -74.72 -46.07 39.95 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.294 -0.412 . . . . 11.87 110.612 -179.941 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 111' ' ' ASN . . . . . . . . . . . . . 6.8 t-20 -77.05 -9.81 58.96 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.237 -0.438 . . . . 21.65 110.524 179.977 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -56.83 -26.08 57.44 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.178 -0.464 . . . . 19.55 110.487 179.964 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . 115.4 -2.85 22.06 Favored Glycine 0 CA--C 1.525 0.713 0 N-CA-C 110.868 -0.893 . . . . 19.66 110.868 -179.857 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 24.2 mt-10 -124.13 124.69 43.05 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.746 0.307 . . . . 25.55 110.407 179.934 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -79.1 117.48 20.18 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.303 -0.408 . . . . 23.26 110.678 -179.993 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 116' ' ' LEU . . . . . . . . . . . . . 2.5 mt -111.32 134.9 52.57 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.165 -0.47 . . . . 23.07 110.517 179.973 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 117' ' ' THR . . . . . . . . . . . . . 3.0 m -69.35 156.05 39.43 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.186 -0.461 . . . . 19.41 110.568 -179.984 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 118' ' ' ASP . . . . . 0.464 ' OD2' ' N ' ' A' ' 118' ' ' ASP . 0.4 OUTLIER -67.27 -56.7 8.74 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.203 -0.453 . . . . 18.08 110.591 179.997 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 119' ' ' GLU . . . . . 0.478 ' O ' ' CG ' ' A' ' 123' ' ' GLU . 7.3 mt-10 -52.01 -20.32 2.35 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.162 -0.472 . . . . 20.16 110.531 179.971 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 120' ' ' GLU . . . . . . . . . . . . . 4.1 tm-20 -85.22 -39.12 18.14 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.198 -0.455 . . . . 14.19 110.566 -179.989 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 121' ' ' VAL . . . . . . . . . . . . . 44.5 t -81.82 -38.18 15.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.219 -0.446 . . . . 14.97 110.568 -179.958 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 122' ' ' ASP . . . . . . . . . . . . . 19.2 t70 -68.88 -55.73 10.15 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.175 -0.466 . . . . 20.12 110.602 179.965 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 123' ' ' GLU . . . . . 0.478 ' CG ' ' O ' ' A' ' 119' ' ' GLU . 15.1 mm-40 -55.69 -31.92 62.83 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.229 -0.441 . . . . 15.72 110.595 179.998 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 124' ' ' MET . . . . . . . . . . . . . 12.7 ttt -71.45 -62.04 1.55 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.204 -0.453 . . . . 9.75 110.58 179.95 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 125' ' ' ILE . . . . . 0.581 ' CG2' ' N ' ' A' ' 126' ' ' ARG . 9.0 tt -60.32 -44.99 97.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.229 -0.442 . . . . 11.99 110.561 -179.975 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 126' ' ' ARG . . . . . 0.581 ' N ' ' CG2' ' A' ' 125' ' ' ILE . 47.6 ttp180 -58.73 -19.43 40.14 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.197 -0.456 . . . . 27.23 110.574 179.977 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 127' ' ' GLU . . . . . . . . . . . . . 3.4 tp10 -75.81 -56.67 4.45 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.159 -0.473 . . . . 15.5 110.551 -179.942 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 128' ' ' ALA . . . . . . . . . . . . . . . -78.08 -0.71 29.13 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.22 -0.446 . . . . 10.5 110.584 -179.973 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 129' ' ' ASP . . . . . 0.56 ' OD1' ' N ' ' A' ' 132' ' ' GLY . 62.2 t0 -73.12 92.73 1.73 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.208 -0.451 . . . . 10.86 110.595 179.935 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 130' ' ' ILE . . . . . . . . . . . . . 52.0 mt -49.69 -47.22 21.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.208 -0.451 . . . . 12.26 110.604 179.996 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 131' ' ' ASP . . . . . 0.643 ' N ' ' OD1' ' A' ' 131' ' ' ASP . 0.0 OUTLIER -77.86 -17.76 57.0 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.226 -0.443 . . . . 7.79 110.586 179.975 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 132' ' ' GLY . . . . . 0.56 ' N ' ' OD1' ' A' ' 129' ' ' ASP . . . 53.44 44.33 66.63 Favored Glycine 0 CA--C 1.525 0.665 0 N-CA-C 110.923 -0.871 . . . . 3.93 110.923 -179.998 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 133' ' ' ASP . . . . . 0.475 ' N ' ' OD2' ' A' ' 129' ' ' ASP . 9.2 m-20 -100.93 -2.06 32.89 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.794 0.331 . . . . 9.56 110.557 179.98 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 134' ' ' GLY . . . . . . . . . . . . . . . 98.19 5.87 57.01 Favored Glycine 0 CA--C 1.524 0.645 0 N-CA-C 110.978 -0.849 . . . . 7.32 110.978 -179.956 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 135' ' ' GLN . . . . . . . . . . . . . 3.7 pt20 -145.48 164.4 31.72 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.803 0.335 . . . . 22.05 110.565 179.981 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 136' ' ' VAL . . . . . . . . . . . . . 55.1 t -122.4 100.78 8.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.226 -0.443 . . . . 10.34 110.608 -179.993 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 137' ' ' ASN . . . . . 0.416 ' N ' ' OE1' ' A' ' 140' ' ' GLU . 71.9 m-20 -68.7 159.9 31.3 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.186 -0.461 . . . . 12.02 110.485 -179.979 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 138' ' ' TYR . . . . . 0.568 ' CD2' ' C ' ' A' ' 138' ' ' TYR . 6.4 t80 -52.11 -39.87 60.45 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.172 -0.467 . . . . 8.75 110.583 179.999 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 139' ' ' GLU . . . . . . . . . . . . . 18.2 mm-40 -53.81 -43.91 69.74 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.192 -0.458 . . . . 22.33 110.542 179.953 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 140' ' ' GLU . . . . . 0.416 ' OE1' ' N ' ' A' ' 137' ' ' ASN . 1.3 mt-10 -62.79 -33.55 75.43 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.222 -0.445 . . . . 13.45 110.483 179.965 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 141' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER -52.9 -42.52 65.41 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.139 -0.482 . . . . 8.25 110.498 179.976 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 142' ' ' VAL . . . . . . . . . . . . . 79.3 t -60.68 -35.36 63.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.174 -0.466 . . . . 10.15 110.522 -179.977 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 143' ' ' GLN . . . . . . . . . . . . . 8.0 tp-100 -52.23 -54.94 24.8 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.213 -0.449 . . . . 8.24 110.518 -179.976 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 144' ' ' MET . . . . . . . . . . . . . 0.3 OUTLIER -49.85 -34.7 20.75 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.242 -0.435 . . . . 6.68 110.502 -179.982 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 145' ' ' MET . . . . . . . . . . . . . 1.5 ttt . . . . . 0 C--N 1.329 -0.291 0 CA-C-N 116.196 -0.457 . . . . 13.37 110.527 -179.994 . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 21.0 mt-30 . . . . . 0 C--O 1.231 0.111 0 CA-C-O 120.795 0.331 . . . . 23.46 110.606 . . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -79.3 159.54 27.18 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.229 -0.441 . . . . 14.38 110.55 179.979 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 5' ' ' THR . . . . . 0.693 ' HG1' ' NE2' ' A' ' 8' ' ' GLN . 14.1 p -107.01 157.54 17.73 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.202 -0.454 . . . . 7.34 110.56 -179.994 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 30.0 mt-10 -49.97 -49.98 48.49 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.203 -0.453 . . . . 7.12 110.606 179.979 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 7' ' ' GLU . . . . . 0.534 ' C ' ' OE1' ' A' ' 8' ' ' GLN . 9.3 mm-40 -52.59 -28.9 23.05 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.173 -0.467 . . . . 6.85 110.586 179.946 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 8' ' ' GLN . . . . . 0.693 ' NE2' ' HG1' ' A' ' 5' ' ' THR . 0.9 OUTLIER -90.66 -52.82 4.69 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.192 -0.458 . . . . 15.1 110.598 179.977 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 71.0 mt -52.21 -30.17 13.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.185 -0.461 . . . . 4.72 110.56 -179.998 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -72.45 -56.02 6.08 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.189 -0.459 . . . . 6.68 110.541 179.982 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 21.4 mm-40 -43.92 -46.49 8.14 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.21 -0.45 . . . . 18.49 110.626 -179.891 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 12' ' ' PHE . . . . . 0.45 ' CD2' HD23 ' A' ' 69' ' ' LEU . 58.8 m-85 -62.35 -49.45 75.53 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.378 -0.374 . . . . 14.89 110.54 -179.991 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 30.6 mtpt -46.81 -38.62 10.47 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.229 -0.441 . . . . 18.39 110.47 179.957 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 13.2 tt0 -52.89 -39.5 62.75 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.149 -0.478 . . . . 22.76 110.488 179.934 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -57.77 -58.34 8.8 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.19 -0.459 . . . . 5.67 110.542 179.904 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 0.8 OUTLIER -55.22 -20.02 9.62 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.212 -0.449 . . . . 13.28 110.516 179.937 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 3.1 t -85.53 -21.14 28.74 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.098 -0.501 . . . . 12.16 110.45 179.869 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 18' ' ' LEU . . . . . 0.438 ' N ' HD21 ' A' ' 18' ' ' LEU . 2.0 mm? -90.65 -36.75 14.2 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.109 -0.496 . . . . 17.89 110.55 -179.993 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 19' ' ' PHE . . . . . 0.463 ' CE1' HG13 ' A' ' 35' ' ' VAL . 48.0 m-85 -83.83 -50.25 8.28 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.226 -0.443 . . . . 9.14 110.669 -179.939 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 23.3 t0 -68.23 68.04 0.12 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.273 -0.421 . . . . 7.47 110.582 -179.986 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 1.5 tptp -66.46 -19.61 65.84 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.156 -0.474 . . . . 27.75 110.657 -179.935 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 22' ' ' ASP . . . . . 0.568 ' OD1' ' OE1' ' A' ' 31' ' ' GLU . 6.6 m-20 -88.96 -15.24 34.73 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.302 -0.408 . . . . 14.13 110.61 -179.919 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 58.58 33.03 70.34 Favored Glycine 0 CA--C 1.525 0.693 0 N-CA-C 110.913 -0.875 . . . . 11.51 110.913 -179.995 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 22.9 p-10 -83.34 -30.16 27.7 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.808 0.337 . . . . 14.28 110.664 179.976 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 105.13 6.8 39.03 Favored Glycine 0 CA--C 1.525 0.691 0 N-CA-C 110.932 -0.867 . . . . 9.47 110.932 -179.996 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 1.8 p -148.68 136.85 21.0 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.797 0.332 . . . . 16.41 110.563 179.936 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 5.0 mt -109.91 130.21 63.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.218 -0.446 . . . . 8.03 110.516 179.984 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 12.6 p -109.4 175.3 5.5 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.13 -0.487 . . . . 7.8 110.576 -179.991 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -70.17 -19.92 63.17 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.221 -0.445 . . . . 10.04 110.611 -179.994 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 2.4 ttmm -76.12 -38.65 56.58 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.196 -0.456 . . . . 16.38 110.609 -179.973 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 31' ' ' GLU . . . . . 0.568 ' OE1' ' OD1' ' A' ' 22' ' ' ASP . 16.4 mt-10 -79.93 -31.62 40.08 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.238 -0.437 . . . . 5.59 110.479 -179.99 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 3.8 tp -64.31 -58.92 5.12 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.15 -0.477 . . . . 7.72 110.548 -179.968 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -44.08 -46.54 8.01 Favored Glycine 0 CA--C 1.524 0.612 0 N-CA-C 110.896 -0.882 . . . . 6.93 110.896 179.941 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 4.9 m -50.14 -40.7 47.11 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.801 0.334 . . . . 9.63 110.51 179.967 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 35' ' ' VAL . . . . . 0.463 HG13 ' CE1' ' A' ' 19' ' ' PHE . 94.7 t -60.36 -51.31 74.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.192 -0.458 . . . . 7.07 110.523 179.959 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 36' ' ' MET . . . . . . . . . . . . . 6.3 mmt -58.02 -26.09 61.99 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.204 -0.453 . . . . 10.12 110.494 179.985 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 8.2 mtt180 -69.5 -22.58 63.6 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.172 -0.467 . . . . 9.87 110.522 -179.99 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 1.1 t -79.98 -27.63 39.65 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.157 -0.474 . . . . 8.15 110.486 179.989 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 13.1 mt -92.54 15.09 14.97 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.184 -0.462 . . . . 12.78 110.56 179.978 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 62.09 26.23 67.25 Favored Glycine 0 CA--C 1.524 0.64 0 N-CA-C 110.929 -0.869 . . . . 9.6 110.929 -179.969 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 7.7 mt-30 -95.06 151.26 19.34 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.796 0.331 . . . . 20.35 110.631 179.981 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 10.4 m120 -134.56 80.0 52.14 Favored Pre-proline 0 C--N 1.328 -0.326 0 CA-C-N 116.173 -0.467 . . . . 10.22 110.529 179.988 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 60.3 Cg_endo -78.1 152.08 27.53 Favored 'Trans proline' 0 C--N 1.305 -1.713 0 C-N-CA 122.771 2.314 . . . . 8.63 112.24 -179.954 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -87.94 164.29 15.91 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.178 -0.465 . . . . 4.83 110.598 179.98 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 14.2 mt-10 -53.75 -51.58 62.91 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.229 -0.441 . . . . 16.78 110.598 179.945 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -52.66 -36.36 56.74 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.148 -0.478 . . . . 4.8 110.519 -179.989 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 2.5 tp10 -74.29 -56.02 5.36 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.233 -0.439 . . . . 6.18 110.522 -179.959 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 19.9 mt -50.11 -37.22 33.07 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.17 -0.468 . . . . 6.65 110.553 -179.969 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 55.6 mt-30 -76.36 -50.79 13.31 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.214 -0.448 . . . . 7.05 110.519 -179.996 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 26.4 t0 -53.34 -29.63 35.11 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.227 -0.442 . . . . 6.72 110.538 179.97 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 51' ' ' MET . . . . . . . . . . . . . 7.2 mmt -73.33 -55.73 6.01 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.178 -0.464 . . . . 13.6 110.539 -179.995 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 4.5 mm -49.63 -45.24 20.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.173 -0.467 . . . . 8.71 110.497 179.968 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 55.1 t-20 -50.61 -51.41 48.92 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.23 -0.441 . . . . 9.04 110.544 179.998 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 39.3 mt-10 -51.21 -30.11 16.17 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.176 -0.466 . . . . 23.58 110.587 179.998 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 2.4 t -95.0 -26.64 4.32 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.179 -0.464 . . . . 7.6 110.557 -179.994 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 56' ' ' ASP . . . . . 0.597 ' OD1' ' N ' ' A' ' 59' ' ' GLY . 7.5 t0 -107.58 80.41 1.39 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.209 -0.45 . . . . 12.55 110.554 -179.995 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -69.26 -19.15 63.93 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.159 -0.473 . . . . 15.13 110.547 179.962 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -103.81 -4.66 23.3 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.228 -0.442 . . . . 14.32 110.582 -179.975 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 59' ' ' GLY . . . . . 0.597 ' N ' ' OD1' ' A' ' 56' ' ' ASP . . . 44.95 31.07 2.66 Favored Glycine 0 CA--C 1.524 0.63 0 N-CA-C 110.987 -0.845 . . . . 13.64 110.987 -179.98 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -59.26 -10.7 3.16 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.78 0.324 . . . . 13.27 110.562 -179.968 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 105.74 -10.07 44.84 Favored Glycine 0 CA--C 1.525 0.716 0 N-CA-C 110.889 -0.884 . . . . 11.65 110.889 179.952 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 62' ' ' THR . . . . . 0.52 ' O ' ' OD2' ' A' ' 56' ' ' ASP . 0.0 OUTLIER -136.19 173.79 11.32 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.824 0.345 . . . . 11.55 110.524 -179.993 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 63' ' ' ILE . . . . . . . . . . . . . 55.7 mt -111.53 113.81 45.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.202 -0.454 . . . . 10.06 110.684 -179.946 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 64' ' ' ASP . . . . . 0.675 ' OD1' ' N ' ' A' ' 64' ' ' ASP . 0.0 OUTLIER -78.7 145.7 34.38 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.188 -0.46 . . . . 11.33 110.358 179.881 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 65' ' ' PHE . . . . . 0.659 ' N ' ' CD ' ' A' ' 66' ' ' PRO . 0.3 OUTLIER -70.9 -36.87 5.56 Favored Pre-proline 0 C--N 1.331 -0.223 0 CA-C-N 116.472 -0.331 . . . . 7.4 111.078 -179.71 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 66' ' ' PRO . . . . . 0.659 ' CD ' ' N ' ' A' ' 65' ' ' PHE . 37.0 Cg_exo -53.56 -48.68 20.57 Favored 'Trans proline' 0 C--N 1.309 -1.533 0 C-N-CA 122.32 2.013 . . . . 6.66 111.818 179.83 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 67' ' ' GLU . . . . . 0.572 ' OE2' ' OD2' ' A' ' 64' ' ' ASP . 14.5 mt-10 -74.54 -32.31 62.42 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.155 -0.475 . . . . 7.44 110.332 179.819 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 68' ' ' PHE . . . . . . . . . . . . . 35.6 t80 -50.39 -27.96 7.27 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.149 -0.478 . . . . 8.58 110.497 179.912 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 69' ' ' LEU . . . . . 0.45 HD23 ' CD2' ' A' ' 12' ' ' PHE . 0.4 OUTLIER -83.47 -38.01 22.39 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.141 -0.481 . . . . 9.43 110.233 179.534 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 70' ' ' THR . . . . . 0.569 ' O ' ' CB ' ' A' ' 74' ' ' ARG . 0.3 OUTLIER -71.63 -35.91 70.58 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.024 -0.535 . . . . 7.53 110.472 179.999 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 71' ' ' MET . . . . . . . . . . . . . 8.4 tpt -55.98 -43.12 77.29 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.203 -0.453 . . . . 11.86 110.549 179.967 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 72' ' ' MET . . . . . . . . . . . . . 3.3 ptm -89.18 -38.85 13.97 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.19 -0.459 . . . . 22.32 110.571 179.979 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -69.52 -32.22 70.92 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.234 -0.439 . . . . 9.15 110.59 179.98 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 74' ' ' ARG . . . . . 0.569 ' CB ' ' O ' ' A' ' 70' ' ' THR . 64.6 ttt180 -75.09 -42.59 56.31 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.233 -0.44 . . . . 13.8 110.573 -179.939 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 75' ' ' LYS . . . . . 0.477 ' O ' ' OD1' ' A' ' 78' ' ' ASP . 2.3 tmtm? -50.75 -32.53 19.99 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.196 -0.456 . . . . 25.18 110.582 179.967 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 76' ' ' MET . . . . . . . . . . . . . 12.5 mtp -77.91 0.49 23.93 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.168 -0.469 . . . . 34.79 110.594 -179.987 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 7.0 mtpm? -113.51 32.85 5.51 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.183 -0.462 . . . . 37.65 110.556 179.998 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 78' ' ' ASP . . . . . 0.477 ' OD1' ' O ' ' A' ' 75' ' ' LYS . 25.3 p-10 -161.94 -175.53 4.71 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.215 -0.448 . . . . 42.58 110.549 179.985 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 12.6 t -77.45 156.75 30.89 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.201 -0.454 . . . . 38.4 110.527 179.992 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 6.8 p-10 -130.31 163.01 27.74 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.159 -0.473 . . . . 37.51 110.6 -179.99 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 72.5 p -117.12 134.81 54.31 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.219 -0.446 . . . . 33.12 110.551 179.994 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 17.6 mm-40 -57.33 -10.38 1.33 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.186 -0.461 . . . . 34.28 110.632 179.948 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -53.0 -60.43 3.29 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.166 -0.47 . . . . 30.91 110.575 179.993 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 5.6 tt0 -62.56 -55.6 25.73 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.184 -0.462 . . . . 22.86 110.572 179.981 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 85' ' ' ILE . . . . . 0.476 ' CD1' ' SD ' ' A' ' 145' ' ' MET . 16.3 mt -45.43 -27.76 0.62 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.206 -0.452 . . . . 19.17 110.578 179.996 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 46.6 mtt180 -83.39 -52.71 6.29 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.176 -0.466 . . . . 26.85 110.535 -179.953 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 87' ' ' GLU . . . . . 0.484 ' O ' ' CG2' ' A' ' 91' ' ' VAL . 0.6 OUTLIER -53.41 -40.51 65.18 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.224 -0.444 . . . . 16.48 110.547 -179.974 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -78.82 -42.88 26.57 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.24 -0.436 . . . . 9.91 110.602 -179.994 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 89' ' ' PHE . . . . . 0.454 ' CZ ' ' HB2' ' A' ' 138' ' ' TYR . 50.4 t80 -55.84 -36.16 67.2 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.16 -0.473 . . . . 8.53 110.604 -179.984 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 90' ' ' ARG . . . . . 0.404 ' C ' ' N ' ' A' ' 92' ' ' PHE . 19.3 mtp180 -81.26 -43.68 18.84 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.206 -0.452 . . . . 17.58 110.51 -179.991 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 91' ' ' VAL . . . . . 0.484 ' CG2' ' O ' ' A' ' 87' ' ' GLU . 44.4 t -50.08 -16.63 0.39 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.168 -0.469 . . . . 7.82 110.64 -179.891 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 92' ' ' PHE . . . . . 0.404 ' N ' ' C ' ' A' ' 90' ' ' ARG . 14.3 m-85 -94.31 -40.3 10.03 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.189 -0.459 . . . . 9.11 110.528 179.952 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 93' ' ' ASP . . . . . 0.668 ' OD1' ' ND2' ' A' ' 97' ' ' ASN . 2.0 t70 -98.98 71.37 1.86 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.162 -0.472 . . . . 11.11 110.583 -179.993 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 17.6 mtmm -47.93 -19.25 0.23 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.209 -0.45 . . . . 14.57 111.124 -179.629 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . 17.1 t0 -75.18 -12.0 60.2 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 120.842 0.353 . . . . 10.2 110.64 -179.765 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 60.3 9.7 12.98 Favored Glycine 0 CA--C 1.525 0.708 0 N-CA-C 111.009 -0.836 . . . . 6.24 111.009 -179.972 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 97' ' ' ASN . . . . . 0.784 ' ND2' ' H ' ' A' ' 99' ' ' TYR . 0.0 OUTLIER -78.02 -7.25 56.64 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.847 0.356 . . . . 7.56 110.371 179.815 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 98' ' ' GLY . . . . . 0.619 ' N ' HD21 ' A' ' 97' ' ' ASN . . . 73.55 30.16 62.61 Favored Glycine 0 CA--C 1.525 0.678 0 N-CA-C 111.072 -0.811 . . . . 7.08 111.072 179.886 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 99' ' ' TYR . . . . . 0.784 ' H ' ' ND2' ' A' ' 97' ' ' ASN . 82.2 m-85 -140.72 135.07 31.21 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.848 0.356 . . . . 9.0 110.689 179.946 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 8.5 mt -122.06 108.35 21.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.158 -0.473 . . . . 9.29 110.468 179.911 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 5.4 t -86.21 151.59 23.51 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.245 -0.434 . . . . 7.02 110.69 -179.887 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -46.16 -28.27 1.19 Allowed 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.017 -0.538 . . . . 6.41 110.628 -179.998 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -67.79 -39.14 84.08 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.198 -0.455 . . . . 5.01 110.605 179.974 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 2.8 mt-10 -75.32 -49.81 17.97 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.168 -0.469 . . . . 6.84 110.585 179.977 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 105' ' ' LEU . . . . . 0.427 ' C ' ' CD1' ' A' ' 105' ' ' LEU . 0.2 OUTLIER -47.73 -49.86 26.99 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.232 -0.44 . . . . 4.99 110.579 -179.982 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 106' ' ' ARG . . . . . 0.575 ' O ' ' OG1' ' A' ' 110' ' ' THR . 5.3 tmm_? -66.49 -37.81 85.9 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.191 -0.458 . . . . 15.24 110.589 179.972 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 107' ' ' HIS . . . . . . . . . . . . . 10.5 t-160 -58.81 -54.6 45.31 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.165 -0.47 . . . . 15.69 110.518 -179.951 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 108' ' ' VAL . . . . . . . . . . . . . 24.3 t -61.53 -41.72 91.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.218 -0.446 . . . . 12.28 110.603 -179.979 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 109' ' ' MET . . . . . . . . . . . . . 4.9 mtt -76.47 -18.46 58.76 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.18 -0.464 . . . . 9.53 110.61 -179.99 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 110' ' ' THR . . . . . 0.575 ' OG1' ' O ' ' A' ' 106' ' ' ARG . 13.7 m -70.2 -51.69 29.02 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.212 -0.449 . . . . 11.87 110.631 -179.984 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 111' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER -67.95 -18.76 64.85 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.233 -0.44 . . . . 21.65 110.621 -179.987 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -50.08 -31.38 13.08 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.116 -0.493 . . . . 19.55 110.483 -179.996 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . 115.09 4.34 20.82 Favored Glycine 0 CA--C 1.525 0.693 0 N-CA-C 110.901 -0.88 . . . . 19.66 110.901 -179.949 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -124.29 126.23 45.7 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.754 0.311 . . . . 25.55 110.445 179.925 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 23.6 mttt -87.25 111.95 21.53 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.31 -0.405 . . . . 23.26 110.556 -179.975 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 116' ' ' LEU . . . . . . . . . . . . . 4.8 mt -105.51 143.06 34.19 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.184 -0.462 . . . . 23.07 110.592 179.993 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 117' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -69.28 151.62 46.03 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.234 -0.439 . . . . 19.41 110.556 -179.97 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 118' ' ' ASP . . . . . . . . . . . . . 4.3 m-20 -74.11 -28.65 61.45 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.179 -0.464 . . . . 18.08 110.527 -179.989 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 119' ' ' GLU . . . . . . . . . . . . . 5.1 mt-10 -71.77 -28.32 63.55 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.213 -0.449 . . . . 20.16 110.531 -179.978 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 120' ' ' GLU . . . . . . . . . . . . . 7.7 tt0 -83.73 -32.72 25.34 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.227 -0.442 . . . . 14.19 110.577 179.983 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 121' ' ' VAL . . . . . . . . . . . . . 68.9 t -73.82 -49.93 32.03 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.139 -0.482 . . . . 14.97 110.568 -179.98 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 122' ' ' ASP . . . . . 0.632 ' OD2' ' N ' ' A' ' 123' ' ' GLU . 3.4 p-10 -67.34 -43.26 82.01 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.197 -0.456 . . . . 20.12 110.539 -179.982 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 123' ' ' GLU . . . . . 0.632 ' N ' ' OD2' ' A' ' 122' ' ' ASP . 3.9 tm-20 -46.68 -46.46 20.08 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.219 -0.446 . . . . 15.72 110.555 -179.993 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 124' ' ' MET . . . . . . . . . . . . . 2.1 tpt -72.87 -48.81 34.3 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.168 -0.469 . . . . 9.75 110.555 179.991 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 125' ' ' ILE . . . . . 0.516 ' O ' ' OD2' ' A' ' 129' ' ' ASP . 52.8 mt -62.37 -59.92 3.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.211 -0.449 . . . . 11.99 110.582 -179.996 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 126' ' ' ARG . . . . . 0.505 ' N ' ' O ' ' A' ' 122' ' ' ASP . 3.5 tpt180 -45.06 -31.95 1.54 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.195 -0.457 . . . . 27.23 110.588 179.973 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 127' ' ' GLU . . . . . . . . . . . . . 22.4 mt-10 -84.52 -53.3 5.51 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.167 -0.47 . . . . 15.5 110.586 179.966 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 128' ' ' ALA . . . . . . . . . . . . . . . -62.59 -8.42 6.42 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.223 -0.444 . . . . 10.5 110.52 -179.996 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 129' ' ' ASP . . . . . 0.573 ' OD1' ' O ' ' A' ' 135' ' ' GLN . 1.7 m-20 -91.03 93.89 9.38 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.2 -0.455 . . . . 10.86 110.594 179.999 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 130' ' ' ILE . . . . . . . . . . . . . 44.5 mt -48.94 -40.96 12.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.234 -0.439 . . . . 12.26 110.524 -179.935 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 131' ' ' ASP . . . . . . . . . . . . . 2.3 m-20 -87.4 -17.7 31.7 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.226 -0.443 . . . . 7.79 110.557 -179.988 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 132' ' ' GLY . . . . . . . . . . . . . . . 56.61 53.34 44.36 Favored Glycine 0 CA--C 1.525 0.671 0 N-CA-C 110.986 -0.846 . . . . 3.93 110.986 179.975 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 133' ' ' ASP . . . . . 0.532 ' OD1' ' N ' ' A' ' 133' ' ' ASP . 0.7 OUTLIER -100.91 2.87 41.28 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.802 0.334 . . . . 9.56 110.603 179.959 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 134' ' ' GLY . . . . . . . . . . . . . . . 88.29 7.67 72.6 Favored Glycine 0 CA--C 1.524 0.634 0 N-CA-C 110.915 -0.874 . . . . 7.32 110.915 -179.969 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 135' ' ' GLN . . . . . 0.573 ' O ' ' OD1' ' A' ' 129' ' ' ASP . 1.0 OUTLIER -145.72 164.43 31.83 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.801 0.334 . . . . 22.05 110.544 -179.965 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 136' ' ' VAL . . . . . . . . . . . . . 1.5 t -120.97 100.66 9.31 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.249 -0.432 . . . . 10.34 110.671 -179.998 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 137' ' ' ASN . . . . . . . . . . . . . 52.6 p-10 -68.96 165.42 20.11 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.131 -0.486 . . . . 12.02 110.631 -179.984 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 138' ' ' TYR . . . . . 0.454 ' HB2' ' CZ ' ' A' ' 89' ' ' PHE . 34.9 t80 -54.21 -34.42 60.57 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.218 -0.446 . . . . 8.75 110.571 179.974 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 139' ' ' GLU . . . . . . . . . . . . . 4.4 tt0 -61.77 -39.46 91.71 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.153 -0.476 . . . . 22.33 110.549 -179.968 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 140' ' ' GLU . . . . . 0.539 ' O ' ' CB ' ' A' ' 143' ' ' GLN . 6.4 mt-10 -65.15 -39.36 92.88 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.199 -0.455 . . . . 13.45 110.591 179.971 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 141' ' ' PHE . . . . . 0.413 ' C ' ' N ' ' A' ' 143' ' ' GLN . 1.4 m-85 -50.27 -60.28 3.13 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.182 -0.463 . . . . 8.25 110.489 179.973 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 142' ' ' VAL . . . . . . . . . . . . . 60.4 t -46.22 -21.64 0.29 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.199 -0.455 . . . . 10.15 110.497 179.932 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 143' ' ' GLN . . . . . 0.539 ' CB ' ' O ' ' A' ' 140' ' ' GLU . 6.6 tt0 -62.47 -57.16 12.22 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.149 -0.478 . . . . 8.24 110.529 179.91 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 144' ' ' MET . . . . . . . . . . . . . 17.4 ttm -52.32 -18.36 1.55 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.168 -0.469 . . . . 6.68 110.499 179.873 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 145' ' ' MET . . . . . 0.476 ' SD ' ' CD1' ' A' ' 85' ' ' ILE . 5.3 mtp . . . . . 0 C--N 1.33 -0.266 0 CA-C-N 116.155 -0.475 . . . . 13.37 110.637 179.999 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 1.3 tp-100 . . . . . 0 C--O 1.231 0.103 0 CA-C-O 120.79 0.329 . . . . 23.46 110.588 . . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 2.2 tp -82.74 126.97 32.98 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.174 -0.466 . . . . 14.38 110.535 -179.987 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 0.5 OUTLIER -67.56 148.92 50.8 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.154 -0.475 . . . . 7.34 110.591 179.978 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 5.7 pt-20 -53.93 -41.74 68.03 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.205 -0.452 . . . . 7.12 110.556 -179.958 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 32.3 mt-10 -52.63 -37.69 58.92 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.233 -0.44 . . . . 6.85 110.596 179.966 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 22.7 mt-30 -80.46 -46.15 16.4 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.228 -0.442 . . . . 15.1 110.533 -179.986 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 28.2 mt -57.22 -24.21 20.57 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.198 -0.455 . . . . 4.72 110.55 -179.987 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -78.71 -59.26 2.85 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.233 -0.44 . . . . 6.68 110.63 179.99 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 53.1 mt-10 -48.21 -35.89 12.72 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.188 -0.46 . . . . 18.49 110.595 179.965 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 12' ' ' PHE . . . . . 0.463 ' CD2' HD23 ' A' ' 69' ' ' LEU . 4.9 m-85 -63.11 -45.57 91.38 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.191 -0.458 . . . . 14.89 110.61 179.966 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 28.7 mtpt -46.97 -32.94 4.23 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.183 -0.462 . . . . 18.39 110.522 179.999 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 14' ' ' GLU . . . . . 0.481 ' O ' ' OG ' ' A' ' 17' ' ' SER . 23.1 mm-40 -63.75 -46.28 86.02 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.191 -0.459 . . . . 22.76 110.518 179.978 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 15' ' ' ALA . . . . . 0.579 ' O ' ' CB ' ' A' ' 18' ' ' LEU . . . -48.6 -57.31 6.41 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.209 -0.45 . . . . 5.67 110.512 -179.983 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 16' ' ' PHE . . . . . 0.469 ' CE1' ' HB2' ' A' ' 65' ' ' PHE . 0.2 OUTLIER -42.8 -60.12 1.7 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.191 -0.459 . . . . 13.28 110.451 179.999 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 17' ' ' SER . . . . . 0.481 ' OG ' ' O ' ' A' ' 14' ' ' GLU . 70.2 p -45.29 -21.52 0.09 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.217 -0.447 . . . . 12.16 110.413 179.905 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 18' ' ' LEU . . . . . 0.579 ' CB ' ' O ' ' A' ' 15' ' ' ALA . 13.7 tp -67.34 -46.27 73.92 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.066 -0.515 . . . . 17.89 110.458 179.89 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 97.0 m-85 -90.05 -50.15 6.18 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.14 -0.482 . . . . 9.14 110.543 179.938 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 20' ' ' ASP . . . . . 0.558 ' OD2' ' OD1' ' A' ' 24' ' ' ASP . 12.5 t0 -71.88 68.54 0.66 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.209 -0.45 . . . . 7.47 110.512 -179.976 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 13.3 tttt -61.59 -19.71 62.51 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.195 -0.457 . . . . 27.75 110.681 -179.96 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 22' ' ' ASP . . . . . 0.528 ' OD2' ' N ' ' A' ' 22' ' ' ASP . 1.1 m-20 -87.44 -15.47 37.6 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.291 -0.413 . . . . 14.13 110.583 -179.909 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 60.35 32.74 78.11 Favored Glycine 0 CA--C 1.524 0.633 0 N-CA-C 110.917 -0.873 . . . . 11.51 110.917 -179.946 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 24' ' ' ASP . . . . . 0.558 ' OD1' ' OD2' ' A' ' 20' ' ' ASP . 9.2 p-10 -80.84 -27.49 36.47 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.791 0.329 . . . . 14.28 110.591 -179.978 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 105.16 5.79 40.14 Favored Glycine 0 CA--C 1.525 0.692 0 N-CA-C 110.889 -0.884 . . . . 9.47 110.889 -179.963 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 1.4 p -148.72 136.74 20.86 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 120.8 0.333 . . . . 16.41 110.576 -179.965 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 19.1 mt -111.8 138.64 39.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.206 -0.452 . . . . 8.03 110.606 179.999 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 33.1 p -111.25 174.89 5.65 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.172 -0.467 . . . . 7.8 110.521 -179.918 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -73.97 -30.77 62.69 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.178 -0.464 . . . . 10.04 110.588 179.955 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 8.4 pttt -68.44 -33.15 73.69 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.194 -0.457 . . . . 16.38 110.56 179.985 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 21.9 mt-10 -85.29 -31.71 22.92 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.234 -0.439 . . . . 5.59 110.461 179.966 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 65.6 tp -72.08 -30.03 64.71 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.164 -0.471 . . . . 7.72 110.505 179.996 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 33' ' ' GLY . . . . . 0.41 ' CA ' HD21 ' A' ' 48' ' ' LEU . . . -66.81 -48.6 60.36 Favored Glycine 0 CA--C 1.525 0.67 0 N-CA-C 110.863 -0.895 . . . . 6.93 110.863 179.952 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 17.7 m -53.41 -33.09 52.53 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.811 0.338 . . . . 9.63 110.49 179.961 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 42.6 t -61.05 -52.33 62.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.204 -0.453 . . . . 7.07 110.542 179.969 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 36' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -62.08 -33.65 74.82 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.182 -0.463 . . . . 10.12 110.509 179.954 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 37' ' ' ARG . . . . . 0.46 ' HG2' HH21 ' A' ' 37' ' ' ARG . 30.7 ttp85 -59.35 -23.45 62.53 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.149 -0.478 . . . . 9.87 110.52 179.941 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 49.5 m -83.32 -21.24 33.24 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.214 -0.448 . . . . 8.15 110.472 179.931 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 39.1 mt -91.76 15.15 13.44 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.18 -0.464 . . . . 12.78 110.504 179.947 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 67.97 26.52 73.94 Favored Glycine 0 CA--C 1.524 0.65 0 N-CA-C 110.937 -0.865 . . . . 9.6 110.937 179.994 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 84.7 mm-40 -104.28 150.21 24.64 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.811 0.339 . . . . 20.35 110.583 -179.995 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 9.4 t-20 -135.92 80.06 43.55 Favored Pre-proline 0 C--N 1.328 -0.332 0 CA-C-N 116.178 -0.465 . . . . 10.22 110.558 179.984 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 59.7 Cg_endo -77.88 154.85 30.23 Favored 'Trans proline' 0 C--N 1.306 -1.685 0 C-N-CA 122.791 2.328 . . . . 8.63 112.16 -179.85 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 44' ' ' THR . . . . . 0.492 ' HG1' ' H ' ' A' ' 46' ' ' ALA . 3.9 p -85.27 157.7 20.51 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.15 -0.477 . . . . 4.83 110.545 -179.993 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 5.7 mt-10 -56.05 -22.62 28.48 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.238 -0.437 . . . . 16.78 110.576 179.94 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 46' ' ' ALA . . . . . 0.492 ' H ' ' HG1' ' A' ' 44' ' ' THR . . . -83.59 -26.5 29.97 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.201 -0.454 . . . . 4.8 110.543 -179.972 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 39.1 tt0 -76.71 -60.84 2.18 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.242 -0.435 . . . . 6.18 110.528 -179.961 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 48' ' ' LEU . . . . . 0.41 HD21 ' CA ' ' A' ' 33' ' ' GLY . 3.3 tp -54.94 -54.96 35.95 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.227 -0.442 . . . . 6.65 110.579 179.969 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 17.0 tt0 -50.4 -51.98 41.46 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.168 -0.469 . . . . 7.05 110.472 179.964 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 4.4 t70 -69.27 -17.12 63.72 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.18 -0.464 . . . . 6.72 110.484 179.908 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 51' ' ' MET . . . . . . . . . . . . . 1.4 tpt -73.19 -44.59 59.56 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.118 -0.492 . . . . 13.6 110.508 179.996 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 6.5 tt -59.76 -31.92 48.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.196 -0.456 . . . . 8.71 110.521 179.989 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 8.8 m120 -67.94 -37.52 81.72 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.218 -0.446 . . . . 9.04 110.553 -179.981 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 65.3 mt-10 -51.2 -49.81 60.28 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.197 -0.456 . . . . 23.58 110.67 -179.854 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 18.7 m -80.6 -28.29 11.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.228 -0.442 . . . . 7.6 110.584 -179.953 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 56' ' ' ASP . . . . . 0.576 ' OD2' ' OD2' ' A' ' 60' ' ' ASP . 46.3 t0 -92.33 98.48 11.52 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.199 -0.455 . . . . 12.55 110.575 -179.966 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -83.3 -18.05 40.37 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.223 -0.444 . . . . 15.13 110.527 -179.971 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 58' ' ' ASP . . . . . 0.444 ' N ' ' OD1' ' A' ' 58' ' ' ASP . 0.0 OUTLIER -87.83 -11.0 49.15 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.189 -0.46 . . . . 14.32 110.556 -179.99 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 59' ' ' GLY . . . . . 0.547 ' N ' ' OD1' ' A' ' 56' ' ' ASP . . . 47.26 42.9 18.36 Favored Glycine 0 CA--C 1.524 0.633 0 N-CA-C 110.961 -0.856 . . . . 13.64 110.961 -179.947 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 60' ' ' ASP . . . . . 0.576 ' OD2' ' OD2' ' A' ' 56' ' ' ASP . 3.1 p-10 -78.97 -19.79 50.78 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.827 0.346 . . . . 13.27 110.551 -179.946 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 105.69 1.18 39.94 Favored Glycine 0 CA--C 1.525 0.663 0 N-CA-C 110.962 -0.855 . . . . 11.65 110.962 -179.952 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -138.2 178.63 6.98 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.78 0.324 . . . . 11.55 110.555 179.991 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 63' ' ' ILE . . . . . . . . . . . . . 42.8 mm -118.23 104.91 16.87 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.249 -0.432 . . . . 10.06 110.658 -179.974 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 64' ' ' ASP . . . . . 0.521 ' OD1' ' OE1' ' A' ' 67' ' ' GLU . 0.0 OUTLIER -78.79 145.72 34.18 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.205 -0.452 . . . . 11.33 110.276 179.867 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 65' ' ' PHE . . . . . 0.671 ' N ' ' CD ' ' A' ' 66' ' ' PRO . 0.4 OUTLIER -70.87 -37.26 6.03 Favored Pre-proline 0 C--N 1.331 -0.222 0 CA-C-N 116.45 -0.341 . . . . 7.4 110.915 -179.666 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 66' ' ' PRO . . . . . 0.671 ' CD ' ' N ' ' A' ' 65' ' ' PHE . 33.0 Cg_exo -55.33 -54.86 3.68 Favored 'Trans proline' 0 C--N 1.309 -1.545 0 C-N-CA 122.387 2.058 . . . . 6.66 111.843 179.73 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 67' ' ' GLU . . . . . 0.566 ' O ' ' OG1' ' A' ' 70' ' ' THR . 13.5 pt-20 -70.48 -35.31 73.21 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.121 -0.491 . . . . 7.44 110.439 179.824 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 68' ' ' PHE . . . . . . . . . . . . . 54.0 t80 -46.69 -27.16 1.09 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.165 -0.47 . . . . 8.58 110.392 179.881 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 69' ' ' LEU . . . . . 0.463 HD23 ' CD2' ' A' ' 12' ' ' PHE . 0.6 OUTLIER -83.61 -36.47 23.86 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.131 -0.486 . . . . 9.43 110.149 179.456 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 70' ' ' THR . . . . . 0.566 ' OG1' ' O ' ' A' ' 67' ' ' GLU . 30.6 p -61.85 -51.4 68.37 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.038 -0.528 . . . . 7.53 110.503 179.962 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 71' ' ' MET . . . . . 0.523 ' C ' ' SD ' ' A' ' 71' ' ' MET . 2.0 tmt? -48.33 -45.77 35.69 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.154 -0.476 . . . . 11.86 110.472 179.954 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 72' ' ' MET . . . . . . . . . . . . . 43.1 mtp -73.53 -47.56 39.92 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.162 -0.472 . . . . 22.32 110.522 179.988 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -56.67 -48.93 76.54 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.174 -0.466 . . . . 9.15 110.523 -179.982 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 50.5 ttm-85 -45.32 -46.64 13.01 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.214 -0.448 . . . . 13.8 110.51 -179.943 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 5.7 tttp -48.6 -41.86 32.17 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.222 -0.444 . . . . 25.18 110.556 179.982 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 76' ' ' MET . . . . . . . . . . . . . 4.9 ttm -74.6 -23.15 58.68 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.194 -0.457 . . . . 34.79 110.599 179.958 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 9.8 tttp -105.49 17.18 24.31 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.208 -0.451 . . . . 37.65 110.566 179.986 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 78' ' ' ASP . . . . . 0.458 ' CG ' ' H ' ' A' ' 79' ' ' THR . 19.3 t0 -146.28 -160.51 1.16 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.228 -0.442 . . . . 42.58 110.537 -179.956 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 79' ' ' THR . . . . . 0.458 ' H ' ' CG ' ' A' ' 78' ' ' ASP . 0.0 OUTLIER -87.76 160.01 18.23 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.223 -0.444 . . . . 38.4 110.559 179.977 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -114.08 146.56 40.07 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.217 -0.447 . . . . 37.51 110.536 179.995 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 1.4 m -105.16 150.14 25.32 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.193 -0.458 . . . . 33.12 110.612 179.985 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 82' ' ' GLU . . . . . 0.588 ' O ' ' N ' ' A' ' 85' ' ' ILE . 2.4 mm-40 -84.97 -37.2 20.75 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.209 -0.45 . . . . 34.28 110.605 179.996 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 83' ' ' GLU . . . . . 0.494 ' OE2' ' C ' ' A' ' 83' ' ' GLU . 0.4 OUTLIER -43.09 -35.22 1.24 Allowed 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.235 -0.439 . . . . 30.91 110.582 179.978 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 2.2 pt-20 -82.4 -20.37 37.25 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.275 -0.421 . . . . 22.86 110.58 -179.961 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 85' ' ' ILE . . . . . 0.588 ' N ' ' O ' ' A' ' 82' ' ' GLU . 42.0 mt -79.21 -35.3 17.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.218 -0.446 . . . . 19.17 110.578 -179.966 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 86' ' ' ARG . . . . . 0.413 ' NE ' ' HA ' ' A' ' 83' ' ' GLU . 0.0 OUTLIER -76.72 -53.24 8.23 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.182 -0.463 . . . . 26.85 110.573 -179.982 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 87' ' ' GLU . . . . . 0.626 ' O ' ' CG2' ' A' ' 91' ' ' VAL . 3.4 mm-40 -60.37 -60.4 3.87 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.166 -0.47 . . . . 16.48 110.625 -179.973 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -50.21 -33.32 19.0 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.218 -0.447 . . . . 9.91 110.617 -179.99 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 89' ' ' PHE . . . . . 0.476 ' C ' ' CD2' ' A' ' 89' ' ' PHE . 16.8 t80 -79.12 -61.5 1.99 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.249 -0.432 . . . . 8.53 110.571 -179.9 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 2.0 ptm180 -63.55 -19.06 64.48 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.183 -0.462 . . . . 17.58 110.657 -179.908 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 91' ' ' VAL . . . . . 0.626 ' CG2' ' O ' ' A' ' 87' ' ' GLU . 4.6 t -62.15 -36.96 77.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.192 -0.458 . . . . 7.82 110.672 -179.931 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 92' ' ' PHE . . . . . 0.461 ' CD2' HG11 ' A' ' 91' ' ' VAL . 8.2 m-85 -92.01 -13.68 30.61 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.265 -0.425 . . . . 9.11 110.678 -179.911 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 93' ' ' ASP . . . . . 0.575 ' OD2' ' O ' ' A' ' 99' ' ' TYR . 13.3 t70 -94.02 68.74 3.81 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.334 -0.394 . . . . 11.11 110.644 -179.932 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 4.8 tttp -49.2 -25.47 2.26 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.184 -0.462 . . . . 14.57 110.984 -179.724 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 95' ' ' ASP . . . . . 0.506 ' OD1' ' N ' ' A' ' 95' ' ' ASP . 0.3 OUTLIER -75.34 -14.57 60.49 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.833 0.349 . . . . 10.2 110.665 -179.837 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 60.35 9.68 13.12 Favored Glycine 0 CA--C 1.525 0.694 0 N-CA-C 111.067 -0.813 . . . . 6.24 111.067 -179.987 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 97' ' ' ASN . . . . . 0.685 ' O ' ' CE1' ' A' ' 99' ' ' TYR . 32.7 p-10 -69.11 -2.33 9.95 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.921 0.391 . . . . 7.56 110.318 179.801 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 98' ' ' GLY . . . . . 0.476 ' C ' ' CD2' ' A' ' 99' ' ' TYR . . . 66.47 10.88 55.19 Favored Glycine 0 CA--C 1.524 0.644 0 N-CA-C 110.964 -0.855 . . . . 7.08 110.964 179.961 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 99' ' ' TYR . . . . . 0.685 ' CE1' ' O ' ' A' ' 97' ' ' ASN . 1.1 m-85 -128.55 136.0 50.15 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.779 0.323 . . . . 9.0 110.579 179.967 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 41.9 mt -121.3 113.14 38.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.259 -0.428 . . . . 9.29 110.494 179.911 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 101' ' ' SER . . . . . 0.601 ' HG ' ' NE2' ' A' ' 135' ' ' GLN . 16.1 m -89.19 151.72 22.01 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.188 -0.46 . . . . 7.02 110.675 -179.894 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -49.14 -19.41 0.44 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.072 -0.513 . . . . 6.41 110.541 -179.979 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -74.45 -51.97 13.37 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.267 -0.424 . . . . 5.01 110.622 179.959 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 54.0 mt-10 -65.38 -50.63 64.79 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.189 -0.46 . . . . 6.84 110.585 179.979 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 105' ' ' LEU . . . . . . . . . . . . . 28.9 tp -47.65 -49.39 27.54 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.265 -0.425 . . . . 4.99 110.507 -179.978 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 106' ' ' ARG . . . . . 0.572 ' O ' ' OG1' ' A' ' 110' ' ' THR . 4.9 ttp-105 -67.14 -25.21 66.07 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.216 -0.447 . . . . 15.24 110.524 -179.957 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 107' ' ' HIS . . . . . 0.416 ' HD1' ' HA ' ' A' ' 107' ' ' HIS . 1.3 t60 -62.45 -51.93 65.55 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.195 -0.457 . . . . 15.69 110.499 179.98 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 108' ' ' VAL . . . . . 0.493 ' O ' ' N ' ' A' ' 112' ' ' LEU . 26.7 t -62.99 -62.77 1.02 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.195 -0.457 . . . . 12.28 110.544 -179.993 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 109' ' ' MET . . . . . 0.572 ' O ' ' O ' ' A' ' 114' ' ' GLU . 22.2 mmt -48.24 -34.11 9.72 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.203 -0.453 . . . . 9.53 110.712 -179.966 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 110' ' ' THR . . . . . 0.572 ' OG1' ' O ' ' A' ' 106' ' ' ARG . 17.0 m -62.64 -54.49 38.69 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.279 -0.419 . . . . 11.87 110.661 -179.898 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 111' ' ' ASN . . . . . . . . . . . . . 6.1 m120 -83.49 -10.65 58.21 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.255 -0.43 . . . . 21.65 110.63 -179.961 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 112' ' ' LEU . . . . . 0.493 ' N ' ' O ' ' A' ' 108' ' ' VAL . 21.1 tp -65.86 -13.15 59.05 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.209 -0.45 . . . . 19.55 110.562 -179.98 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . 113.91 -5.82 23.95 Favored Glycine 0 CA--C 1.525 0.668 0 N-CA-C 110.989 -0.844 . . . . 19.66 110.989 179.92 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 114' ' ' GLU . . . . . 0.572 ' O ' ' O ' ' A' ' 109' ' ' MET . 5.3 mt-10 -124.33 115.62 21.29 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.789 0.328 . . . . 25.55 110.522 179.949 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 37.7 mttt -79.84 118.17 21.38 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.273 -0.421 . . . . 23.26 110.513 -179.987 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 116' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -111.23 147.79 34.25 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.184 -0.462 . . . . 23.07 110.543 179.994 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 117' ' ' THR . . . . . 0.631 ' HG1' ' H ' ' A' ' 120' ' ' GLU . 6.3 p -83.18 148.78 27.24 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.202 -0.454 . . . . 19.41 110.575 179.969 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 118' ' ' ASP . . . . . 0.518 ' O ' ' CG ' ' A' ' 122' ' ' ASP . 0.5 OUTLIER -69.61 -34.84 74.67 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.208 -0.451 . . . . 18.08 110.565 -179.991 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 119' ' ' GLU . . . . . . . . . . . . . 4.1 tm-20 -63.17 -50.82 68.85 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.218 -0.446 . . . . 20.16 110.576 179.982 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 120' ' ' GLU . . . . . 0.631 ' H ' ' HG1' ' A' ' 117' ' ' THR . 17.7 tt0 -61.98 -48.8 78.74 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.205 -0.452 . . . . 14.19 110.584 -179.963 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 121' ' ' VAL . . . . . . . . . . . . . 85.4 t -64.69 -38.11 81.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.18 -0.463 . . . . 14.97 110.561 179.952 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 122' ' ' ASP . . . . . 0.518 ' CG ' ' O ' ' A' ' 118' ' ' ASP . 57.7 m-20 -73.79 -40.59 63.31 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.185 -0.461 . . . . 20.12 110.585 -179.988 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 123' ' ' GLU . . . . . . . . . . . . . 20.2 tt0 -58.29 -51.96 67.57 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.243 -0.435 . . . . 15.72 110.539 179.976 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 124' ' ' MET . . . . . 0.528 ' SD ' ' O ' ' A' ' 124' ' ' MET . 0.0 OUTLIER -60.9 -52.92 62.98 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.229 -0.441 . . . . 9.75 110.6 179.971 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 125' ' ' ILE . . . . . 0.413 ' CG2' ' OD2' ' A' ' 129' ' ' ASP . 39.4 mt -61.66 -62.73 1.0 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.208 -0.451 . . . . 11.99 110.59 179.956 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 126' ' ' ARG . . . . . . . . . . . . . 28.3 ttp180 -44.6 -25.86 0.31 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.249 -0.432 . . . . 27.23 110.533 179.978 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 127' ' ' GLU . . . . . . . . . . . . . 74.8 tt0 -78.97 -47.29 16.59 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.217 -0.447 . . . . 15.5 110.5 -179.957 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 128' ' ' ALA . . . . . . . . . . . . . . . -75.14 -10.85 59.84 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.205 -0.452 . . . . 10.5 110.606 179.93 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 129' ' ' ASP . . . . . 0.563 ' OD1' ' O ' ' A' ' 135' ' ' GLN . 70.3 m-20 -74.06 92.83 2.19 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.2 -0.455 . . . . 10.86 110.568 179.983 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 130' ' ' ILE . . . . . . . . . . . . . 39.8 mt -49.02 -42.11 14.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.179 -0.464 . . . . 12.26 110.582 -179.978 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 131' ' ' ASP . . . . . 0.573 ' OD1' ' OD1' ' A' ' 133' ' ' ASP . 3.7 p30 -86.07 -17.73 34.35 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.278 -0.419 . . . . 7.79 110.62 179.968 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 132' ' ' GLY . . . . . . . . . . . . . . . 58.81 56.32 25.97 Favored Glycine 0 CA--C 1.525 0.67 0 N-CA-C 110.928 -0.869 . . . . 3.93 110.928 -179.998 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 133' ' ' ASP . . . . . 0.573 ' OD1' ' OD1' ' A' ' 131' ' ' ASP . 1.2 p30 -101.01 -15.73 17.37 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.832 0.349 . . . . 9.56 110.611 -179.984 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 134' ' ' GLY . . . . . . . . . . . . . . . 104.92 12.19 28.4 Favored Glycine 0 CA--C 1.525 0.659 0 N-CA-C 110.937 -0.865 . . . . 7.32 110.937 -179.96 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 135' ' ' GLN . . . . . 0.601 ' NE2' ' HG ' ' A' ' 101' ' ' SER . 30.8 mt-30 -148.73 167.9 24.32 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.73 0.3 . . . . 22.05 110.442 -179.946 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 136' ' ' VAL . . . . . . . . . . . . . 35.3 t -121.63 100.3 8.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.301 -0.409 . . . . 10.34 110.599 179.962 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 137' ' ' ASN . . . . . 0.666 ' ND2' ' OE1' ' A' ' 140' ' ' GLU . 1.1 p-10 -71.23 162.49 29.34 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.158 -0.474 . . . . 12.02 110.657 -179.963 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 138' ' ' TYR . . . . . 0.47 ' CZ ' ' CD2' ' A' ' 89' ' ' PHE . 0.1 OUTLIER -51.39 -34.97 36.71 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.149 -0.478 . . . . 8.75 110.42 179.991 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 139' ' ' GLU . . . . . . . . . . . . . 1.4 tp10 -59.85 -43.28 94.72 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.172 -0.467 . . . . 22.33 110.581 179.978 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 140' ' ' GLU . . . . . 0.666 ' OE1' ' ND2' ' A' ' 137' ' ' ASN . 1.3 mp0 -64.51 -37.42 87.47 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.163 -0.471 . . . . 13.45 110.473 -179.984 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 141' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -56.99 -31.23 64.85 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.186 -0.461 . . . . 8.25 110.502 179.92 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 142' ' ' VAL . . . . . . . . . . . . . 47.6 t -68.5 -21.53 26.29 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.169 -0.469 . . . . 10.15 110.544 179.988 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 143' ' ' GLN . . . . . . . . . . . . . 19.7 mm100 -81.23 -31.34 33.9 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.214 -0.448 . . . . 8.24 110.519 -179.993 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 144' ' ' MET . . . . . 0.439 ' SD ' ' O ' ' A' ' 144' ' ' MET . 1.9 tmt? -79.88 -9.36 59.66 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.245 -0.434 . . . . 6.68 110.589 179.998 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 145' ' ' MET . . . . . 0.428 ' SD ' ' O ' ' A' ' 145' ' ' MET . 0.0 OUTLIER . . . . . 0 C--N 1.328 -0.333 0 CA-C-N 116.213 -0.449 . . . . 13.37 110.61 179.982 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 34.8 tp60 . . . . . 0 C--O 1.231 0.123 0 CA-C-O 120.827 0.346 . . . . 23.46 110.538 . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 1.1 tp -76.34 126.99 31.99 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.187 -0.461 . . . . 14.38 110.605 -179.973 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -74.51 148.63 40.78 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.193 -0.458 . . . . 7.34 110.546 179.963 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 24.1 mt-10 -52.87 -43.55 66.19 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.196 -0.457 . . . . 7.12 110.634 -179.975 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 1.2 tm-20 -51.42 -27.49 10.27 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.216 -0.447 . . . . 6.85 110.552 179.962 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 16.4 mt-30 -87.94 -43.85 11.46 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.237 -0.438 . . . . 15.1 110.575 -179.985 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 9' ' ' ILE . . . . . 0.42 HG22 HD11 ' A' ' 9' ' ' ILE . 97.6 mt -59.0 -30.66 43.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.134 -0.485 . . . . 4.72 110.638 179.953 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -70.55 -59.45 2.83 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.212 -0.449 . . . . 6.68 110.516 -179.983 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 12.6 tt0 -44.07 -40.86 5.15 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.211 -0.45 . . . . 18.49 110.601 -179.995 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 8.0 m-85 -57.75 -42.64 84.35 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.207 -0.452 . . . . 14.89 110.556 -179.988 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 8.8 ttmm -52.01 -40.19 60.64 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.193 -0.458 . . . . 18.39 110.592 179.998 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 1.1 tp10 -59.46 -39.65 84.36 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.188 -0.46 . . . . 22.76 110.576 179.984 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -61.83 -45.28 94.52 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.166 -0.47 . . . . 5.67 110.568 179.968 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 16' ' ' PHE . . . . . 0.465 ' O ' ' N ' ' A' ' 19' ' ' PHE . 4.0 t80 -54.48 -60.16 3.72 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.28 -0.418 . . . . 13.28 110.548 -179.988 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 1.3 m -47.39 -21.74 0.35 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.21 -0.45 . . . . 12.16 110.526 179.994 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 11.9 tp -86.75 -29.13 22.6 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.195 -0.457 . . . . 17.89 110.536 -179.989 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 19' ' ' PHE . . . . . 0.465 ' N ' ' O ' ' A' ' 16' ' ' PHE . 25.1 m-85 -90.07 -50.39 6.03 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.248 -0.433 . . . . 9.14 110.554 -180.0 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 20' ' ' ASP . . . . . 0.454 ' HB2' ' CE2' ' A' ' 16' ' ' PHE . 8.7 t0 -91.91 86.94 6.03 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.26 -0.427 . . . . 7.47 110.558 179.967 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 21' ' ' LYS . . . . . 0.66 ' CB ' ' HZ3' ' A' ' 21' ' ' LYS . 0.3 OUTLIER -74.95 -19.62 60.03 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.15 -0.477 . . . . 27.75 110.697 -179.892 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 22' ' ' ASP . . . . . 0.557 ' OD1' ' OE2' ' A' ' 31' ' ' GLU . 4.7 m-20 -82.17 -15.46 53.18 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.264 -0.425 . . . . 14.13 110.718 -179.869 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 59.6 37.47 92.3 Favored Glycine 0 CA--C 1.525 0.711 0 N-CA-C 110.985 -0.846 . . . . 11.51 110.985 179.981 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 72.0 m-20 -81.71 -27.48 33.9 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.768 0.318 . . . . 14.28 110.607 -179.993 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 105.23 4.42 41.09 Favored Glycine 0 CA--C 1.524 0.644 0 N-CA-C 110.949 -0.86 . . . . 9.47 110.949 -179.996 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 35.0 p -148.7 138.13 21.87 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.823 0.344 . . . . 16.41 110.572 179.994 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 27' ' ' ILE . . . . . 0.479 HG22 HD12 ' A' ' 27' ' ' ILE . 7.4 mm -91.36 122.29 42.63 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.152 -0.476 . . . . 8.03 110.604 -179.99 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 63.1 p -105.63 172.59 6.72 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.225 -0.443 . . . . 7.8 110.574 -179.946 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 22.2 p -73.63 -37.6 65.31 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.212 -0.449 . . . . 10.04 110.618 179.987 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 30' ' ' LYS . . . . . 0.561 ' O ' ' OG1' ' A' ' 34' ' ' THR . 17.7 ttpp -58.27 -34.74 70.84 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.203 -0.453 . . . . 16.38 110.55 -179.973 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 31' ' ' GLU . . . . . 0.557 ' OE2' ' OD1' ' A' ' 22' ' ' ASP . 2.1 mm-40 -85.42 -34.68 21.65 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.24 -0.436 . . . . 5.59 110.555 179.981 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 15.6 tp -62.48 -55.89 23.32 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.126 -0.488 . . . . 7.72 110.626 -179.977 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 33' ' ' GLY . . . . . 0.523 ' O ' ' N ' ' A' ' 37' ' ' ARG . . . -57.31 -48.54 79.59 Favored Glycine 0 CA--C 1.525 0.675 0 N-CA-C 110.921 -0.872 . . . . 6.93 110.921 179.979 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 34' ' ' THR . . . . . 0.561 ' OG1' ' O ' ' A' ' 30' ' ' LYS . 0.1 OUTLIER -52.68 -38.64 60.9 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.808 0.337 . . . . 9.63 110.585 179.996 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 73.4 t -71.45 -42.23 73.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.218 -0.447 . . . . 7.07 110.609 -179.97 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 36' ' ' MET . . . . . . . . . . . . . 9.3 mmt -77.77 -24.1 49.04 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.224 -0.443 . . . . 10.12 110.628 179.957 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 37' ' ' ARG . . . . . 0.523 ' N ' ' O ' ' A' ' 33' ' ' GLY . 49.9 ttm-85 -66.66 -33.53 75.85 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.202 -0.454 . . . . 9.87 110.576 -179.992 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 5.1 t -84.61 -12.85 53.2 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.161 -0.472 . . . . 8.15 110.54 -179.98 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 16.3 mt -79.8 4.97 14.81 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.184 -0.462 . . . . 12.78 110.589 -179.998 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 86.59 9.41 75.28 Favored Glycine 0 CA--C 1.525 0.696 0 N-CA-C 110.91 -0.876 . . . . 9.6 110.91 179.985 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 21.0 tt0 -101.56 146.7 27.33 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 120.817 0.341 . . . . 20.35 110.665 179.998 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 7.8 t-20 -126.81 80.04 71.35 Favored Pre-proline 0 C--N 1.329 -0.288 0 CA-C-N 116.137 -0.483 . . . . 10.22 110.504 -179.977 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 61.1 Cg_endo -78.32 146.91 22.59 Favored 'Trans proline' 0 C--N 1.305 -1.711 0 C-N-CA 122.819 2.346 . . . . 8.63 112.311 -179.9 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 23.1 p -78.87 168.66 19.39 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.095 -0.502 . . . . 4.83 110.456 179.916 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 3.2 mm-40 -65.94 -36.98 84.85 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.238 -0.437 . . . . 16.78 110.553 -179.987 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -70.23 -24.85 63.16 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.162 -0.472 . . . . 4.8 110.613 179.995 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 47' ' ' GLU . . . . . 0.56 ' O ' ' N ' ' A' ' 51' ' ' MET . 3.9 tt0 -79.73 -58.23 3.28 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.141 -0.482 . . . . 6.18 110.546 179.989 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -50.51 -54.78 19.68 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.21 -0.45 . . . . 6.65 110.537 179.961 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 28.5 mm-40 -58.74 -50.67 73.04 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.212 -0.449 . . . . 7.05 110.508 -179.997 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 50' ' ' ASP . . . . . 0.527 ' OD1' ' O ' ' A' ' 50' ' ' ASP . 38.0 t0 -67.21 -25.13 65.96 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.221 -0.445 . . . . 6.72 110.526 179.955 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 51' ' ' MET . . . . . 0.56 ' N ' ' O ' ' A' ' 47' ' ' GLU . 7.1 tpt -63.78 -50.31 69.51 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.2 -0.454 . . . . 13.6 110.567 179.983 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 52' ' ' ILE . . . . . 0.438 HG21 ' N ' ' A' ' 53' ' ' ASN . 6.5 tt -52.53 -36.94 22.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.232 -0.44 . . . . 8.71 110.483 179.949 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 53' ' ' ASN . . . . . 0.438 ' N ' HG21 ' A' ' 52' ' ' ILE . 53.5 t30 -51.77 -45.11 63.63 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.195 -0.457 . . . . 9.04 110.469 179.907 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 39.1 mt-10 -51.12 -45.62 61.65 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.23 -0.441 . . . . 23.58 110.512 -179.971 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 55' ' ' VAL . . . . . 0.537 ' O ' ' CD ' ' A' ' 67' ' ' GLU . 42.1 t -87.54 -11.05 10.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.229 -0.441 . . . . 7.6 110.532 179.959 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 56' ' ' ASP . . . . . 0.547 ' OD1' ' OD1' ' A' ' 60' ' ' ASP . 10.7 t0 -107.59 90.94 3.45 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.249 -0.432 . . . . 12.55 110.577 179.998 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -80.57 -32.4 36.6 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.166 -0.47 . . . . 15.13 110.563 -179.999 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 2.7 m-20 -80.7 -9.19 59.81 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.231 -0.44 . . . . 14.32 110.563 180.0 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 55.47 38.48 70.31 Favored Glycine 0 CA--C 1.524 0.624 0 N-CA-C 110.954 -0.859 . . . . 13.64 110.954 -179.983 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 60' ' ' ASP . . . . . 0.547 ' OD1' ' OD1' ' A' ' 56' ' ' ASP . 0.1 OUTLIER -79.8 -23.17 42.3 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.787 0.327 . . . . 13.27 110.512 -179.994 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 105.7 -2.61 39.09 Favored Glycine 0 CA--C 1.525 0.68 0 N-CA-C 110.931 -0.868 . . . . 11.65 110.931 -179.982 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -143.75 175.09 10.25 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.765 0.317 . . . . 11.55 110.61 179.959 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 63' ' ' ILE . . . . . 0.434 HD13 HG21 ' A' ' 63' ' ' ILE . 48.9 mm -124.18 141.03 45.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.2 -0.455 . . . . 10.06 110.628 -179.913 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 64' ' ' ASP . . . . . 0.416 ' OD1' ' N ' ' A' ' 64' ' ' ASP . 24.6 p-10 -117.77 -172.68 2.29 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.184 -0.462 . . . . 11.33 110.439 179.893 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 65' ' ' PHE . . . . . 0.427 ' CB ' ' HD3' ' A' ' 66' ' ' PRO . 0.2 OUTLIER -67.48 -53.87 21.08 Favored Pre-proline 0 C--N 1.331 -0.225 0 CA-C-N 116.528 -0.306 . . . . 7.4 110.836 -179.605 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 66' ' ' PRO . . . . . 0.543 ' O ' ' OG1' ' A' ' 70' ' ' THR . 44.8 Cg_exo -51.33 -40.91 61.07 Favored 'Trans proline' 0 C--N 1.309 -1.55 0 C-N-CA 122.506 2.137 . . . . 6.66 112.059 179.919 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 67' ' ' GLU . . . . . 0.537 ' CD ' ' O ' ' A' ' 55' ' ' VAL . 16.2 tt0 -83.73 -29.99 27.07 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.054 -0.521 . . . . 7.44 110.747 -179.824 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 68' ' ' PHE . . . . . . . . . . . . . 31.6 t80 -64.92 -36.31 83.97 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.265 -0.425 . . . . 8.58 110.653 -179.927 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 6.5 mp -83.47 -44.36 14.81 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.364 -0.38 . . . . 9.43 110.323 179.617 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 70' ' ' THR . . . . . 0.543 ' OG1' ' O ' ' A' ' 66' ' ' PRO . 35.0 m -51.89 -46.04 64.4 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.115 -0.493 . . . . 7.53 110.489 179.992 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 71' ' ' MET . . . . . 0.62 ' C ' ' SD ' ' A' ' 71' ' ' MET . 0.1 OUTLIER -53.44 -46.8 70.0 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.157 -0.474 . . . . 11.86 110.597 179.889 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 72' ' ' MET . . . . . 0.485 ' N ' ' SD ' ' A' ' 71' ' ' MET . 79.0 mmm -74.95 -49.69 19.23 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.148 -0.478 . . . . 22.32 110.583 -179.999 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -57.59 -46.14 84.38 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.206 -0.452 . . . . 9.15 110.606 -179.901 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 74' ' ' ARG . . . . . 0.526 ' O ' ' N ' ' A' ' 77' ' ' LYS . 27.7 mtm180 -45.33 -52.56 9.65 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.262 -0.426 . . . . 13.8 110.594 -179.966 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 42.6 mttm -45.41 -40.29 7.96 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.226 -0.443 . . . . 25.18 110.583 179.96 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 76' ' ' MET . . . . . . . . . . . . . 20.9 mmm -72.18 -18.72 61.84 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.18 -0.463 . . . . 34.79 110.631 -179.991 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 77' ' ' LYS . . . . . 0.535 ' O ' ' OD2' ' A' ' 78' ' ' ASP . 13.9 mmmt -113.07 39.99 2.43 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.199 -0.455 . . . . 37.65 110.625 179.986 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 78' ' ' ASP . . . . . 0.535 ' OD2' ' O ' ' A' ' 77' ' ' LYS . 50.2 m-20 -170.31 -177.3 2.43 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.216 -0.447 . . . . 42.58 110.591 -180.0 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -72.24 161.79 30.36 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.213 -0.449 . . . . 38.4 110.611 179.996 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 32.0 t70 -128.75 152.27 48.62 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.228 -0.442 . . . . 37.51 110.598 179.95 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 81' ' ' SER . . . . . 0.411 ' C ' ' H ' ' A' ' 83' ' ' GLU . 0.8 OUTLIER -114.83 118.21 32.9 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.193 -0.458 . . . . 33.12 110.584 -179.999 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 5.0 mt-10 -56.33 -10.45 0.91 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.268 -0.424 . . . . 34.28 110.567 179.987 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 83' ' ' GLU . . . . . 0.411 ' H ' ' C ' ' A' ' 81' ' ' SER . 15.6 tt0 -66.16 -42.3 89.17 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.238 -0.437 . . . . 30.91 110.538 179.99 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 13.6 tp10 -67.51 -34.55 77.36 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.207 -0.451 . . . . 22.86 110.571 179.977 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 85' ' ' ILE . . . . . . . . . . . . . 10.3 mt -72.08 -21.48 20.66 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.233 -0.439 . . . . 19.17 110.635 179.993 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 45.6 mtt180 -79.4 -55.57 4.96 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.167 -0.469 . . . . 26.85 110.565 179.97 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 87' ' ' GLU . . . . . 0.609 ' O ' ' N ' ' A' ' 91' ' ' VAL . 0.3 OUTLIER -56.41 -61.39 2.44 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.22 -0.445 . . . . 16.48 110.56 -179.962 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -46.11 -49.31 16.77 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.227 -0.442 . . . . 9.91 110.602 -179.951 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 89' ' ' PHE . . . . . 0.678 ' CD2' ' CZ ' ' A' ' 138' ' ' TYR . 24.7 t80 -63.62 -59.12 5.02 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.18 -0.463 . . . . 8.53 110.537 179.958 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 61.7 ttt-85 -63.58 -18.49 63.94 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.157 -0.474 . . . . 17.58 110.614 180.0 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 91' ' ' VAL . . . . . 0.609 ' N ' ' O ' ' A' ' 87' ' ' GLU . 7.1 t -69.89 -20.84 23.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.164 -0.471 . . . . 7.82 110.7 -179.972 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 92' ' ' PHE . . . . . 0.444 ' CD1' HG13 ' A' ' 108' ' ' VAL . 12.1 m-85 -95.43 -31.67 13.27 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.29 -0.414 . . . . 9.11 110.672 -179.883 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 93' ' ' ASP . . . . . 0.491 ' OD2' ' N ' ' A' ' 97' ' ' ASN . 15.6 t70 -82.77 68.73 9.36 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.269 -0.423 . . . . 11.11 110.719 -179.829 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 17.4 tttt -45.79 -18.28 0.04 OUTLIER 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.141 -0.481 . . . . 14.57 111.215 -179.742 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 95' ' ' ASP . . . . . 0.534 ' OD1' ' OE2' ' A' ' 104' ' ' GLU . 0.0 OUTLIER -75.09 -8.71 57.31 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-O 120.898 0.38 . . . . 10.2 110.653 -179.764 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 60.2 9.53 11.87 Favored Glycine 0 CA--C 1.525 0.684 0 N-CA-C 110.855 -0.898 . . . . 6.24 110.855 -179.894 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 97' ' ' ASN . . . . . 0.54 ' ND2' ' O ' ' A' ' 97' ' ' ASN . 1.7 t-20 -83.7 -20.04 34.19 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.854 0.359 . . . . 7.56 110.368 179.871 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . 82.99 30.04 32.7 Favored Glycine 0 CA--C 1.525 0.687 0 N-CA-C 111.092 -0.803 . . . . 7.08 111.092 179.844 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 99' ' ' TYR . . . . . 0.665 ' CE2' ' OD1' ' A' ' 137' ' ' ASN . 28.9 m-85 -130.78 134.82 47.19 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.826 0.346 . . . . 9.0 110.622 179.889 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 100' ' ' ILE . . . . . 0.439 HG23 HD11 ' A' ' 100' ' ' ILE . 77.1 mt -122.23 99.31 6.77 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.257 0 CA-C-N 116.119 -0.491 . . . . 9.29 110.667 -179.987 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 101' ' ' SER . . . . . 0.492 ' O ' ' N ' ' A' ' 103' ' ' ALA . 41.7 m -88.44 151.69 22.39 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.247 -0.433 . . . . 7.02 110.595 -179.945 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -42.77 -20.75 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.124 -0.489 . . . . 6.41 110.641 -179.9 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 103' ' ' ALA . . . . . 0.492 ' N ' ' O ' ' A' ' 101' ' ' SER . . . -83.35 -60.05 2.26 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.26 -0.427 . . . . 5.01 110.647 179.97 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 104' ' ' GLU . . . . . 0.534 ' OE2' ' OD1' ' A' ' 95' ' ' ASP . 47.5 mt-10 -50.59 -48.2 57.78 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.205 -0.452 . . . . 6.84 110.574 179.968 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 105' ' ' LEU . . . . . . . . . . . . . 9.1 tp -53.79 -42.1 67.96 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.218 -0.446 . . . . 4.99 110.545 -179.952 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 106' ' ' ARG . . . . . 0.57 ' O ' ' OG1' ' A' ' 110' ' ' THR . 18.9 mtp-105 -71.25 -19.32 62.37 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.232 -0.44 . . . . 15.24 110.594 -179.988 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 107' ' ' HIS . . . . . . . . . . . . . 1.2 t60 -73.68 -46.34 47.0 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.212 -0.449 . . . . 15.69 110.678 -179.925 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 108' ' ' VAL . . . . . 0.444 HG13 ' CD1' ' A' ' 92' ' ' PHE . 58.4 t -81.61 -61.07 1.86 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.225 -0.443 . . . . 12.28 110.669 -179.876 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 109' ' ' MET . . . . . . . . . . . . . 20.6 mmm -47.57 -17.72 0.1 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.23 -0.441 . . . . 9.53 110.664 -179.789 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 110' ' ' THR . . . . . 0.57 ' OG1' ' O ' ' A' ' 106' ' ' ARG . 1.4 m -79.99 -43.94 21.11 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.334 -0.394 . . . . 11.87 110.729 -179.905 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 111' ' ' ASN . . . . . . . . . . . . . 9.5 m-20 -61.57 -16.28 46.52 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.401 -0.363 . . . . 21.65 110.709 -179.836 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 112' ' ' LEU . . . . . 0.414 ' N ' HD22 ' A' ' 112' ' ' LEU . 3.8 mm? -49.93 -34.3 20.17 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.33 -0.396 . . . . 19.55 110.562 -179.985 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . 115.64 9.95 12.02 Favored Glycine 0 CA--C 1.525 0.664 0 N-CA-C 110.732 -0.947 . . . . 19.66 110.732 -179.718 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 114' ' ' GLU . . . . . 0.505 ' O ' ' CD2' ' A' ' 116' ' ' LEU . 7.3 pt-20 -124.39 129.23 50.32 Favored 'General case' 0 C--N 1.329 -0.29 0 N-CA-C 110.194 -0.299 . . . . 25.55 110.194 179.602 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 25.3 mtmt -78.93 116.83 19.49 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.809 0.338 . . . . 23.26 110.74 -179.884 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 116' ' ' LEU . . . . . 0.505 ' CD2' ' O ' ' A' ' 114' ' ' GLU . 0.2 OUTLIER -107.84 159.02 16.83 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.182 -0.463 . . . . 23.07 110.467 179.936 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 117' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -97.77 148.66 23.15 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.176 -0.465 . . . . 19.41 110.559 -179.983 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 118' ' ' ASP . . . . . 0.512 ' OD2' ' NH1' ' A' ' 106' ' ' ARG . 0.0 OUTLIER -70.49 -38.64 74.37 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.216 -0.447 . . . . 18.08 110.576 179.989 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 119' ' ' GLU . . . . . 0.494 ' O ' ' CD ' ' A' ' 123' ' ' GLU . 31.9 mt-10 -57.15 -31.47 65.4 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.215 -0.448 . . . . 20.16 110.567 179.986 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 120' ' ' GLU . . . . . . . . . . . . . 61.2 mt-10 -80.06 -60.07 2.48 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.197 -0.456 . . . . 14.19 110.576 179.975 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 121' ' ' VAL . . . . . . . . . . . . . 64.3 t -51.27 -51.98 21.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.161 -0.472 . . . . 14.97 110.543 -179.968 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 122' ' ' ASP . . . . . . . . . . . . . 42.8 m-20 -54.87 -38.28 67.31 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.168 -0.469 . . . . 20.12 110.534 -179.976 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 123' ' ' GLU . . . . . 0.661 ' O ' ' N ' ' A' ' 127' ' ' GLU . 26.6 mt-10 -70.77 -50.25 37.97 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.224 -0.444 . . . . 15.72 110.562 179.982 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 124' ' ' MET . . . . . . . . . . . . . 0.2 OUTLIER -52.75 -61.21 2.44 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.155 -0.475 . . . . 9.75 110.561 -179.947 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 125' ' ' ILE . . . . . 0.512 ' CG2' ' N ' ' A' ' 126' ' ' ARG . 10.3 tt -55.52 -41.0 61.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.175 -0.466 . . . . 11.99 110.585 179.999 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 126' ' ' ARG . . . . . 0.512 ' N ' ' CG2' ' A' ' 125' ' ' ILE . 7.4 tmm_? -79.42 -19.31 50.3 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.201 -0.454 . . . . 27.23 110.592 -179.986 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 127' ' ' GLU . . . . . 0.661 ' N ' ' O ' ' A' ' 123' ' ' GLU . 6.7 mm-40 -85.17 -19.45 31.73 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.261 -0.427 . . . . 15.5 110.56 -179.969 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 128' ' ' ALA . . . . . . . . . . . . . . . -100.27 -31.13 11.51 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.238 -0.437 . . . . 10.5 110.591 179.948 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 129' ' ' ASP . . . . . 0.606 ' OD2' ' N ' ' A' ' 132' ' ' GLY . 30.3 t0 -60.82 94.81 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.154 -0.475 . . . . 10.86 110.601 -179.914 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 130' ' ' ILE . . . . . 0.632 ' H ' ' CD1' ' A' ' 130' ' ' ILE . 0.0 OUTLIER -48.46 -23.82 0.86 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.109 -0.496 . . . . 12.26 110.729 -179.733 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 131' ' ' ASP . . . . . 0.551 ' N ' ' OD2' ' A' ' 129' ' ' ASP . 0.0 OUTLIER -97.73 -18.13 19.0 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.397 -0.365 . . . . 7.79 110.596 179.972 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 132' ' ' GLY . . . . . 0.606 ' N ' ' OD2' ' A' ' 129' ' ' ASP . . . 62.0 55.57 27.37 Favored Glycine 0 CA--C 1.525 0.706 0 N-CA-C 110.833 -0.907 . . . . 3.93 110.833 -179.942 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 133' ' ' ASP . . . . . 0.481 ' H ' ' CG ' ' A' ' 129' ' ' ASP . 21.1 t0 -100.93 10.45 41.1 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.757 0.313 . . . . 9.56 110.64 -179.935 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 134' ' ' GLY . . . . . . . . . . . . . . . 72.18 -3.9 20.49 Favored Glycine 0 CA--C 1.525 0.669 0 N-CA-C 110.855 -0.898 . . . . 7.32 110.855 -179.944 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 135' ' ' GLN . . . . . 0.662 ' NE2' ' O ' ' A' ' 136' ' ' VAL . 1.5 tm0? -137.84 158.54 44.13 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.77 0.319 . . . . 22.05 110.39 179.931 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 136' ' ' VAL . . . . . 0.662 ' O ' ' NE2' ' A' ' 135' ' ' GLN . 13.6 t -108.04 134.27 50.39 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.283 -0.417 . . . . 10.34 110.626 -179.978 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 137' ' ' ASN . . . . . 0.665 ' OD1' ' CE2' ' A' ' 99' ' ' TYR . 33.9 m-20 -110.04 159.36 17.37 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.107 -0.497 . . . . 12.02 110.207 179.467 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 138' ' ' TYR . . . . . 0.678 ' CZ ' ' CD2' ' A' ' 89' ' ' PHE . 0.8 OUTLIER -54.69 -31.72 58.29 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.823 0.344 . . . . 8.75 110.396 179.864 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 139' ' ' GLU . . . . . . . . . . . . . 82.8 mt-10 -66.03 -42.56 89.44 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.157 -0.474 . . . . 22.33 110.501 179.879 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 140' ' ' GLU . . . . . . . . . . . . . 1.8 mt-10 -63.48 -38.92 92.97 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.151 -0.477 . . . . 13.45 110.375 179.96 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 141' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -50.05 -38.56 38.56 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.143 -0.481 . . . . 8.25 110.34 179.846 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 142' ' ' VAL . . . . . . . . . . . . . 88.7 t -73.52 -37.01 49.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.147 -0.479 . . . . 10.15 110.481 179.936 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 143' ' ' GLN . . . . . 0.628 ' O ' ' N ' ' A' ' 147' ' ' ALA . 17.9 mm100 -48.51 -54.87 12.68 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.178 -0.465 . . . . 8.24 110.492 179.986 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 144' ' ' MET . . . . . . . . . . . . . 31.4 ttp -49.1 -46.6 45.02 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.199 -0.455 . . . . 6.68 110.422 179.974 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 145' ' ' MET . . . . . . . . . . . . . 22.4 ttm -77.57 -12.38 59.96 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.141 -0.481 . . . . 13.37 110.518 179.902 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 146' ' ' THR . . . . . . . . . . . . . 79.5 m -113.08 4.8 16.82 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.132 -0.485 . . . . 10.78 110.584 179.938 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 147' ' ' ALA . . . . . 0.628 ' N ' ' O ' ' A' ' 143' ' ' GLN . . . -106.38 104.64 14.38 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.126 -0.488 . . . . 18.52 110.571 179.918 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 148' ' ' LYS . . . . . . . . . . . . . 24.2 mttm . . . . . 0 C--O 1.221 -0.445 0 CA-C-O 118.012 -0.995 . . . . 23.42 110.553 -179.949 . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 401' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 402' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 403' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 404' ' ' ' TB' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 3' ' ' GLN . . . . . 0.426 ' CG ' ' H ' ' A' ' 4' ' ' LEU . 3.6 pm0 . . . . . 0 C--O 1.231 0.122 0 CA-C-O 120.794 0.331 . . . . 23.46 110.587 . . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 4' ' ' LEU . . . . . 0.426 ' H ' ' CG ' ' A' ' 3' ' ' GLN . 1.5 tp -83.95 127.83 34.13 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.21 -0.45 . . . . 14.38 110.567 179.999 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 5' ' ' THR . . . . . 0.461 ' H ' ' HG1' ' A' ' 5' ' ' THR . 0.2 OUTLIER -66.38 148.57 51.68 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.197 -0.456 . . . . 7.34 110.604 179.995 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 86.9 mt-10 -51.72 -40.9 61.01 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.211 -0.45 . . . . 7.12 110.574 179.957 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 2.8 tp10 -51.49 -59.6 4.07 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.207 -0.451 . . . . 6.85 110.546 -179.964 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 6.6 mm100 -60.6 -47.01 88.1 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.175 -0.466 . . . . 15.1 110.56 -179.948 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 9' ' ' ILE . . . . . 0.412 HG21 HD12 ' A' ' 9' ' ' ILE . 96.5 mt -53.85 -29.51 18.18 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.213 -0.449 . . . . 4.72 110.594 -179.994 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -75.04 -59.29 2.8 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.177 -0.465 . . . . 6.68 110.569 -179.973 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -49.07 -28.04 3.82 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.207 -0.452 . . . . 18.49 110.596 179.986 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 12' ' ' PHE . . . . . 0.54 ' CG ' ' CD2' ' A' ' 69' ' ' LEU . 2.1 m-85 -68.38 -49.58 59.11 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.198 -0.455 . . . . 14.89 110.54 179.999 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 7.2 tttm -46.86 -26.69 1.03 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.186 -0.461 . . . . 18.39 110.565 179.983 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 63.7 mm-40 -66.86 -46.35 75.31 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.139 -0.482 . . . . 22.76 110.506 179.909 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -52.88 -28.01 21.2 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.144 -0.48 . . . . 5.67 110.558 179.963 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 16' ' ' PHE . . . . . 0.475 ' CE2' ' CB ' ' A' ' 20' ' ' ASP . 14.3 t80 -70.74 -60.12 2.43 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.19 -0.459 . . . . 13.28 110.525 179.981 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 2.5 m -46.36 -21.51 0.17 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.208 -0.451 . . . . 12.16 110.512 179.936 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 18' ' ' LEU . . . . . 0.405 ' N ' ' C ' ' A' ' 16' ' ' PHE . 1.7 mm? -70.86 -46.19 63.09 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.094 -0.503 . . . . 17.89 110.521 179.973 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 65.1 m-85 -90.01 -50.28 6.11 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.217 -0.447 . . . . 9.14 110.535 179.9 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 20' ' ' ASP . . . . . 0.507 ' OD2' ' CD1' ' A' ' 27' ' ' ILE . 6.1 t70 -69.03 68.46 0.17 Allowed 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.221 -0.445 . . . . 7.47 110.566 -179.966 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 3.8 tttm -75.14 -19.58 59.82 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.17 -0.468 . . . . 27.75 110.617 -179.946 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 2.8 m-20 -85.32 -15.23 44.02 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.285 -0.416 . . . . 14.13 110.648 -179.937 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 55.64 34.76 60.88 Favored Glycine 0 CA--C 1.524 0.648 0 N-CA-C 110.939 -0.864 . . . . 11.51 110.939 179.976 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -82.54 -25.8 33.04 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.756 0.312 . . . . 14.28 110.599 -179.986 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 105.18 -4.97 41.41 Favored Glycine 0 CA--C 1.523 0.59 0 N-CA-C 110.92 -0.872 . . . . 9.47 110.92 -179.974 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -141.79 152.55 43.84 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.755 0.312 . . . . 16.41 110.52 -179.965 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 27' ' ' ILE . . . . . 0.507 ' CD1' ' OD2' ' A' ' 20' ' ' ASP . 4.6 mm -120.24 127.71 75.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.239 -0.437 . . . . 8.03 110.547 -179.942 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 28' ' ' THR . . . . . 0.731 ' HG1' ' N ' ' A' ' 29' ' ' THR . 0.1 OUTLIER -111.05 171.21 7.6 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.168 -0.469 . . . . 7.8 110.556 179.944 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 29' ' ' THR . . . . . 0.731 ' N ' ' HG1' ' A' ' 28' ' ' THR . 0.5 OUTLIER -67.59 -16.2 64.05 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.241 -0.436 . . . . 10.04 110.577 179.985 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -77.11 -38.28 52.49 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.168 -0.469 . . . . 16.38 110.595 -179.976 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 51.9 mt-10 -81.33 -31.59 33.41 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.21 -0.45 . . . . 5.59 110.533 180.0 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 32' ' ' LEU . . . . . 0.482 ' CD1' ' C ' ' A' ' 32' ' ' LEU . 0.2 OUTLIER -63.87 -59.82 4.05 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.149 -0.478 . . . . 7.72 110.545 179.978 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -45.42 -49.74 10.82 Favored Glycine 0 CA--C 1.525 0.673 0 N-CA-C 110.894 -0.882 . . . . 6.93 110.894 179.982 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -46.41 -41.46 13.74 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.8 0.333 . . . . 9.63 110.537 -179.983 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 89.2 t -60.75 -46.15 96.54 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.199 -0.455 . . . . 7.07 110.481 179.98 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 36' ' ' MET . . . . . . . . . . . . . 21.9 mmt -60.64 -30.88 70.14 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.225 -0.443 . . . . 10.12 110.553 179.929 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 1.2 tpt85 -62.78 -24.02 67.52 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.157 -0.474 . . . . 9.87 110.501 179.978 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 1.3 m -82.09 -23.44 35.74 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.166 -0.47 . . . . 8.15 110.484 179.957 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 9.7 mt -91.8 14.69 14.69 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.207 -0.451 . . . . 12.78 110.516 179.953 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 64.39 26.95 71.05 Favored Glycine 0 CA--C 1.525 0.664 0 N-CA-C 110.916 -0.874 . . . . 9.6 110.916 179.982 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 12.3 mt-30 -101.45 155.27 18.16 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.824 0.345 . . . . 20.35 110.587 -179.968 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 5.0 m-20 -127.71 81.21 70.66 Favored Pre-proline 0 C--N 1.329 -0.315 0 CA-C-N 116.208 -0.451 . . . . 10.22 110.5 -179.993 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 59.5 Cg_endo -77.93 144.41 21.53 Favored 'Trans proline' 0 C--N 1.306 -1.665 0 C-N-CA 122.76 2.307 . . . . 8.63 112.245 -179.912 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 44' ' ' THR . . . . . 0.411 ' O ' ' N ' ' A' ' 47' ' ' GLU . 16.5 p -94.1 151.34 19.57 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.125 -0.489 . . . . 4.83 110.586 179.996 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 13.3 tt0 -46.65 -48.77 19.92 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.23 -0.441 . . . . 16.78 110.547 179.997 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -58.7 -18.96 35.63 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.199 -0.455 . . . . 4.8 110.531 179.972 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 47' ' ' GLU . . . . . 0.411 ' N ' ' O ' ' A' ' 44' ' ' THR . 0.3 OUTLIER -82.51 -57.27 3.42 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.211 -0.449 . . . . 6.18 110.554 179.997 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 17.9 mt -58.01 -54.94 41.32 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.177 -0.465 . . . . 6.65 110.564 179.973 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 35.2 tt0 -50.14 -44.38 52.4 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.222 -0.445 . . . . 7.05 110.557 179.981 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 12.6 t0 -74.27 -31.23 62.46 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.243 -0.435 . . . . 6.72 110.557 -179.997 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 51' ' ' MET . . . . . . . . . . . . . 13.8 tpt -66.65 -46.82 74.49 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.201 -0.454 . . . . 13.6 110.482 -179.993 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 38.5 mm -50.63 -48.18 27.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.195 -0.457 . . . . 8.71 110.523 179.997 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 2.9 t30 -50.54 -46.35 57.38 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.236 -0.438 . . . . 9.04 110.598 179.999 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 1.3 tt0 -51.2 -30.02 15.83 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.226 -0.443 . . . . 23.58 110.539 -179.919 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 59.7 t -95.0 -19.09 6.53 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.216 -0.447 . . . . 7.6 110.557 179.991 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 56' ' ' ASP . . . . . 0.568 ' OD1' ' O ' ' A' ' 62' ' ' THR . 0.5 OUTLIER -99.49 111.94 24.22 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.196 -0.456 . . . . 12.55 110.565 -179.986 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -80.97 -23.06 39.05 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.214 -0.448 . . . . 15.13 110.562 179.995 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 58' ' ' ASP . . . . . 0.611 ' N ' ' OD1' ' A' ' 58' ' ' ASP . 0.6 OUTLIER -94.82 -10.38 31.57 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.183 -0.462 . . . . 14.32 110.611 179.966 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 55.62 45.02 86.11 Favored Glycine 0 CA--C 1.525 0.661 0 N-CA-C 110.892 -0.883 . . . . 13.64 110.892 179.95 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 60' ' ' ASP . . . . . 0.564 ' OD1' ' OD1' ' A' ' 58' ' ' ASP . 1.9 p-10 -88.17 -25.5 22.9 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.886 0.375 . . . . 13.27 110.603 179.946 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 105.63 18.95 10.89 Favored Glycine 0 CA--C 1.525 0.668 0 N-CA-C 110.912 -0.875 . . . . 11.65 110.912 179.983 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 62' ' ' THR . . . . . 0.568 ' O ' ' OD1' ' A' ' 56' ' ' ASP . 0.7 OUTLIER -148.89 153.75 38.47 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.774 0.321 . . . . 11.55 110.584 179.996 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 63' ' ' ILE . . . . . . . . . . . . . 94.6 mt -120.84 125.69 74.35 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.224 -0.444 . . . . 10.06 110.607 -179.993 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 64' ' ' ASP . . . . . 0.637 ' OD2' ' N ' ' A' ' 64' ' ' ASP . 0.0 OUTLIER -94.3 -176.05 3.84 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.214 -0.448 . . . . 11.33 110.5 -179.999 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 65' ' ' PHE . . . . . 0.511 ' N ' ' HD2' ' A' ' 66' ' ' PRO . 1.4 t80 -70.25 -56.83 6.48 Favored Pre-proline 0 C--N 1.33 -0.269 0 CA-C-N 116.225 -0.443 . . . . 7.4 110.943 179.997 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 66' ' ' PRO . . . . . 0.511 ' HD2' ' N ' ' A' ' 65' ' ' PHE . 12.3 Cg_endo -57.5 -53.35 4.75 Favored 'Trans proline' 0 N--CA 1.493 1.497 0 C-N-CA 122.213 1.942 . . . . 6.66 111.971 179.65 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 67' ' ' GLU . . . . . 0.574 ' OE2' ' OD1' ' A' ' 64' ' ' ASP . 68.4 mt-10 -55.59 -17.74 6.19 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.218 -0.446 . . . . 7.44 110.404 179.858 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 68' ' ' PHE . . . . . . . . . . . . . 36.4 t80 -81.45 -25.29 36.23 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.123 -0.49 . . . . 8.58 110.529 179.96 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 69' ' ' LEU . . . . . 0.54 ' CD2' ' CG ' ' A' ' 12' ' ' PHE . 5.6 mt -83.26 -45.73 13.48 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.244 -0.435 . . . . 9.43 110.362 179.699 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 70' ' ' THR . . . . . 0.596 ' CG2' ' N ' ' A' ' 71' ' ' MET . 2.4 t -56.34 -47.51 78.64 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.12 -0.491 . . . . 7.53 110.543 179.976 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 71' ' ' MET . . . . . 0.626 ' C ' ' SD ' ' A' ' 71' ' ' MET . 0.8 OUTLIER -49.62 -46.75 49.7 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.173 -0.467 . . . . 11.86 110.491 179.864 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 72' ' ' MET . . . . . 0.572 ' N ' ' SD ' ' A' ' 71' ' ' MET . 0.0 OUTLIER -78.0 -49.84 13.29 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.213 -0.448 . . . . 22.32 110.518 -179.976 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -56.87 -54.64 44.15 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.263 -0.426 . . . . 9.15 110.529 179.97 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 74' ' ' ARG . . . . . 0.533 ' O ' ' N ' ' A' ' 77' ' ' LYS . 35.8 mmt-85 -45.49 -44.21 12.28 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.162 -0.472 . . . . 13.8 110.48 -179.985 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -45.17 -43.58 10.12 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.249 -0.432 . . . . 25.18 110.517 179.965 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 76' ' ' MET . . . . . . . . . . . . . 85.8 mtp -76.57 -11.75 59.91 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.16 -0.473 . . . . 34.79 110.544 -179.985 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 77' ' ' LYS . . . . . 0.533 ' N ' ' O ' ' A' ' 74' ' ' ARG . 23.3 tttm -102.22 39.93 1.42 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.211 -0.45 . . . . 37.65 110.631 -179.997 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 78' ' ' ASP . . . . . 0.408 ' C ' ' OD1' ' A' ' 78' ' ' ASP . 18.9 p30 -174.7 -168.07 0.34 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.182 -0.463 . . . . 42.58 110.541 179.955 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 7.5 t -73.25 164.53 26.54 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.213 -0.448 . . . . 38.4 110.52 -179.978 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 3.9 m-20 -130.58 152.09 50.33 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.19 -0.459 . . . . 37.51 110.579 -179.99 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 1.5 m -103.79 137.76 41.35 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.196 -0.456 . . . . 33.12 110.565 179.989 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 82' ' ' GLU . . . . . 0.461 ' O ' ' CG1' ' A' ' 85' ' ' ILE . 16.6 mt-10 -80.95 -15.25 56.76 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.226 -0.443 . . . . 34.28 110.536 -179.982 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -69.45 -35.65 75.86 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.26 -0.427 . . . . 30.91 110.56 -179.951 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 15.6 tm-20 -64.5 -60.42 3.16 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.241 -0.436 . . . . 22.86 110.538 -179.996 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 85' ' ' ILE . . . . . 0.461 ' CG1' ' O ' ' A' ' 82' ' ' GLU . 5.5 pt -43.74 -27.69 0.36 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.142 -0.481 . . . . 19.17 110.576 179.964 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 22.1 ttp85 -70.75 -56.23 6.84 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.162 -0.472 . . . . 26.85 110.585 179.971 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 15.7 mt-10 -59.12 -61.89 2.3 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.221 -0.445 . . . . 16.48 110.611 -179.974 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 88' ' ' ALA . . . . . 0.426 ' O ' ' CD2' ' A' ' 92' ' ' PHE . . . -43.6 -40.98 4.35 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.194 -0.457 . . . . 9.91 110.652 -179.969 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 89' ' ' PHE . . . . . 0.465 ' CE1' HD12 ' A' ' 100' ' ' ILE . 34.5 t80 -70.7 -62.9 1.22 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.188 -0.46 . . . . 8.53 110.546 179.977 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 32.4 ttp180 -51.11 -18.7 0.9 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.23 -0.441 . . . . 17.58 110.588 179.942 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 91' ' ' VAL . . . . . . . . . . . . . 37.6 t -74.19 -22.52 18.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.148 -0.478 . . . . 7.82 110.644 179.974 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 92' ' ' PHE . . . . . 0.426 ' CD2' ' O ' ' A' ' 88' ' ' ALA . 65.4 m-85 -95.33 -22.84 17.49 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.219 -0.446 . . . . 9.11 110.62 -179.936 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 93' ' ' ASP . . . . . 0.575 ' OD1' ' N ' ' A' ' 99' ' ' TYR . 1.5 m-20 -99.02 68.69 1.71 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.274 -0.421 . . . . 11.11 110.692 -179.812 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -48.68 -18.69 0.28 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.297 -0.41 . . . . 14.57 111.022 -179.719 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . 49.5 m-20 -76.42 -12.48 60.06 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.864 0.364 . . . . 10.2 110.614 -179.862 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 60.45 25.67 63.26 Favored Glycine 0 CA--C 1.525 0.703 0 N-CA-C 110.955 -0.858 . . . . 6.24 110.955 -179.89 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 97' ' ' ASN . . . . . 0.677 ' O ' ' CD2' ' A' ' 99' ' ' TYR . 45.4 p-10 -95.58 -3.87 45.62 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.879 0.371 . . . . 7.56 110.326 179.812 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . 67.51 29.29 73.91 Favored Glycine 0 CA--C 1.525 0.679 0 N-CA-C 110.972 -0.851 . . . . 7.08 110.972 179.931 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 99' ' ' TYR . . . . . 0.677 ' CD2' ' O ' ' A' ' 97' ' ' ASN . 67.1 m-85 -148.36 135.01 19.82 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.778 0.323 . . . . 9.0 110.559 179.882 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 100' ' ' ILE . . . . . 0.465 HD12 ' CE1' ' A' ' 89' ' ' PHE . 0.0 OUTLIER -122.23 117.35 51.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.268 -0.423 . . . . 9.29 110.494 179.987 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 101' ' ' SER . . . . . 0.491 ' O ' ' N ' ' A' ' 103' ' ' ALA . 1.4 t -89.41 151.7 21.89 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.278 -0.419 . . . . 7.02 110.585 179.889 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -43.66 -19.41 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.255 -0.43 . . . . 6.41 110.641 -179.949 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 103' ' ' ALA . . . . . 0.491 ' N ' ' O ' ' A' ' 101' ' ' SER . . . -81.75 -39.49 24.09 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.19 -0.459 . . . . 5.01 110.577 -179.944 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 104' ' ' GLU . . . . . 0.448 ' N ' ' O ' ' A' ' 101' ' ' SER . 26.7 mt-10 -75.14 -55.02 6.15 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.223 -0.444 . . . . 6.84 110.654 -179.975 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 105' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -47.76 -48.24 30.11 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.245 -0.434 . . . . 4.99 110.584 -179.922 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 106' ' ' ARG . . . . . 0.571 ' O ' ' OG1' ' A' ' 110' ' ' THR . 12.3 ttp180 -67.01 -19.96 65.79 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.184 -0.462 . . . . 15.24 110.592 179.996 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 107' ' ' HIS . . . . . . . . . . . . . 8.3 t-80 -74.61 -40.85 61.3 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.265 -0.425 . . . . 15.69 110.653 -179.947 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 108' ' ' VAL . . . . . 0.411 ' C ' ' N ' ' A' ' 110' ' ' THR . 25.7 t -78.91 -62.61 1.33 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.25 -0.432 . . . . 12.28 110.586 -179.945 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 109' ' ' MET . . . . . . . . . . . . . 1.8 tpt -49.73 -16.14 0.22 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.216 -0.447 . . . . 9.53 110.645 -179.885 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 110' ' ' THR . . . . . 0.571 ' OG1' ' O ' ' A' ' 106' ' ' ARG . 1.4 m -79.55 -44.94 20.17 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.285 -0.416 . . . . 11.87 110.711 -179.874 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 111' ' ' ASN . . . . . 0.654 ' ND2' ' O ' ' A' ' 111' ' ' ASN . 0.4 OUTLIER -62.67 -13.88 37.26 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.333 -0.394 . . . . 21.65 110.759 -179.784 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 112' ' ' LEU . . . . . 0.43 ' N ' HD21 ' A' ' 112' ' ' LEU . 3.8 mm? -50.03 -32.55 15.66 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.319 -0.401 . . . . 19.55 110.595 -179.973 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . 115.01 7.0 18.03 Favored Glycine 0 CA--C 1.525 0.697 0 N-CA-C 110.918 -0.873 . . . . 19.66 110.918 -179.982 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 7.9 tt0 -124.61 132.78 53.41 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.662 0.268 . . . . 25.55 110.366 179.794 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 13.9 tttp -82.23 114.1 20.5 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.405 -0.362 . . . . 23.26 110.548 179.974 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 116' ' ' LEU . . . . . . . . . . . . . 1.5 mt -107.02 156.17 19.03 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.251 -0.431 . . . . 23.07 110.6 179.993 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 117' ' ' THR . . . . . . . . . . . . . 11.6 p -78.78 148.71 32.84 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.179 -0.464 . . . . 19.41 110.586 179.975 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 118' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -77.39 -37.36 52.16 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.225 -0.443 . . . . 18.08 110.589 -179.953 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 119' ' ' GLU . . . . . . . . . . . . . 18.2 pt-20 -61.04 -28.73 69.27 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.196 -0.456 . . . . 20.16 110.572 -179.958 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 120' ' ' GLU . . . . . 0.427 ' HG2' ' SD ' ' A' ' 124' ' ' MET . 33.6 tt0 -83.38 -40.17 19.73 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.171 -0.468 . . . . 14.19 110.578 -179.953 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 121' ' ' VAL . . . . . . . . . . . . . 69.2 t -68.99 -29.0 41.76 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.174 -0.466 . . . . 14.97 110.588 -179.964 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 122' ' ' ASP . . . . . . . . . . . . . 1.5 m-20 -83.06 -54.57 4.95 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.251 -0.431 . . . . 20.12 110.629 179.981 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 123' ' ' GLU . . . . . . . . . . . . . 16.2 tt0 -54.87 -45.12 74.57 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.201 -0.454 . . . . 15.72 110.635 179.985 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 124' ' ' MET . . . . . 0.427 ' SD ' ' HG2' ' A' ' 120' ' ' GLU . 12.1 mtp -57.19 -62.05 2.03 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.163 -0.471 . . . . 9.75 110.603 -179.941 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 125' ' ' ILE . . . . . 0.571 ' O ' ' OD2' ' A' ' 129' ' ' ASP . 65.2 mt -54.61 -41.77 57.02 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.19 -0.459 . . . . 11.99 110.582 179.996 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 126' ' ' ARG . . . . . 0.454 ' HB2' ' NH2' ' A' ' 126' ' ' ARG . 0.0 OUTLIER -66.17 -19.31 65.79 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.192 -0.458 . . . . 27.23 110.579 179.958 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 127' ' ' GLU . . . . . . . . . . . . . 9.2 tp10 -77.81 -55.77 5.05 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.242 -0.436 . . . . 15.5 110.642 -179.91 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 128' ' ' ALA . . . . . . . . . . . . . . . -73.51 -13.85 61.12 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.232 -0.44 . . . . 10.5 110.653 -179.879 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 129' ' ' ASP . . . . . 0.571 ' OD2' ' O ' ' A' ' 125' ' ' ILE . 11.7 m-20 -70.57 92.8 0.86 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.248 -0.433 . . . . 10.86 110.587 -179.968 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 130' ' ' ILE . . . . . 0.525 ' N ' ' OE1' ' A' ' 140' ' ' GLU . 51.6 mt -48.7 -40.01 11.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.14 -0.482 . . . . 12.26 110.573 -179.959 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 131' ' ' ASP . . . . . . . . . . . . . 2.0 m-20 -85.53 -17.75 35.46 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.193 -0.458 . . . . 7.79 110.508 179.963 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 132' ' ' GLY . . . . . . . . . . . . . . . 55.2 43.27 83.89 Favored Glycine 0 CA--C 1.525 0.669 0 N-CA-C 110.916 -0.874 . . . . 3.93 110.916 179.956 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 133' ' ' ASP . . . . . 0.477 ' OD1' ' N ' ' A' ' 133' ' ' ASP . 0.6 OUTLIER -96.35 0.69 51.03 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.844 0.354 . . . . 9.56 110.598 179.987 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 134' ' ' GLY . . . . . . . . . . . . . . . 90.21 4.07 71.86 Favored Glycine 0 CA--C 1.525 0.683 0 N-CA-C 110.929 -0.868 . . . . 7.32 110.929 179.996 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 135' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -135.86 155.17 50.73 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.796 0.332 . . . . 22.05 110.552 -179.953 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 136' ' ' VAL . . . . . . . . . . . . . 47.1 t -110.16 141.96 23.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.162 -0.472 . . . . 10.34 110.57 -179.991 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 137' ' ' ASN . . . . . 0.469 ' N ' ' ND2' ' A' ' 137' ' ' ASN . 0.6 OUTLIER -109.35 159.67 16.8 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.164 -0.471 . . . . 12.02 110.361 179.719 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 138' ' ' TYR . . . . . . . . . . . . . 15.9 t80 -55.22 -25.37 32.68 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.356 -0.384 . . . . 8.75 110.56 179.98 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 139' ' ' GLU . . . . . . . . . . . . . 25.6 tt0 -70.66 -37.97 73.75 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.155 -0.475 . . . . 22.33 110.617 179.931 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 140' ' ' GLU . . . . . 0.525 ' OE1' ' N ' ' A' ' 130' ' ' ILE . 7.2 mt-10 -63.62 -41.66 98.26 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.197 -0.456 . . . . 13.45 110.527 179.962 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 141' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER -50.12 -46.73 54.04 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.157 -0.474 . . . . 8.25 110.502 -179.986 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 142' ' ' VAL . . . . . 0.411 ' O ' ' N ' ' A' ' 145' ' ' MET . 75.2 t -67.5 -44.04 86.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.161 -0.472 . . . . 10.15 110.573 179.949 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 143' ' ' GLN . . . . . 0.522 ' O ' ' OG1' ' A' ' 146' ' ' THR . 8.5 mm100 -43.43 -56.77 3.41 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.172 -0.467 . . . . 8.24 110.568 179.962 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 144' ' ' MET . . . . . 0.404 ' C ' ' H ' ' A' ' 146' ' ' THR . 0.4 OUTLIER -54.24 -29.93 48.42 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.193 -0.458 . . . . 6.68 110.505 179.975 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 145' ' ' MET . . . . . 0.411 ' N ' ' O ' ' A' ' 142' ' ' VAL . 0.0 OUTLIER -64.9 -2.86 2.87 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.154 -0.476 . . . . 13.37 110.543 -179.991 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 146' ' ' THR . . . . . 0.522 ' OG1' ' O ' ' A' ' 143' ' ' GLN . 62.8 p -109.37 -14.36 14.45 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.157 -0.474 . . . . 10.78 110.515 -179.986 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 147' ' ' ALA . . . . . . . . . . . . . . . -69.12 127.73 34.14 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.211 -0.45 . . . . 18.52 110.579 -179.967 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 148' ' ' LYS . . . . . . . . . . . . . 39.1 tttt . . . . . 0 C--O 1.22 -0.465 0 CA-C-O 117.962 -1.018 . . . . 23.42 110.545 -179.982 . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 401' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 402' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 403' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 404' ' ' ' TB' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 36.1 tt0 . . . . . 0 C--O 1.231 0.107 0 CA-C-O 120.81 0.338 . . . . 23.46 110.566 . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 4' ' ' LEU . . . . . 0.412 ' HB3' ' CG1' ' A' ' 9' ' ' ILE . 2.9 tp -77.73 126.97 31.69 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.191 -0.458 . . . . 14.38 110.566 179.982 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 57.2 p -69.88 151.11 46.06 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.205 -0.452 . . . . 7.34 110.543 -179.976 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 3.9 mm-40 -54.5 -51.18 65.9 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.19 -0.459 . . . . 7.12 110.527 -179.973 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 51.5 mt-10 -47.65 -41.97 23.47 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.186 -0.461 . . . . 6.85 110.569 179.99 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 2.1 tt0 -76.75 -43.18 38.13 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.23 -0.441 . . . . 15.1 110.594 179.938 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 9' ' ' ILE . . . . . 0.412 ' CG1' ' HB3' ' A' ' 4' ' ' LEU . 88.3 mt -60.48 -28.92 43.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.19 -0.459 . . . . 4.72 110.533 -179.992 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -73.75 -59.49 2.69 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.21 -0.45 . . . . 6.68 110.564 -179.989 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 60.3 mt-10 -49.18 -31.96 9.4 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.197 -0.456 . . . . 18.49 110.589 179.996 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 2.1 m-85 -62.58 -50.05 72.84 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.2 -0.455 . . . . 14.89 110.548 179.983 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 6.5 tttt -47.59 -31.87 4.9 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.169 -0.469 . . . . 18.39 110.526 -179.98 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 15.5 tt0 -61.15 -56.1 24.68 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.221 -0.445 . . . . 22.76 110.528 179.998 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -45.57 -35.46 3.97 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.202 -0.454 . . . . 5.67 110.503 -179.984 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 16' ' ' PHE . . . . . 0.453 ' CE2' ' CB ' ' A' ' 20' ' ' ASP . 10.8 t80 -59.7 -60.12 4.35 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.167 -0.469 . . . . 13.28 110.497 179.999 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -48.93 -21.53 0.68 Allowed 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.178 -0.465 . . . . 12.16 110.534 179.978 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -78.55 -37.32 43.05 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.148 -0.478 . . . . 17.89 110.497 179.985 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 9.2 m-85 -90.01 -50.2 6.15 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.257 -0.429 . . . . 9.14 110.556 179.986 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 20' ' ' ASP . . . . . 0.46 ' OD2' ' O ' ' A' ' 26' ' ' THR . 15.7 t70 -85.38 83.24 8.02 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.22 -0.445 . . . . 7.47 110.507 179.971 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 17.1 pttt -75.14 -19.67 59.77 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.188 -0.46 . . . . 27.75 110.69 -179.983 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 22' ' ' ASP . . . . . 0.513 ' OD2' ' OE1' ' A' ' 31' ' ' GLU . 29.2 m-20 -73.04 -15.34 61.52 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.213 -0.449 . . . . 14.13 110.616 -179.943 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 59.58 27.98 64.49 Favored Glycine 0 CA--C 1.525 0.663 0 N-CA-C 110.981 -0.847 . . . . 11.51 110.981 -179.907 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 4.0 m-20 -80.87 -29.52 35.72 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.775 0.322 . . . . 14.28 110.613 -179.962 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 105.17 7.91 37.02 Favored Glycine 0 CA--C 1.525 0.703 0 N-CA-C 110.874 -0.891 . . . . 9.47 110.874 -179.995 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 26' ' ' THR . . . . . 0.46 ' O ' ' OD2' ' A' ' 20' ' ' ASP . 72.9 p -148.04 142.08 25.96 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.814 0.34 . . . . 16.41 110.554 179.958 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 43.6 mt -102.97 123.43 56.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.206 -0.452 . . . . 8.03 110.612 179.952 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 28' ' ' THR . . . . . 0.717 ' HG1' ' H ' ' A' ' 30' ' ' LYS . 0.6 OUTLIER -105.86 169.11 8.67 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.213 -0.448 . . . . 7.8 110.586 -179.982 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 29' ' ' THR . . . . . 0.461 ' N ' ' HG1' ' A' ' 28' ' ' THR . 6.5 m -70.65 -16.15 62.79 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.164 -0.471 . . . . 10.04 110.571 179.975 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 30' ' ' LYS . . . . . 0.717 ' H ' ' HG1' ' A' ' 28' ' ' THR . 26.3 mmtt -80.62 -34.28 35.15 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.182 -0.463 . . . . 16.38 110.575 -179.993 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 31' ' ' GLU . . . . . 0.513 ' OE1' ' OD2' ' A' ' 22' ' ' ASP . 3.7 tt0 -85.18 -28.25 25.59 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.205 -0.452 . . . . 5.59 110.54 179.992 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 7.6 tp -64.11 -59.81 4.0 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.111 -0.495 . . . . 7.72 110.547 179.98 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -50.19 -46.58 43.06 Favored Glycine 0 CA--C 1.525 0.663 0 N-CA-C 110.867 -0.893 . . . . 6.93 110.867 179.985 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 2.7 m -52.04 -40.87 61.76 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.808 0.337 . . . . 9.63 110.544 179.928 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 48.0 t -63.7 -48.62 85.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.217 -0.447 . . . . 7.07 110.511 179.99 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 36' ' ' MET . . . . . . . . . . . . . 4.1 mtt -64.38 -27.77 69.23 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.186 -0.461 . . . . 10.12 110.501 179.985 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 1.3 mtp180 -62.9 -27.48 69.4 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.214 -0.448 . . . . 9.87 110.52 179.925 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 1.7 t -80.31 -18.71 48.41 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.169 -0.469 . . . . 8.15 110.418 179.981 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 8.8 mp -93.12 15.13 15.94 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.166 -0.47 . . . . 12.78 110.504 179.924 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 66.71 28.48 73.78 Favored Glycine 0 CA--C 1.525 0.66 0 N-CA-C 110.923 -0.871 . . . . 9.6 110.923 179.981 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 37.1 mt-30 -104.38 150.53 24.42 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.811 0.339 . . . . 20.35 110.54 -179.952 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 18.4 m120 -140.06 80.07 21.09 Favored Pre-proline 0 C--N 1.329 -0.289 0 CA-C-N 116.184 -0.462 . . . . 10.22 110.516 179.942 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 60.2 Cg_endo -78.05 159.9 30.29 Favored 'Trans proline' 0 C--N 1.307 -1.655 0 C-N-CA 122.792 2.328 . . . . 8.63 112.23 -179.985 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 44' ' ' THR . . . . . 0.429 HG21 ' H ' ' A' ' 46' ' ' ALA . 63.4 m -94.22 147.34 23.28 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.174 -0.467 . . . . 4.83 110.519 179.962 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 9.5 mp0 -46.17 -20.91 0.12 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.246 -0.434 . . . . 16.78 110.535 -179.99 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 46' ' ' ALA . . . . . 0.429 ' H ' HG21 ' A' ' 44' ' ' THR . . . -83.64 -40.58 18.81 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.167 -0.469 . . . . 4.8 110.589 179.98 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 27.0 mm-40 -69.24 -60.78 2.12 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.228 -0.442 . . . . 6.18 110.608 179.999 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 5.8 tp -50.07 -35.62 26.04 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.153 -0.476 . . . . 6.65 110.615 -179.981 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 24.2 tt0 -66.14 -48.04 72.12 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.232 -0.44 . . . . 7.05 110.553 -179.98 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 50' ' ' ASP . . . . . 0.404 ' CG ' ' O ' ' A' ' 46' ' ' ALA . 16.2 m-20 -58.67 -25.95 63.32 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.188 -0.46 . . . . 6.72 110.614 -179.987 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 51' ' ' MET . . . . . . . . . . . . . 4.5 tpt -76.38 -58.91 3.01 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.193 -0.458 . . . . 13.6 110.57 179.999 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 3.9 mm -49.02 -43.32 15.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.171 -0.468 . . . . 8.71 110.542 179.983 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 18.6 m120 -49.89 -51.03 43.7 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.231 -0.441 . . . . 9.04 110.52 -179.977 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 3.7 mm-40 -51.21 -27.71 9.62 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.2 -0.455 . . . . 23.58 110.623 -179.922 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 55' ' ' VAL . . . . . 0.482 ' CG2' ' SD ' ' A' ' 71' ' ' MET . 11.9 t -95.01 -20.52 6.01 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.226 -0.443 . . . . 7.6 110.62 179.951 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 56' ' ' ASP . . . . . 0.567 ' OD1' ' O ' ' A' ' 62' ' ' THR . 0.6 OUTLIER -107.63 87.97 2.63 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.197 -0.456 . . . . 12.55 110.521 -179.972 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -79.07 -28.52 43.14 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.186 -0.461 . . . . 15.13 110.568 179.97 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 5.3 m-20 -85.86 2.3 46.43 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.181 -0.463 . . . . 14.32 110.555 179.992 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 52.46 17.25 4.18 Favored Glycine 0 CA--C 1.525 0.695 0 N-CA-C 110.917 -0.873 . . . . 13.64 110.917 -179.989 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 60' ' ' ASP . . . . . 0.406 ' OD1' ' N ' ' A' ' 60' ' ' ASP . 3.8 p-10 -62.31 -22.39 66.01 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.859 0.362 . . . . 13.27 110.59 -179.992 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 92.78 -1.41 71.35 Favored Glycine 0 CA--C 1.525 0.695 0 N-CA-C 110.963 -0.855 . . . . 11.65 110.963 -179.983 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 62' ' ' THR . . . . . 0.567 ' O ' ' OD1' ' A' ' 56' ' ' ASP . 0.3 OUTLIER -129.26 154.58 46.68 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.837 0.351 . . . . 11.55 110.539 -179.971 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 63' ' ' ILE . . . . . 0.404 HG21 HD12 ' A' ' 63' ' ' ILE . 81.7 mt -106.79 141.33 22.27 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.169 -0.469 . . . . 10.06 110.567 179.982 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 64' ' ' ASP . . . . . 0.558 ' OD2' ' N ' ' A' ' 64' ' ' ASP . 0.2 OUTLIER -99.84 172.37 7.28 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.217 -0.447 . . . . 11.33 110.565 179.983 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 65' ' ' PHE . . . . . 0.555 ' CD1' ' C ' ' A' ' 65' ' ' PHE . 0.3 OUTLIER -70.97 -56.71 5.49 Favored Pre-proline 0 C--N 1.328 -0.332 0 CA-C-N 116.264 -0.426 . . . . 7.4 110.84 179.965 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 66' ' ' PRO . . . . . 0.497 ' HD2' ' N ' ' A' ' 65' ' ' PHE . 18.9 Cg_endo -62.28 -40.81 38.13 Favored 'Trans proline' 0 N--CA 1.494 1.52 0 C-N-CA 122.21 1.94 . . . . 6.66 111.933 179.724 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 67' ' ' GLU . . . . . 0.468 ' OE1' ' OD1' ' A' ' 64' ' ' ASP . 38.5 mt-10 -64.17 -14.76 57.34 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.152 -0.476 . . . . 7.44 110.349 179.848 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 68' ' ' PHE . . . . . . . . . . . . . 45.7 t80 -79.58 -25.35 41.57 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.104 -0.498 . . . . 8.58 110.457 179.941 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 69' ' ' LEU . . . . . 0.457 HD12 ' CE1' ' A' ' 65' ' ' PHE . 6.6 mp -83.21 -41.29 18.59 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.177 -0.465 . . . . 9.43 110.437 179.704 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 70' ' ' THR . . . . . 0.561 ' CG2' ' N ' ' A' ' 71' ' ' MET . 1.2 t -61.13 -44.38 97.42 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.147 -0.479 . . . . 7.53 110.528 -179.924 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 71' ' ' MET . . . . . 0.561 ' N ' ' CG2' ' A' ' 70' ' ' THR . 0.0 OUTLIER -53.05 -44.92 67.8 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.248 -0.433 . . . . 11.86 110.506 179.919 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 72' ' ' MET . . . . . 0.617 ' SD ' ' C ' ' A' ' 72' ' ' MET . 0.0 OUTLIER -80.67 -47.36 14.15 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.18 -0.464 . . . . 22.32 110.585 179.96 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -57.69 -53.85 53.48 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.187 -0.461 . . . . 9.15 110.595 179.951 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 41.0 ttt180 -45.37 -51.58 11.05 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.2 -0.454 . . . . 13.8 110.536 -179.952 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 75' ' ' LYS . . . . . 0.494 ' O ' ' OD1' ' A' ' 78' ' ' ASP . 19.8 mmtt -43.91 -36.84 2.58 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.202 -0.454 . . . . 25.18 110.549 179.975 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 76' ' ' MET . . . . . 0.525 ' C ' ' H ' ' A' ' 78' ' ' ASP . 11.7 mtt -83.89 -35.48 24.08 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.211 -0.449 . . . . 34.79 110.585 -179.986 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 13.4 tptt -70.94 39.73 0.06 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.177 -0.465 . . . . 37.65 110.54 -179.975 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 78' ' ' ASP . . . . . 0.525 ' H ' ' C ' ' A' ' 76' ' ' MET . 19.0 p30 -176.15 -160.32 0.07 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.238 -0.437 . . . . 42.58 110.608 179.983 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 79' ' ' THR . . . . . 0.461 ' H ' ' HG1' ' A' ' 79' ' ' THR . 6.5 p -78.04 155.68 30.52 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.2 -0.454 . . . . 38.4 110.525 -179.992 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 3.3 p-10 -112.71 150.17 31.9 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.194 -0.457 . . . . 37.51 110.573 -179.996 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 50.9 m -109.25 138.03 46.23 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.254 -0.43 . . . . 33.12 110.548 -179.978 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 51.4 mt-10 -84.82 -10.42 57.19 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.201 -0.454 . . . . 34.28 110.568 -179.976 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 83' ' ' GLU . . . . . 0.451 ' HG3' ' H ' ' A' ' 84' ' ' GLU . 0.3 OUTLIER -63.95 -39.92 95.25 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.177 -0.465 . . . . 30.91 110.654 -179.96 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 84' ' ' GLU . . . . . 0.451 ' H ' ' HG3' ' A' ' 83' ' ' GLU . 0.0 OUTLIER -83.0 -52.45 6.66 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.23 -0.441 . . . . 22.86 110.588 179.962 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 85' ' ' ILE . . . . . . . . . . . . . 13.4 mt -48.07 -20.35 0.42 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.14 -0.482 . . . . 19.17 110.534 -179.96 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 32.2 ttp180 -81.2 -55.25 4.87 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.205 -0.452 . . . . 26.85 110.542 -179.99 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 20.0 mt-10 -61.72 -47.43 85.27 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.223 -0.444 . . . . 16.48 110.571 -179.973 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -59.56 -33.37 71.33 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.191 -0.458 . . . . 9.91 110.597 -179.97 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 89' ' ' PHE . . . . . 0.417 ' O ' ' CD2' ' A' ' 89' ' ' PHE . 35.4 t80 -68.76 -26.3 65.16 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.208 -0.451 . . . . 8.53 110.623 -179.97 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 90' ' ' ARG . . . . . 0.434 ' HD3' ' N ' ' A' ' 90' ' ' ARG . 0.0 OUTLIER -76.9 -45.36 28.33 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.219 -0.446 . . . . 17.58 110.567 -179.988 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 91' ' ' VAL . . . . . . . . . . . . . 84.5 t -50.08 -18.29 0.54 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.244 -0.435 . . . . 7.82 110.562 -179.839 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 92' ' ' PHE . . . . . . . . . . . . . 51.6 m-85 -95.34 -42.65 8.41 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.231 -0.44 . . . . 9.11 110.538 179.846 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 93' ' ' ASP . . . . . 0.532 ' CG ' ' O ' ' A' ' 99' ' ' TYR . 21.0 t0 -95.46 69.08 3.02 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.094 -0.503 . . . . 11.11 110.524 179.998 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 7.3 pttt -48.19 -21.43 0.49 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.217 -0.447 . . . . 14.57 111.12 -179.644 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 95' ' ' ASP . . . . . 0.455 ' CG ' ' OD1' ' A' ' 97' ' ' ASN . 22.2 t0 -75.55 -13.33 60.35 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-O 120.817 0.341 . . . . 10.2 110.752 -179.761 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 60.26 22.19 58.02 Favored Glycine 0 CA--C 1.525 0.719 0 N-CA-C 110.998 -0.841 . . . . 6.24 110.998 -179.988 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 97' ' ' ASN . . . . . 0.455 ' OD1' ' CG ' ' A' ' 95' ' ' ASP . 11.6 m120 -82.69 2.65 32.58 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.879 0.371 . . . . 7.56 110.509 179.944 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . 70.83 4.17 53.25 Favored Glycine 0 CA--C 1.524 0.648 0 N-CA-C 110.984 -0.846 . . . . 7.08 110.984 179.947 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 99' ' ' TYR . . . . . 0.633 ' CD1' ' C ' ' A' ' 99' ' ' TYR . 1.5 p90 -139.14 145.89 39.97 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.801 0.334 . . . . 9.0 110.597 -179.958 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 12.9 mt -122.05 124.52 71.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.155 -0.475 . . . . 9.29 110.519 179.905 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 101' ' ' SER . . . . . 0.518 ' O ' ' N ' ' A' ' 103' ' ' ALA . 8.8 t -91.21 151.68 20.84 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.241 -0.436 . . . . 7.02 110.626 -179.927 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -42.6 -19.34 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.135 -0.484 . . . . 6.41 110.604 -179.879 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 103' ' ' ALA . . . . . 0.518 ' N ' ' O ' ' A' ' 101' ' ' SER . . . -77.77 -57.52 3.76 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.237 -0.438 . . . . 5.01 110.564 179.969 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 26.2 mt-10 -56.16 -46.09 79.42 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.178 -0.465 . . . . 6.84 110.643 -179.961 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 105' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -58.21 -47.88 82.09 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.247 -0.433 . . . . 4.99 110.569 179.983 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 106' ' ' ARG . . . . . 0.573 ' O ' ' OG1' ' A' ' 110' ' ' THR . 20.5 ttp180 -69.34 -22.67 63.74 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.184 -0.462 . . . . 15.24 110.498 -179.956 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 107' ' ' HIS . . . . . . . . . . . . . 0.6 OUTLIER -78.43 -43.99 25.9 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.232 -0.44 . . . . 15.69 110.547 179.959 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 108' ' ' VAL . . . . . . . . . . . . . 64.2 t -80.42 -44.7 22.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.219 -0.446 . . . . 12.28 110.546 -179.966 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 109' ' ' MET . . . . . . . . . . . . . 2.7 tpt -66.13 -13.76 60.67 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.22 -0.445 . . . . 9.53 110.612 -179.927 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 110' ' ' THR . . . . . 0.573 ' OG1' ' O ' ' A' ' 106' ' ' ARG . 1.5 m -81.54 -39.36 24.76 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.262 -0.426 . . . . 11.87 110.564 179.98 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 111' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -72.36 -13.04 61.38 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.26 -0.427 . . . . 21.65 110.522 179.998 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 1.6 mm? -50.18 -27.3 5.66 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.221 -0.445 . . . . 19.55 110.588 -179.987 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . 115.29 -0.61 22.33 Favored Glycine 0 CA--C 1.524 0.646 0 N-CA-C 110.856 -0.898 . . . . 19.66 110.856 -179.867 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 114' ' ' GLU . . . . . 0.449 ' O ' ' CD2' ' A' ' 116' ' ' LEU . 24.5 mm-40 -124.41 128.83 49.64 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.725 0.298 . . . . 25.55 110.392 179.707 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 48.6 tttp -82.57 116.21 21.88 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.408 -0.36 . . . . 23.26 110.662 -179.923 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 116' ' ' LEU . . . . . 0.505 ' CD2' ' N ' ' A' ' 116' ' ' LEU . 0.1 OUTLIER -102.9 159.07 15.83 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.189 -0.459 . . . . 23.07 110.531 179.993 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 117' ' ' THR . . . . . . . . . . . . . 0.4 OUTLIER -85.41 149.41 25.44 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.182 -0.463 . . . . 19.41 110.561 179.985 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 118' ' ' ASP . . . . . 0.567 ' CG ' HH21 ' A' ' 106' ' ' ARG . 72.9 m-20 -75.98 -26.1 56.45 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.239 -0.437 . . . . 18.08 110.537 -179.982 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 119' ' ' GLU . . . . . . . . . . . . . 6.3 mm-40 -70.89 -26.32 63.18 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.191 -0.459 . . . . 20.16 110.513 -179.97 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 120' ' ' GLU . . . . . . . . . . . . . 33.6 tt0 -85.17 -45.98 11.51 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.213 -0.448 . . . . 14.19 110.53 -179.972 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 121' ' ' VAL . . . . . . . . . . . . . 93.4 t -54.48 -42.88 61.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.244 -0.435 . . . . 14.97 110.579 -179.998 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 122' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -76.37 -44.55 35.82 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.185 -0.461 . . . . 20.12 110.532 -179.998 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 123' ' ' GLU . . . . . 0.507 ' OE2' ' O ' ' A' ' 123' ' ' GLU . 7.1 tp10 -57.33 -47.33 81.83 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.26 -0.427 . . . . 15.72 110.535 -179.983 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 124' ' ' MET . . . . . . . . . . . . . 4.6 ttt -61.92 -54.5 41.06 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.174 -0.466 . . . . 9.75 110.589 179.982 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 125' ' ' ILE . . . . . 0.439 ' C ' ' N ' ' A' ' 127' ' ' GLU . 24.4 mt -62.53 -58.04 9.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.159 -0.473 . . . . 11.99 110.587 179.982 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 126' ' ' ARG . . . . . . . . . . . . . 52.2 ttt-85 -43.54 -22.52 0.05 OUTLIER 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.235 -0.439 . . . . 27.23 110.578 179.987 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 127' ' ' GLU . . . . . 0.439 ' N ' ' C ' ' A' ' 125' ' ' ILE . 16.7 tt0 -89.81 -54.2 4.16 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.215 -0.448 . . . . 15.5 110.571 -179.98 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 128' ' ' ALA . . . . . . . . . . . . . . . -65.42 -25.9 67.73 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.165 -0.47 . . . . 10.5 110.571 -179.983 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 129' ' ' ASP . . . . . 0.636 ' OD1' ' N ' ' A' ' 133' ' ' ASP . 45.4 t0 -72.89 92.71 1.64 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.204 -0.453 . . . . 10.86 110.528 179.97 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 130' ' ' ILE . . . . . . . . . . . . . 18.8 mt -48.54 -35.13 5.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.11 -0.495 . . . . 12.26 110.713 -179.788 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 131' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -88.2 -17.93 29.79 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.316 -0.402 . . . . 7.79 110.652 -179.957 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 132' ' ' GLY . . . . . 0.626 ' N ' ' OD2' ' A' ' 129' ' ' ASP . . . 60.7 39.43 96.64 Favored Glycine 0 CA--C 1.525 0.674 0 N-CA-C 110.826 -0.91 . . . . 3.93 110.826 -179.935 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 133' ' ' ASP . . . . . 0.636 ' N ' ' OD1' ' A' ' 129' ' ' ASP . 0.5 OUTLIER -87.99 -1.82 58.23 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.759 0.314 . . . . 9.56 110.649 -179.888 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 134' ' ' GLY . . . . . . . . . . . . . . . 82.78 5.43 89.41 Favored Glycine 0 CA--C 1.525 0.667 0 N-CA-C 110.902 -0.879 . . . . 7.32 110.902 -179.959 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 135' ' ' GLN . . . . . . . . . . . . . 9.4 mt-30 -136.32 160.62 38.17 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.745 0.307 . . . . 22.05 110.415 179.937 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 136' ' ' VAL . . . . . 0.548 ' C ' HD21 ' A' ' 137' ' ' ASN . 66.2 t -112.75 135.46 52.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.336 -0.393 . . . . 10.34 110.694 -179.91 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 137' ' ' ASN . . . . . 0.631 HD21 ' N ' ' A' ' 137' ' ' ASN . 0.7 OUTLIER -109.92 159.47 17.22 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.147 -0.479 . . . . 12.02 110.292 179.541 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 138' ' ' TYR . . . . . . . . . . . . . 75.1 t80 -49.6 -28.78 6.13 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.811 0.339 . . . . 8.75 110.496 179.972 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 139' ' ' GLU . . . . . . . . . . . . . 5.0 mt-10 -70.01 -39.99 75.51 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.168 -0.469 . . . . 22.33 110.541 -179.989 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 140' ' ' GLU . . . . . 0.505 ' OE1' ' N ' ' A' ' 137' ' ' ASN . 1.7 mt-10 -61.1 -43.14 99.34 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.247 -0.433 . . . . 13.45 110.498 179.929 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 141' ' ' PHE . . . . . . . . . . . . . 1.2 m-85 -50.74 -60.32 3.17 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.2 -0.455 . . . . 8.25 110.438 179.968 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 142' ' ' VAL . . . . . 0.57 ' O ' ' OG1' ' A' ' 146' ' ' THR . 66.0 t -50.76 -36.41 14.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.152 -0.476 . . . . 10.15 110.549 179.985 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 143' ' ' GLN . . . . . . . . . . . . . 14.4 tp60 -47.17 -54.75 9.89 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.176 -0.465 . . . . 8.24 110.435 179.964 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 144' ' ' MET . . . . . . . . . . . . . 2.1 ttt -49.13 -37.89 23.38 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.228 -0.442 . . . . 6.68 110.439 179.993 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 145' ' ' MET . . . . . . . . . . . . . 29.9 mtt -90.34 -18.73 25.01 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.198 -0.455 . . . . 13.37 110.534 179.887 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 146' ' ' THR . . . . . 0.57 ' OG1' ' O ' ' A' ' 142' ' ' VAL . 2.3 m -78.12 10.55 2.86 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.164 -0.471 . . . . 10.78 110.596 179.921 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 147' ' ' ALA . . . . . . . . . . . . . . . -91.45 146.42 23.81 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.204 -0.453 . . . . 18.52 110.53 179.982 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 148' ' ' LYS . . . . . . . . . . . . . 30.4 tttt . . . . . 0 C--O 1.22 -0.475 0 CA-C-O 117.957 -1.02 . . . . 23.42 110.595 179.956 . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 401' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 402' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 403' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 404' ' ' ' TB' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 3' ' ' GLN . . . . . 0.604 ' OE1' ' N ' ' A' ' 3' ' ' GLN . 0.0 OUTLIER . . . . . 0 C--O 1.231 0.121 0 CA-C-O 120.754 0.311 . . . . 23.46 110.545 . . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -80.58 127.17 32.15 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.216 -0.447 . . . . 14.38 110.537 -179.994 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 71.6 p -68.59 149.77 48.78 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.209 -0.45 . . . . 7.34 110.518 179.999 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 24.6 mm-40 -53.9 -45.45 71.11 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.211 -0.45 . . . . 7.12 110.605 -179.996 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 7' ' ' GLU . . . . . 0.572 ' O ' ' OE1' ' A' ' 7' ' ' GLU . 0.9 OUTLIER -48.22 -38.79 19.31 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.171 -0.468 . . . . 6.85 110.641 -179.995 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 69.4 mt-30 -78.34 -40.96 34.99 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.218 -0.446 . . . . 15.1 110.601 179.992 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 9' ' ' ILE . . . . . 0.505 HG23 HD13 ' A' ' 9' ' ' ILE . 60.2 mt -62.18 -31.51 51.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.181 -0.463 . . . . 4.72 110.583 -179.921 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -68.32 -59.35 3.26 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.212 -0.449 . . . . 6.68 110.557 -179.938 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 45.4 mm-40 -46.14 -38.98 8.87 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.265 -0.425 . . . . 18.49 110.584 -179.925 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 12' ' ' PHE . . . . . 0.446 ' CD2' HD21 ' A' ' 69' ' ' LEU . 1.9 m-85 -57.57 -45.21 85.47 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.224 -0.444 . . . . 14.89 110.608 179.997 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -47.01 -41.62 16.8 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.212 -0.449 . . . . 18.39 110.527 -179.927 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 3.7 tm-20 -60.75 -35.76 77.19 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.242 -0.435 . . . . 22.76 110.615 180.0 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -60.66 -51.95 67.21 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.164 -0.471 . . . . 5.67 110.608 179.954 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 16' ' ' PHE . . . . . 0.414 ' CE2' HD12 ' A' ' 27' ' ' ILE . 0.1 OUTLIER -48.87 -60.27 2.89 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.206 -0.452 . . . . 13.28 110.469 -179.971 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 10.9 t -48.24 -23.53 0.91 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.246 -0.433 . . . . 12.16 110.461 179.943 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -81.35 -33.35 32.49 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.151 -0.477 . . . . 17.89 110.488 180.0 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 19' ' ' PHE . . . . . 0.403 ' N ' ' O ' ' A' ' 16' ' ' PHE . 25.6 m-85 -90.05 -50.44 6.01 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.257 -0.429 . . . . 9.14 110.599 179.981 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 33.8 t70 -95.88 91.52 6.07 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.232 -0.44 . . . . 7.47 110.602 -179.947 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 24.3 mttp -83.5 -19.54 35.58 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.144 -0.48 . . . . 27.75 110.633 -179.933 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 92.5 m-20 -72.62 -15.39 61.73 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.304 -0.407 . . . . 14.13 110.702 -179.812 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 62.26 31.93 80.9 Favored Glycine 0 CA--C 1.524 0.647 0 N-CA-C 110.903 -0.879 . . . . 11.51 110.903 -179.935 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 52.7 t0 -81.81 -29.39 32.68 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.763 0.316 . . . . 14.28 110.653 -179.976 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 105.09 1.08 41.67 Favored Glycine 0 CA--C 1.525 0.683 0 N-CA-C 110.924 -0.87 . . . . 9.47 110.924 -179.998 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 1.5 p -148.54 136.84 21.18 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.792 0.329 . . . . 16.41 110.559 179.967 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 27' ' ' ILE . . . . . 0.414 HD12 ' CE2' ' A' ' 16' ' ' PHE . 5.6 mt -100.03 130.38 49.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.202 -0.454 . . . . 8.03 110.508 179.989 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 33.5 p -111.36 173.97 6.09 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.188 -0.46 . . . . 7.8 110.6 179.955 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 21.0 p -60.04 -42.08 93.66 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.219 -0.446 . . . . 10.04 110.516 179.979 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 2.9 mtpp -63.79 -34.46 77.95 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.154 -0.475 . . . . 16.38 110.628 -179.939 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 32.0 mt-10 -75.34 -43.66 49.43 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.24 -0.436 . . . . 5.59 110.517 179.977 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 1.4 mt -63.61 -59.4 4.67 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.187 -0.461 . . . . 7.72 110.573 -179.978 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 33' ' ' GLY . . . . . 0.446 ' O ' ' N ' ' A' ' 37' ' ' ARG . . . -44.03 -52.45 6.88 Favored Glycine 0 CA--C 1.525 0.688 0 N-CA-C 110.927 -0.869 . . . . 6.93 110.927 179.988 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 29.3 m -49.23 -42.32 40.2 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.772 0.32 . . . . 9.63 110.488 179.939 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 73.6 t -64.52 -51.52 66.76 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.224 -0.443 . . . . 7.07 110.536 179.954 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 36' ' ' MET . . . . . . . . . . . . . 19.2 mmt -68.97 -24.75 64.29 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.22 -0.446 . . . . 10.12 110.475 179.979 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 37' ' ' ARG . . . . . 0.446 ' N ' ' O ' ' A' ' 33' ' ' GLY . 54.9 ttm-85 -65.32 -31.01 71.92 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.215 -0.448 . . . . 9.87 110.533 179.988 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -82.24 -16.05 50.91 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.186 -0.461 . . . . 8.15 110.528 -180.0 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 7.5 mp -87.78 15.0 7.54 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.19 -0.459 . . . . 12.78 110.576 179.968 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 74.51 20.79 79.46 Favored Glycine 0 CA--C 1.525 0.689 0 N-CA-C 110.924 -0.87 . . . . 9.6 110.924 179.986 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 41' ' ' GLN . . . . . 0.459 ' O ' ' ND2' ' A' ' 42' ' ' ASN . 0.9 OUTLIER -102.52 146.11 28.61 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.809 0.337 . . . . 20.35 110.58 -179.975 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 42' ' ' ASN . . . . . 0.459 ' ND2' ' O ' ' A' ' 41' ' ' GLN . 14.3 m120 -136.72 80.02 38.58 Favored Pre-proline 0 C--N 1.329 -0.286 0 CA-C-N 116.195 -0.457 . . . . 10.22 110.556 179.971 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 60.3 Cg_endo -78.1 155.24 29.57 Favored 'Trans proline' 0 C--N 1.306 -1.679 0 C-N-CA 122.809 2.339 . . . . 8.63 112.224 -179.897 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 44' ' ' THR . . . . . 0.443 HG21 ' H ' ' A' ' 45' ' ' GLU . 0.2 OUTLIER -81.01 168.43 18.69 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.18 -0.464 . . . . 4.83 110.509 179.982 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 45' ' ' GLU . . . . . 0.443 ' H ' HG21 ' A' ' 44' ' ' THR . 62.6 tt0 -62.38 -42.19 99.22 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.176 -0.465 . . . . 16.78 110.567 179.967 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -77.95 -21.88 50.36 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.212 -0.449 . . . . 4.8 110.534 179.98 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 43.4 mt-10 -72.28 -53.03 13.66 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.194 -0.457 . . . . 6.18 110.544 179.993 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 48' ' ' LEU . . . . . 0.441 ' O ' ' N ' ' A' ' 51' ' ' MET . 4.7 tp -68.77 -53.25 22.91 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.21 -0.45 . . . . 6.65 110.578 179.968 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 6.6 tp-100 -47.0 -46.1 21.55 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.144 -0.48 . . . . 7.05 110.546 179.976 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 2.6 t70 -69.82 -18.36 63.45 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.216 -0.447 . . . . 6.72 110.532 179.947 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 51' ' ' MET . . . . . 0.441 ' N ' ' O ' ' A' ' 48' ' ' LEU . 4.7 ttt -68.45 -50.13 54.82 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.164 -0.471 . . . . 13.6 110.554 -179.986 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 1.5 mp -53.94 -46.11 64.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.231 -0.44 . . . . 8.71 110.449 179.975 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 1.9 t-20 -43.41 -48.78 7.15 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.26 -0.427 . . . . 9.04 110.482 -179.994 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 70.8 mt-10 -51.21 -49.13 61.64 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.185 -0.461 . . . . 23.58 110.57 179.985 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 2.4 t -83.75 -4.37 8.42 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.232 -0.44 . . . . 7.6 110.553 -179.98 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 56' ' ' ASP . . . . . 0.558 ' OD1' ' O ' ' A' ' 62' ' ' THR . 1.1 t70 -107.52 96.99 6.79 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.186 -0.461 . . . . 12.55 110.59 179.966 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -83.25 -44.56 14.84 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.217 -0.447 . . . . 15.13 110.533 -179.98 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -78.74 -5.71 53.94 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.209 -0.45 . . . . 14.32 110.547 179.999 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 59' ' ' GLY . . . . . 0.429 ' CA ' ' OD2' ' A' ' 56' ' ' ASP . . . 56.45 49.84 66.53 Favored Glycine 0 CA--C 1.524 0.644 0 N-CA-C 110.963 -0.855 . . . . 13.64 110.963 -179.999 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 60' ' ' ASP . . . . . 0.413 ' N ' ' OD2' ' A' ' 56' ' ' ASP . 20.6 p-10 -87.32 -17.94 31.27 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.815 0.341 . . . . 13.27 110.541 -179.959 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 105.73 -10.09 44.89 Favored Glycine 0 CA--C 1.525 0.661 0 N-CA-C 110.939 -0.864 . . . . 11.65 110.939 -179.983 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 62' ' ' THR . . . . . 0.558 ' O ' ' OD1' ' A' ' 56' ' ' ASP . 1.7 p -138.19 178.61 7.0 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.735 0.302 . . . . 11.55 110.541 -179.966 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 63' ' ' ILE . . . . . 0.417 ' CG2' ' HB2' ' A' ' 68' ' ' PHE . 1.7 mp -111.03 141.36 26.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.217 -0.447 . . . . 10.06 110.666 -179.922 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 64' ' ' ASP . . . . . 0.543 ' O ' ' CB ' ' A' ' 68' ' ' PHE . 21.3 m-20 -116.48 -179.17 3.6 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.107 -0.497 . . . . 11.33 110.451 179.983 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 65' ' ' PHE . . . . . 0.503 ' N ' ' CD ' ' A' ' 66' ' ' PRO . 0.1 OUTLIER -70.27 -50.23 15.82 Favored Pre-proline 0 C--N 1.33 -0.271 0 CA-C-N 116.418 -0.356 . . . . 7.4 110.692 -179.779 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 66' ' ' PRO . . . . . 0.561 ' O ' ' OG1' ' A' ' 70' ' ' THR . 31.4 Cg_exo -55.08 -36.47 92.93 Favored 'Trans proline' 0 C--N 1.306 -1.695 0 C-N-CA 122.628 2.219 . . . . 6.66 111.994 -179.902 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 18.1 mt-10 -91.08 -38.81 12.54 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.227 -0.442 . . . . 7.44 110.545 179.991 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 68' ' ' PHE . . . . . 0.543 ' CB ' ' O ' ' A' ' 64' ' ' ASP . 13.5 t80 -56.19 -38.11 70.51 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.239 -0.437 . . . . 8.58 110.595 -179.995 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 69' ' ' LEU . . . . . 0.446 HD21 ' CD2' ' A' ' 12' ' ' PHE . 0.7 OUTLIER -83.67 -43.38 15.64 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.23 -0.441 . . . . 9.43 110.323 179.517 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 70' ' ' THR . . . . . 0.561 ' OG1' ' O ' ' A' ' 66' ' ' PRO . 88.7 m -62.46 -45.9 90.94 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.095 -0.502 . . . . 7.53 110.508 179.956 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 71' ' ' MET . . . . . 0.651 ' SD ' ' N ' ' A' ' 72' ' ' MET . 1.4 tmt? -48.01 -46.1 32.57 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.158 -0.474 . . . . 11.86 110.446 179.965 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 72' ' ' MET . . . . . 0.651 ' N ' ' SD ' ' A' ' 71' ' ' MET . 6.8 ttt -72.67 -49.95 28.2 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.21 -0.45 . . . . 22.32 110.539 179.959 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -52.86 -56.31 16.73 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.182 -0.463 . . . . 9.15 110.537 179.975 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 12.4 mtp85 -46.16 -35.7 5.3 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.231 -0.44 . . . . 13.8 110.496 179.944 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 40.4 tttm -48.51 -47.42 38.89 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.136 -0.484 . . . . 25.18 110.483 179.932 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 76' ' ' MET . . . . . . . . . . . . . 4.1 mtt -67.72 -12.98 61.69 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.201 -0.454 . . . . 34.79 110.554 -179.988 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 33.7 mttm -112.21 39.81 2.35 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.191 -0.459 . . . . 37.65 110.559 -179.983 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 6.2 m-20 -163.72 167.85 20.49 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.247 -0.433 . . . . 42.58 110.581 -179.994 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 75.7 p -72.54 159.88 33.19 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.195 -0.457 . . . . 38.4 110.556 -179.993 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 14.2 m-20 -130.65 157.87 41.57 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.2 -0.455 . . . . 37.51 110.575 -179.978 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 81' ' ' SER . . . . . 0.488 ' C ' ' H ' ' A' ' 83' ' ' GLU . 10.9 t -114.96 123.04 48.08 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.179 -0.464 . . . . 33.12 110.628 179.951 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 29.6 tt0 -52.43 -10.38 0.14 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.216 -0.447 . . . . 34.28 110.637 -179.966 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 83' ' ' GLU . . . . . 0.488 ' H ' ' C ' ' A' ' 81' ' ' SER . 33.3 tt0 -60.3 -60.44 3.81 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.231 -0.441 . . . . 30.91 110.568 -179.942 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 5.2 tp10 -57.62 -20.92 36.26 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.22 -0.446 . . . . 22.86 110.594 -179.968 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 85' ' ' ILE . . . . . 0.409 ' CD1' ' HE1' ' A' ' 145' ' ' MET . 13.6 mt -83.03 -22.32 8.75 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.237 -0.438 . . . . 19.17 110.605 179.973 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 54.3 ttt85 -81.57 -54.46 5.4 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.268 -0.424 . . . . 26.85 110.616 -179.956 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 1.2 tp10 -59.87 -61.79 2.35 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.224 -0.444 . . . . 16.48 110.581 -179.983 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -46.79 -36.13 6.98 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.207 -0.452 . . . . 9.91 110.576 -179.95 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 89' ' ' PHE . . . . . 0.426 ' C ' ' CD2' ' A' ' 89' ' ' PHE . 27.1 t80 -69.54 -34.16 73.82 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.241 -0.436 . . . . 8.53 110.642 179.997 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 14.1 mtp-105 -73.96 -46.41 44.19 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.233 -0.44 . . . . 17.58 110.61 -179.935 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 91' ' ' VAL . . . . . 0.432 ' CG2' HE22 ' A' ' 41' ' ' GLN . 33.8 t -49.99 -17.3 0.43 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.235 -0.439 . . . . 7.82 110.552 -179.847 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 92' ' ' PHE . . . . . . . . . . . . . 6.2 m-85 -95.41 -42.87 8.27 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.234 -0.439 . . . . 9.11 110.491 179.901 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 93' ' ' ASP . . . . . 0.533 ' CG ' ' O ' ' A' ' 99' ' ' TYR . 43.6 t0 -98.12 69.33 2.02 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.142 -0.481 . . . . 11.11 110.584 180.0 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 94' ' ' LYS . . . . . 0.433 ' HZ2' ' HB2' ' A' ' 94' ' ' LYS . 2.2 mtmp? -47.28 -18.47 0.11 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.213 -0.449 . . . . 14.57 111.056 -179.721 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 95' ' ' ASP . . . . . 0.484 ' OD1' ' OE1' ' A' ' 104' ' ' GLU . 0.9 OUTLIER -75.09 -11.52 60.11 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.868 0.366 . . . . 10.2 110.72 -179.72 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 96' ' ' GLY . . . . . 0.438 ' C ' ' H ' ' A' ' 98' ' ' GLY . . . 60.22 9.64 12.43 Favored Glycine 0 CA--C 1.525 0.671 0 N-CA-C 110.974 -0.85 . . . . 6.24 110.974 179.991 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 97' ' ' ASN . . . . . 0.679 ' O ' ' CE1' ' A' ' 99' ' ' TYR . 30.8 m120 -68.79 2.57 2.46 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.841 0.353 . . . . 7.56 110.439 179.89 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 98' ' ' GLY . . . . . 0.47 ' C ' ' CD2' ' A' ' 99' ' ' TYR . . . 64.95 9.55 40.99 Favored Glycine 0 CA--C 1.525 0.701 0 N-CA-C 110.964 -0.855 . . . . 7.08 110.964 179.962 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 99' ' ' TYR . . . . . 0.679 ' CE1' ' O ' ' A' ' 97' ' ' ASN . 1.3 m-85 -129.11 145.16 51.35 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.815 0.34 . . . . 9.0 110.677 179.998 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 81.0 mt -122.04 108.44 21.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.192 -0.458 . . . . 9.29 110.476 179.946 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 101' ' ' SER . . . . . 0.407 ' HA ' ' CB ' ' A' ' 135' ' ' GLN . 0.4 OUTLIER -90.46 151.63 21.31 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.271 -0.422 . . . . 7.02 110.703 -179.955 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -46.66 -38.74 10.18 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.08 -0.509 . . . . 6.41 110.621 -179.966 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -53.44 -59.98 3.88 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.25 -0.432 . . . . 5.01 110.635 -179.99 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 104' ' ' GLU . . . . . 0.484 ' OE1' ' OD1' ' A' ' 95' ' ' ASP . 14.3 mt-10 -60.84 -51.78 67.88 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.213 -0.449 . . . . 6.84 110.611 -179.971 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 105' ' ' LEU . . . . . . . . . . . . . 3.3 tp -47.71 -45.69 28.89 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.192 -0.458 . . . . 4.99 110.57 -179.941 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 106' ' ' ARG . . . . . 0.57 ' O ' ' OG1' ' A' ' 110' ' ' THR . 0.6 OUTLIER -70.59 -16.2 62.83 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.204 -0.453 . . . . 15.24 110.543 -179.964 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 107' ' ' HIS . . . . . 0.425 ' N ' ' O ' ' A' ' 104' ' ' GLU . 32.2 t-80 -80.52 -48.44 12.77 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.236 -0.438 . . . . 15.69 110.597 -179.949 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 108' ' ' VAL . . . . . . . . . . . . . 32.9 t -75.78 -26.11 17.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.198 -0.455 . . . . 12.28 110.623 -179.962 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 109' ' ' MET . . . . . . . . . . . . . 4.5 mmt -78.48 -17.81 55.75 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.186 -0.461 . . . . 9.53 110.591 -179.957 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 110' ' ' THR . . . . . 0.57 ' OG1' ' O ' ' A' ' 106' ' ' ARG . 97.5 m -82.34 -40.57 21.22 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.207 -0.452 . . . . 11.87 110.605 -179.933 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 111' ' ' ASN . . . . . . . . . . . . . 48.5 t-20 -76.7 -18.14 58.7 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.269 -0.423 . . . . 21.65 110.497 -179.996 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -50.1 -26.24 4.27 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.196 -0.456 . . . . 19.55 110.572 179.989 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . 115.09 -2.22 22.61 Favored Glycine 0 CA--C 1.525 0.699 0 N-CA-C 110.864 -0.895 . . . . 19.66 110.864 -179.985 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 114' ' ' GLU . . . . . 0.471 ' OE1' ' N ' ' A' ' 114' ' ' GLU . 4.3 mp0 -124.3 123.48 40.31 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.664 0.269 . . . . 25.55 110.476 179.861 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 1.5 tptp -78.79 115.7 18.65 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.362 -0.381 . . . . 23.26 110.51 -179.91 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 116' ' ' LEU . . . . . 0.6 ' CD2' ' OE1' ' A' ' 120' ' ' GLU . 1.2 mt -109.17 158.83 17.43 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.169 -0.469 . . . . 23.07 110.535 -179.999 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 117' ' ' THR . . . . . . . . . . . . . 30.3 p -89.55 150.29 22.5 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.254 -0.43 . . . . 19.41 110.531 179.994 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 118' ' ' ASP . . . . . . . . . . . . . 49.8 t0 -70.67 -25.78 63.14 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.212 -0.449 . . . . 18.08 110.584 179.967 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 119' ' ' GLU . . . . . 0.51 ' N ' ' CD ' ' A' ' 119' ' ' GLU . 0.2 OUTLIER -68.56 -45.04 73.18 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.185 -0.461 . . . . 20.16 110.575 179.969 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 120' ' ' GLU . . . . . 0.6 ' OE1' ' CD2' ' A' ' 116' ' ' LEU . 65.3 tt0 -67.8 -33.57 75.06 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.213 -0.448 . . . . 14.19 110.524 -179.947 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 121' ' ' VAL . . . . . . . . . . . . . 68.9 t -75.85 -44.52 38.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.201 -0.454 . . . . 14.97 110.543 -179.999 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 122' ' ' ASP . . . . . . . . . . . . . 35.4 t0 -73.35 -42.59 62.06 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.213 -0.449 . . . . 20.12 110.539 179.999 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 123' ' ' GLU . . . . . 0.403 ' CB ' ' O ' ' A' ' 119' ' ' GLU . 39.0 tt0 -61.41 -35.92 78.89 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.24 -0.436 . . . . 15.72 110.577 179.989 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 124' ' ' MET . . . . . . . . . . . . . 34.8 ttp -66.91 -61.43 1.95 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.175 -0.466 . . . . 9.75 110.52 179.99 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 125' ' ' ILE . . . . . 0.515 ' O ' ' CB ' ' A' ' 129' ' ' ASP . 60.8 mt -56.83 -44.34 81.78 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.23 -0.441 . . . . 11.99 110.573 179.954 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 126' ' ' ARG . . . . . . . . . . . . . 8.9 tpt180 -55.08 -23.13 18.86 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.153 -0.476 . . . . 27.23 110.538 179.973 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 127' ' ' GLU . . . . . . . . . . . . . 20.3 tt0 -88.91 -54.66 4.03 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.193 -0.458 . . . . 15.5 110.536 -179.988 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 128' ' ' ALA . . . . . . . . . . . . . . . -70.86 -21.43 62.42 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.201 -0.454 . . . . 10.5 110.508 179.989 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 129' ' ' ASP . . . . . 0.619 ' OD1' ' N ' ' A' ' 132' ' ' GLY . 50.7 t0 -75.39 92.79 2.84 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.164 -0.471 . . . . 10.86 110.513 179.973 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 130' ' ' ILE . . . . . . . . . . . . . 2.2 mt -48.85 -40.5 12.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.181 -0.463 . . . . 12.26 110.637 -179.914 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 131' ' ' ASP . . . . . 0.425 ' CB ' ' OD2' ' A' ' 133' ' ' ASP . 60.3 m-20 -83.34 -17.96 40.58 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.291 -0.413 . . . . 7.79 110.648 -179.881 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 132' ' ' GLY . . . . . 0.619 ' N ' ' OD1' ' A' ' 129' ' ' ASP . . . 52.81 54.43 28.33 Favored Glycine 0 CA--C 1.524 0.635 0 N-CA-C 110.946 -0.861 . . . . 3.93 110.946 -179.928 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 133' ' ' ASP . . . . . 0.512 ' OD2' ' N ' ' A' ' 133' ' ' ASP . 0.0 OUTLIER -100.93 -12.5 18.9 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.799 0.333 . . . . 9.56 110.66 -179.979 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 134' ' ' GLY . . . . . . . . . . . . . . . 105.04 8.85 35.59 Favored Glycine 0 CA--C 1.524 0.63 0 N-CA-C 110.971 -0.852 . . . . 7.32 110.971 -179.98 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 135' ' ' GLN . . . . . 0.407 ' CB ' ' HA ' ' A' ' 101' ' ' SER . 4.0 pt20 -146.14 166.19 26.92 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.753 0.311 . . . . 22.05 110.441 179.935 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 136' ' ' VAL . . . . . . . . . . . . . 38.6 t -121.77 100.14 8.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.323 -0.399 . . . . 10.34 110.634 179.999 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 137' ' ' ASN . . . . . . . . . . . . . 3.3 m120 -67.88 159.85 29.64 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.083 -0.508 . . . . 12.02 110.629 -179.987 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 138' ' ' TYR . . . . . . . . . . . . . 33.5 t80 -52.51 -37.34 57.23 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.246 -0.434 . . . . 8.75 110.513 179.982 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 139' ' ' GLU . . . . . . . . . . . . . 1.6 tm-20 -57.55 -37.59 73.35 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.168 -0.469 . . . . 22.33 110.52 -179.968 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 140' ' ' GLU . . . . . . . . . . . . . 1.9 mt-10 -65.09 -39.64 93.48 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.204 -0.453 . . . . 13.45 110.544 179.988 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 141' ' ' PHE . . . . . . . . . . . . . 2.1 m-85 -51.89 -56.91 11.22 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.163 -0.472 . . . . 8.25 110.515 179.889 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 142' ' ' VAL . . . . . 0.564 ' O ' ' OG1' ' A' ' 146' ' ' THR . 71.4 t -52.48 -23.26 4.42 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.164 -0.471 . . . . 10.15 110.49 179.95 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 143' ' ' GLN . . . . . 0.426 ' O ' ' N ' ' A' ' 146' ' ' THR . 0.5 OUTLIER -70.03 -46.87 64.13 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.185 -0.462 . . . . 8.24 110.494 179.904 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 144' ' ' MET . . . . . . . . . . . . . 5.0 ttt -48.71 -24.73 1.48 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.138 -0.483 . . . . 6.68 110.523 -179.943 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 145' ' ' MET . . . . . 0.44 ' CG ' ' O ' ' A' ' 142' ' ' VAL . 16.8 ptp -104.64 -10.85 17.24 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.229 -0.441 . . . . 13.37 110.548 179.864 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 146' ' ' THR . . . . . 0.564 ' OG1' ' O ' ' A' ' 142' ' ' VAL . 14.7 m -80.76 10.77 4.48 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.074 -0.512 . . . . 10.78 110.638 -179.989 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 147' ' ' ALA . . . . . . . . . . . . . . . -84.5 146.57 27.52 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.266 -0.425 . . . . 18.52 110.455 179.942 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 148' ' ' LYS . . . . . . . . . . . . . 33.9 pttt . . . . . 0 C--O 1.22 -0.467 0 CA-C-O 118.009 -0.996 . . . . 23.42 110.588 179.945 . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 401' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 402' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 403' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 404' ' ' ' TB' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 37.0 tt0 . . . . . 0 C--O 1.231 0.089 0 CA-C-O 120.799 0.333 . . . . 23.46 110.577 . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 1.2 tp -77.56 126.96 31.7 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.219 -0.446 . . . . 14.38 110.554 179.987 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 5' ' ' THR . . . . . 0.467 ' OG1' ' NE2' ' A' ' 8' ' ' GLN . 69.5 p -72.64 151.39 42.31 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.181 -0.463 . . . . 7.34 110.57 -179.974 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 6' ' ' GLU . . . . . 0.467 ' HG2' ' H ' ' A' ' 7' ' ' GLU . 1.0 OUTLIER -49.05 -44.12 41.43 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.227 -0.442 . . . . 7.12 110.525 179.969 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 7' ' ' GLU . . . . . 0.535 ' C ' ' OE1' ' A' ' 8' ' ' GLN . 25.1 mt-10 -53.16 -28.28 25.47 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.223 -0.444 . . . . 6.85 110.528 179.997 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 8' ' ' GLN . . . . . 0.545 ' OE1' ' N ' ' A' ' 8' ' ' GLN . 0.8 OUTLIER -90.69 -51.69 5.25 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.165 -0.47 . . . . 15.1 110.653 179.975 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 76.8 mt -48.68 -31.18 3.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.193 -0.458 . . . . 4.72 110.553 179.98 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -78.11 -59.45 2.77 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.248 -0.433 . . . . 6.68 110.551 -179.924 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 11.3 tm-20 -44.06 -32.13 1.1 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.265 -0.425 . . . . 18.49 110.613 -179.935 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 12' ' ' PHE . . . . . 0.46 ' CD2' HD23 ' A' ' 69' ' ' LEU . 8.0 m-85 -75.13 -50.06 17.56 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.193 -0.458 . . . . 14.89 110.595 179.941 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 1.7 tmtt? -46.95 -35.17 6.22 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.185 -0.462 . . . . 18.39 110.45 179.991 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 9.6 mm-40 -61.96 -48.91 78.26 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.185 -0.461 . . . . 22.76 110.511 179.988 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 15' ' ' ALA . . . . . 0.48 ' O ' ' CB ' ' A' ' 18' ' ' LEU . . . -45.82 -51.55 12.69 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.176 -0.466 . . . . 5.67 110.574 179.92 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 16' ' ' PHE . . . . . 0.429 ' O ' ' N ' ' A' ' 19' ' ' PHE . 0.1 OUTLIER -42.8 -60.17 1.68 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.153 -0.476 . . . . 13.28 110.416 179.995 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 66.7 m -45.33 -21.44 0.09 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.145 -0.479 . . . . 12.16 110.492 179.998 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 18' ' ' LEU . . . . . 0.48 ' CB ' ' O ' ' A' ' 15' ' ' ALA . 10.2 tp -75.71 -39.01 58.09 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.157 -0.474 . . . . 17.89 110.522 179.971 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 19' ' ' PHE . . . . . 0.429 ' N ' ' O ' ' A' ' 16' ' ' PHE . 52.9 m-85 -90.03 -50.32 6.08 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.252 -0.431 . . . . 9.14 110.515 -179.957 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 1.7 m-20 -72.98 68.19 0.9 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.24 -0.436 . . . . 7.47 110.575 179.994 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 4.8 ttpt -60.85 -19.65 60.41 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.098 -0.501 . . . . 27.75 110.62 -179.952 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 22' ' ' ASP . . . . . 0.511 ' OD1' ' OE2' ' A' ' 31' ' ' GLU . 8.5 m-20 -95.09 -15.26 23.53 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.242 -0.435 . . . . 14.13 110.6 -179.914 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 63.12 37.76 95.45 Favored Glycine 0 CA--C 1.526 0.727 0 N-CA-C 110.909 -0.877 . . . . 11.51 110.909 179.987 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 31.2 m-20 -79.78 -29.83 40.48 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.788 0.327 . . . . 14.28 110.588 -179.989 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 105.18 5.61 40.29 Favored Glycine 0 CA--C 1.525 0.671 0 N-CA-C 110.918 -0.873 . . . . 9.47 110.918 -179.939 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 4.3 p -148.66 143.32 26.42 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.801 0.334 . . . . 16.41 110.576 -179.987 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 1.3 mt -107.86 125.15 64.39 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.21 -0.45 . . . . 8.03 110.535 179.995 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 1.5 p -107.32 170.69 7.81 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.19 -0.459 . . . . 7.8 110.558 -179.989 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 1.3 m -70.46 -19.53 62.95 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.183 -0.462 . . . . 10.04 110.548 -179.962 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 32.6 tptt -74.68 -35.49 62.79 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.22 -0.446 . . . . 16.38 110.623 -179.98 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 31' ' ' GLU . . . . . 0.511 ' OE2' ' OD1' ' A' ' 22' ' ' ASP . 30.7 mt-10 -85.32 -28.65 25.1 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.219 -0.446 . . . . 5.59 110.57 -180.0 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -64.61 -59.87 3.79 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.18 -0.464 . . . . 7.72 110.573 -179.95 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 33' ' ' GLY . . . . . 0.53 ' O ' ' N ' ' A' ' 37' ' ' ARG . . . -57.26 -48.75 77.85 Favored Glycine 0 CA--C 1.525 0.661 0 N-CA-C 110.913 -0.875 . . . . 6.93 110.913 179.979 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 97.7 m -49.48 -43.76 45.42 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.804 0.335 . . . . 9.63 110.506 179.984 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 72.8 t -71.9 -38.18 63.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.206 -0.452 . . . . 7.07 110.557 -179.993 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 36' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -77.0 -22.36 53.23 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.184 -0.462 . . . . 10.12 110.559 179.995 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 37' ' ' ARG . . . . . 0.53 ' N ' ' O ' ' A' ' 33' ' ' GLY . 36.8 ttm180 -72.54 -31.44 65.3 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.169 -0.469 . . . . 9.87 110.602 179.995 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 32.8 t -85.73 -14.47 45.19 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.225 -0.443 . . . . 8.15 110.611 179.947 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 4.1 mp -80.98 8.09 9.22 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.175 -0.466 . . . . 12.78 110.585 179.962 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 87.14 5.44 80.21 Favored Glycine 0 CA--C 1.525 0.702 0 N-CA-C 110.912 -0.875 . . . . 9.6 110.912 179.955 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 3.0 mm-40 -99.91 151.27 21.51 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.748 0.309 . . . . 20.35 110.6 -179.958 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 49.8 m-20 -131.98 80.03 65.89 Favored Pre-proline 0 C--N 1.328 -0.332 0 CA-C-N 116.226 -0.443 . . . . 10.22 110.543 179.933 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 60.5 Cg_endo -78.13 150.6 26.28 Favored 'Trans proline' 0 C--N 1.306 -1.689 0 C-N-CA 122.792 2.328 . . . . 8.63 112.24 -179.91 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 44' ' ' THR . . . . . 0.52 ' O ' ' N ' ' A' ' 47' ' ' GLU . 66.5 m -98.94 152.19 20.05 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.148 -0.478 . . . . 4.83 110.56 179.896 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 16.6 mt-10 -45.43 -32.17 2.02 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.258 -0.428 . . . . 16.78 110.532 -179.939 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -73.63 -26.62 60.86 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.197 -0.456 . . . . 4.8 110.534 179.991 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 47' ' ' GLU . . . . . 0.52 ' N ' ' O ' ' A' ' 44' ' ' THR . 52.0 tt0 -78.55 -60.76 2.24 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.225 -0.443 . . . . 6.18 110.585 -179.997 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 68.8 mt -50.21 -49.5 52.54 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.195 -0.457 . . . . 6.65 110.559 179.968 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 19.3 tt0 -49.56 -43.72 46.2 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.177 -0.465 . . . . 7.05 110.558 -179.999 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 11.8 t70 -73.37 -28.42 62.02 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.228 -0.442 . . . . 6.72 110.546 179.993 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 51' ' ' MET . . . . . . . . . . . . . 26.2 ttm -69.52 -59.95 2.65 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.234 -0.439 . . . . 13.6 110.564 179.965 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 52' ' ' ILE . . . . . 0.486 HG21 HD12 ' A' ' 52' ' ' ILE . 36.2 mm -49.0 -47.21 16.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.212 -0.449 . . . . 8.71 110.579 179.965 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 8.9 m-20 -48.82 -46.5 42.03 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.246 -0.434 . . . . 9.04 110.522 179.942 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -51.18 -37.0 43.97 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.21 -0.45 . . . . 23.58 110.547 -179.909 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 19.0 t -93.67 -18.73 6.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.236 -0.438 . . . . 7.6 110.533 179.997 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 56' ' ' ASP . . . . . 0.576 ' OD1' ' OD1' ' A' ' 60' ' ' ASP . 40.8 t0 -107.61 92.07 3.92 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.165 -0.47 . . . . 12.55 110.582 179.993 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -82.69 -31.64 28.48 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.213 -0.449 . . . . 15.13 110.6 -179.96 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -80.5 -10.16 59.75 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.192 -0.458 . . . . 14.32 110.603 179.966 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 61.45 47.78 88.74 Favored Glycine 0 CA--C 1.524 0.634 0 N-CA-C 110.989 -0.844 . . . . 13.64 110.989 -179.957 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 60' ' ' ASP . . . . . 0.652 ' N ' ' OD1' ' A' ' 60' ' ' ASP . 0.0 OUTLIER -87.57 -9.99 52.82 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.792 0.33 . . . . 13.27 110.564 -179.993 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 88.41 -3.73 85.3 Favored Glycine 0 CA--C 1.525 0.697 0 N-CA-C 110.885 -0.886 . . . . 11.65 110.885 -179.999 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 52.2 p -140.78 178.61 7.22 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.794 0.331 . . . . 11.55 110.591 -179.96 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 63' ' ' ILE . . . . . . . . . . . . . 98.6 mt -119.96 141.22 41.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.227 -0.442 . . . . 10.06 110.543 -179.983 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 64' ' ' ASP . . . . . 0.623 ' OD1' ' N ' ' A' ' 64' ' ' ASP . 0.0 OUTLIER -96.2 -178.86 4.46 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.215 -0.448 . . . . 11.33 110.541 179.961 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 65' ' ' PHE . . . . . 0.522 ' N ' ' HD2' ' A' ' 66' ' ' PRO . 3.0 t80 -85.03 -45.1 0.67 Allowed Pre-proline 0 CA--C 1.532 0.282 0 CA-C-N 116.288 -0.415 . . . . 7.4 111.217 -179.956 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 66' ' ' PRO . . . . . 0.522 ' HD2' ' N ' ' A' ' 65' ' ' PHE . 55.8 Cg_endo -74.7 -42.83 0.51 Allowed 'Trans proline' 0 N--CA 1.492 1.386 0 C-N-CA 122.021 1.814 . . . . 6.66 111.952 -179.946 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 67' ' ' GLU . . . . . 0.539 ' OE1' ' CG ' ' A' ' 64' ' ' ASP . 11.4 pt-20 -67.22 -19.0 65.48 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.226 -0.443 . . . . 7.44 110.26 179.688 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 68' ' ' PHE . . . . . . . . . . . . . 20.2 t80 -73.2 -25.12 60.64 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.018 -0.537 . . . . 8.58 110.384 179.871 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 69' ' ' LEU . . . . . 0.472 ' O ' ' N ' ' A' ' 73' ' ' ALA . 0.7 OUTLIER -83.24 -30.58 27.57 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.182 -0.463 . . . . 9.43 110.316 179.596 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 1.2 m -64.04 -55.18 24.11 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.123 -0.489 . . . . 7.53 110.586 -179.948 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 71' ' ' MET . . . . . 0.407 ' SD ' ' HG2' ' A' ' 72' ' ' MET . 0.0 OUTLIER -49.08 -44.78 42.29 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.191 -0.459 . . . . 11.86 110.561 179.979 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 72' ' ' MET . . . . . 0.407 ' HG2' ' SD ' ' A' ' 71' ' ' MET . 8.0 mmm -79.25 -40.69 29.96 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.221 -0.445 . . . . 22.32 110.654 -179.953 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 73' ' ' ALA . . . . . 0.472 ' N ' ' O ' ' A' ' 69' ' ' LEU . . . -64.54 -56.41 14.21 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.222 -0.445 . . . . 9.15 110.645 -179.955 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 12.8 ttt180 -45.27 -40.48 7.6 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.181 -0.463 . . . . 13.8 110.597 -179.996 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 30.8 tptt -51.58 -46.37 63.45 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.178 -0.464 . . . . 25.18 110.523 -179.973 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 76' ' ' MET . . . . . . . . . . . . . 59.7 mmm -60.99 -34.69 75.18 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.244 -0.434 . . . . 34.79 110.561 179.964 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 26.7 mtmm -94.65 39.92 1.09 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.216 -0.447 . . . . 37.65 110.58 -179.984 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 78' ' ' ASP . . . . . 0.442 ' CG ' ' H ' ' A' ' 79' ' ' THR . 28.2 t0 -158.07 -173.37 4.31 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.16 -0.473 . . . . 42.58 110.533 -179.978 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 79' ' ' THR . . . . . 0.442 ' H ' ' CG ' ' A' ' 78' ' ' ASP . 70.5 p -72.7 163.51 27.97 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.202 -0.454 . . . . 38.4 110.596 179.997 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 3.5 m-20 -123.01 147.19 46.93 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.207 -0.451 . . . . 37.51 110.573 -179.973 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 13.8 p -113.78 112.75 23.93 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.184 -0.462 . . . . 33.12 110.539 -179.989 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -59.89 -11.48 5.63 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.253 -0.431 . . . . 34.28 110.51 -179.98 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 83' ' ' GLU . . . . . 0.42 ' HG3' HH11 ' A' ' 86' ' ' ARG . 30.4 tt0 -62.7 -56.27 19.22 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.252 -0.431 . . . . 30.91 110.565 -179.959 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 82.2 mt-10 -60.27 -32.87 71.59 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.221 -0.445 . . . . 22.86 110.573 179.988 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 85' ' ' ILE . . . . . . . . . . . . . 8.1 mt -66.92 -20.48 27.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.231 -0.441 . . . . 19.17 110.569 -179.992 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 86' ' ' ARG . . . . . 0.42 HH11 ' HG3' ' A' ' 83' ' ' GLU . 40.0 mtm180 -82.41 -52.27 7.05 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.15 -0.477 . . . . 26.85 110.53 179.993 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 87' ' ' GLU . . . . . 0.443 ' HA ' ' NH2' ' A' ' 90' ' ' ARG . 4.0 tt0 -68.5 -54.66 15.43 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.174 -0.466 . . . . 16.48 110.561 180.0 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -48.52 -45.31 37.14 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.209 -0.45 . . . . 9.91 110.568 179.998 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 89' ' ' PHE . . . . . 0.499 ' C ' ' CD2' ' A' ' 89' ' ' PHE . 16.1 t80 -65.62 -29.97 70.62 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.239 -0.437 . . . . 8.53 110.584 179.975 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 90' ' ' ARG . . . . . 0.443 ' NH2' ' HA ' ' A' ' 87' ' ' GLU . 14.4 ttm105 -79.71 -18.92 50.13 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.18 -0.464 . . . . 17.58 110.585 179.95 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 91' ' ' VAL . . . . . . . . . . . . . 55.2 t -66.12 -26.52 38.41 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 116.192 -0.458 . . . . 7.82 110.589 -179.982 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 92' ' ' PHE . . . . . . . . . . . . . 86.6 m-85 -95.31 -41.43 9.03 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.161 -0.472 . . . . 9.11 110.702 179.986 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 93' ' ' ASP . . . . . 0.562 ' OD2' ' O ' ' A' ' 99' ' ' TYR . 7.4 t0 -80.36 68.82 6.66 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.198 -0.456 . . . . 11.11 110.655 -179.877 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 77.8 mttt -49.42 -19.02 0.46 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.222 -0.444 . . . . 14.57 111.122 -179.662 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 95' ' ' ASP . . . . . 0.572 ' OD1' ' OE1' ' A' ' 104' ' ' GLU . 1.8 m-20 -78.91 -13.87 59.55 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 120.857 0.36 . . . . 10.2 110.617 -179.918 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 96' ' ' GLY . . . . . 0.403 ' C ' ' H ' ' A' ' 98' ' ' GLY . . . 60.49 11.77 23.02 Favored Glycine 0 CA--C 1.525 0.66 0 N-CA-C 111.024 -0.83 . . . . 6.24 111.024 -179.869 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 97' ' ' ASN . . . . . 0.677 ' ND2' ' CE1' ' A' ' 99' ' ' TYR . 32.9 p-10 -73.85 5.84 3.78 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.894 0.378 . . . . 7.56 110.359 179.794 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 98' ' ' GLY . . . . . 0.46 ' O ' ' CZ ' ' A' ' 89' ' ' PHE . . . 67.31 -7.83 1.7 Allowed Glycine 0 CA--C 1.526 0.728 0 N-CA-C 110.979 -0.849 . . . . 7.08 110.979 179.883 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 99' ' ' TYR . . . . . 0.677 ' CE1' ' ND2' ' A' ' 97' ' ' ASN . 0.8 OUTLIER -129.77 141.04 50.93 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.842 0.354 . . . . 9.0 110.58 -179.993 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 12.8 mt -122.1 128.67 75.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.194 -0.457 . . . . 9.29 110.469 179.94 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 101' ' ' SER . . . . . 0.678 ' HG ' ' H ' ' A' ' 103' ' ' ALA . 5.2 p -91.91 151.53 20.49 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.276 -0.42 . . . . 7.02 110.675 -179.944 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -44.48 -19.31 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.069 -0.514 . . . . 6.41 110.652 -179.912 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 103' ' ' ALA . . . . . 0.678 ' H ' ' HG ' ' A' ' 101' ' ' SER . . . -73.38 -60.02 2.44 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.203 -0.453 . . . . 5.01 110.663 -179.918 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 104' ' ' GLU . . . . . 0.572 ' OE1' ' OD1' ' A' ' 95' ' ' ASP . 8.8 mt-10 -63.85 -42.48 97.56 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.204 -0.453 . . . . 6.84 110.597 -179.944 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 105' ' ' LEU . . . . . 0.435 ' C ' ' CD1' ' A' ' 105' ' ' LEU . 0.2 OUTLIER -47.61 -51.04 22.65 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.258 -0.428 . . . . 4.99 110.585 -179.958 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 106' ' ' ARG . . . . . 0.569 ' O ' ' OG1' ' A' ' 110' ' ' THR . 55.7 ttt-85 -69.17 -28.13 66.14 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.216 -0.447 . . . . 15.24 110.622 -179.969 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 107' ' ' HIS . . . . . . . . . . . . . 54.2 t-80 -61.04 -45.21 95.71 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.184 -0.462 . . . . 15.69 110.643 -179.981 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 108' ' ' VAL . . . . . . . . . . . . . 55.7 t -68.94 -62.63 1.19 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.164 -0.471 . . . . 12.28 110.673 179.999 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 109' ' ' MET . . . . . . . . . . . . . 3.3 mmt -55.75 -18.81 9.16 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.171 -0.468 . . . . 9.53 110.649 -179.948 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 110' ' ' THR . . . . . 0.569 ' OG1' ' O ' ' A' ' 106' ' ' ARG . 1.4 m -71.38 -50.27 33.82 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.28 -0.418 . . . . 11.87 110.689 -179.963 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 111' ' ' ASN . . . . . . . . . . . . . 21.3 t-20 -74.94 -14.75 60.67 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.291 -0.413 . . . . 21.65 110.62 -179.997 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -50.04 -24.75 2.84 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.196 -0.457 . . . . 19.55 110.517 -179.988 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . 115.35 -2.0 22.2 Favored Glycine 0 CA--C 1.525 0.678 0 N-CA-C 110.798 -0.921 . . . . 19.66 110.798 -179.912 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 22.6 mp0 -124.54 128.08 48.38 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.723 0.297 . . . . 25.55 110.393 179.691 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 2.0 tptp -85.79 116.94 24.35 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.412 -0.358 . . . . 23.26 110.572 -179.925 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 116' ' ' LEU . . . . . . . . . . . . . 10.2 mt -109.96 145.54 36.76 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.232 -0.44 . . . . 23.07 110.554 179.95 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 117' ' ' THR . . . . . . . . . . . . . 15.6 p -69.23 148.69 49.47 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.179 -0.464 . . . . 19.41 110.588 179.975 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 118' ' ' ASP . . . . . . . . . . . . . 9.3 p-10 -74.71 -42.23 58.73 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.213 -0.449 . . . . 18.08 110.572 179.944 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 119' ' ' GLU . . . . . . . . . . . . . 44.8 mt-10 -58.25 -27.69 64.22 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.197 -0.456 . . . . 20.16 110.596 179.991 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 120' ' ' GLU . . . . . . . . . . . . . 1.2 tp10 -82.28 -36.59 26.91 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.174 -0.466 . . . . 14.19 110.545 -179.962 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 121' ' ' VAL . . . . . . . . . . . . . 93.3 t -70.34 -43.55 78.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.24 -0.436 . . . . 14.97 110.57 179.978 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 122' ' ' ASP . . . . . . . . . . . . . 1.1 t70 -68.04 -51.89 41.67 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.214 -0.448 . . . . 20.12 110.563 179.997 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 123' ' ' GLU . . . . . . . . . . . . . 50.2 tp10 -53.23 -56.03 19.74 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.197 -0.456 . . . . 15.72 110.595 -179.971 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 124' ' ' MET . . . . . . . . . . . . . 10.6 mmt -48.52 -61.52 1.98 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.211 -0.449 . . . . 9.75 110.578 179.975 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 125' ' ' ILE . . . . . 0.426 ' C ' ' N ' ' A' ' 127' ' ' GLU . 21.0 mt -57.3 -53.82 38.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.144 -0.48 . . . . 11.99 110.566 -179.986 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 126' ' ' ARG . . . . . . . . . . . . . 69.3 ttt180 -46.06 -20.53 0.1 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.207 -0.451 . . . . 27.23 110.577 -179.986 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 127' ' ' GLU . . . . . 0.426 ' N ' ' C ' ' A' ' 125' ' ' ILE . 3.9 tt0 -81.85 -49.31 10.51 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.152 -0.476 . . . . 15.5 110.537 -179.969 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 128' ' ' ALA . . . . . . . . . . . . . . . -81.49 -12.89 58.7 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.237 -0.438 . . . . 10.5 110.579 179.994 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 129' ' ' ASP . . . . . 0.592 ' OD2' ' N ' ' A' ' 132' ' ' GLY . 37.1 t0 -72.19 92.78 1.39 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.194 -0.457 . . . . 10.86 110.594 179.975 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 130' ' ' ILE . . . . . . . . . . . . . 30.6 mt -49.53 -44.96 19.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.154 -0.475 . . . . 12.26 110.595 -179.973 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 131' ' ' ASP . . . . . 0.567 ' OD2' ' N ' ' A' ' 131' ' ' ASP . 0.1 OUTLIER -74.8 -17.77 60.57 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.171 -0.468 . . . . 7.79 110.622 -179.984 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 132' ' ' GLY . . . . . 0.592 ' N ' ' OD2' ' A' ' 129' ' ' ASP . . . 49.2 42.31 32.02 Favored Glycine 0 CA--C 1.524 0.635 0 N-CA-C 110.947 -0.861 . . . . 3.93 110.947 -179.97 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 133' ' ' ASP . . . . . 0.486 ' OD2' ' N ' ' A' ' 135' ' ' GLN . 12.9 p30 -100.12 -9.91 22.05 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.749 0.309 . . . . 9.56 110.575 179.972 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 134' ' ' GLY . . . . . . . . . . . . . . . 104.96 5.72 40.79 Favored Glycine 0 CA--C 1.524 0.649 0 N-CA-C 110.933 -0.867 . . . . 7.32 110.933 179.993 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 135' ' ' GLN . . . . . 0.546 ' O ' ' OD1' ' A' ' 129' ' ' ASP . 4.6 mp0 -136.68 157.78 45.98 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.824 0.345 . . . . 22.05 110.559 179.948 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 136' ' ' VAL . . . . . 0.417 HG12 ' N ' ' A' ' 137' ' ' ASN . 48.5 t -111.71 139.34 36.51 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.233 -0.44 . . . . 10.34 110.605 -179.972 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 137' ' ' ASN . . . . . 0.417 ' N ' HG12 ' A' ' 136' ' ' VAL . 14.6 m120 -109.78 159.53 17.11 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.146 -0.479 . . . . 12.02 110.355 179.649 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 138' ' ' TYR . . . . . . . . . . . . . 27.1 t80 -54.32 -31.34 53.99 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.381 -0.372 . . . . 8.75 110.497 179.919 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 139' ' ' GLU . . . . . . . . . . . . . 28.5 tt0 -64.32 -41.65 96.7 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.138 -0.483 . . . . 22.33 110.521 179.958 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 140' ' ' GLU . . . . . . . . . . . . . 2.2 mt-10 -61.48 -42.85 99.41 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.178 -0.465 . . . . 13.45 110.493 179.935 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 141' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER -50.18 -44.06 52.73 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.206 -0.452 . . . . 8.25 110.495 179.874 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 142' ' ' VAL . . . . . 0.656 ' O ' ' SD ' ' A' ' 145' ' ' MET . 6.4 t -59.26 -50.74 78.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.17 -0.468 . . . . 10.15 110.469 179.869 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 143' ' ' GLN . . . . . . . . . . . . . 30.8 mm-40 -43.33 -38.37 2.64 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.194 -0.457 . . . . 8.24 110.48 179.873 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 144' ' ' MET . . . . . . . . . . . . . 2.9 mmt -55.21 -43.64 74.64 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.175 -0.466 . . . . 6.68 110.506 179.941 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 145' ' ' MET . . . . . 0.656 ' SD ' ' O ' ' A' ' 142' ' ' VAL . 1.1 ppp? -93.69 -12.96 28.12 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.23 -0.441 . . . . 13.37 110.55 179.971 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 146' ' ' THR . . . . . 0.652 ' N ' ' SD ' ' A' ' 145' ' ' MET . 0.2 OUTLIER -80.4 10.72 4.28 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.204 -0.453 . . . . 10.78 110.585 179.924 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 147' ' ' ALA . . . . . . . . . . . . . . . -99.33 145.84 26.91 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.166 -0.47 . . . . 18.52 110.518 -179.98 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 148' ' ' LYS . . . . . 0.616 ' H ' ' CD ' ' A' ' 148' ' ' LYS . 0.0 OUTLIER . . . . . 0 C--O 1.22 -0.467 0 CA-C-O 118.01 -0.995 . . . . 23.42 110.547 -179.965 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 401' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 402' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 403' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 404' ' ' ' TB' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 39.6 mm-40 . . . . . 0 C--O 1.23 0.072 0 CA-C-O 120.833 0.349 . . . . 23.46 110.571 . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 1.1 tp -78.9 126.92 31.34 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.172 -0.467 . . . . 14.38 110.594 -179.973 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 8.3 m -75.92 155.19 35.4 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.192 -0.458 . . . . 7.34 110.591 -179.98 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 6' ' ' GLU . . . . . 0.458 ' HG3' ' H ' ' A' ' 7' ' ' GLU . 0.8 OUTLIER -52.54 -47.0 67.02 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.196 -0.456 . . . . 7.12 110.561 179.986 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 7' ' ' GLU . . . . . 0.458 ' H ' ' HG3' ' A' ' 6' ' ' GLU . 42.0 mt-10 -52.07 -27.28 13.32 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.187 -0.46 . . . . 6.85 110.551 179.995 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 30.1 mt-30 -90.71 -47.9 7.37 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.218 -0.446 . . . . 15.1 110.543 -179.953 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 69.3 mt -57.3 -32.32 40.58 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.208 -0.451 . . . . 4.72 110.555 -179.95 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -72.24 -59.46 2.72 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.197 -0.456 . . . . 6.68 110.557 -179.964 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 11.2 tp10 -45.49 -39.88 7.79 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.243 -0.435 . . . . 18.49 110.554 -179.946 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 12' ' ' PHE . . . . . 0.429 ' CG ' HD23 ' A' ' 69' ' ' LEU . 3.9 m-85 -63.46 -44.34 94.74 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.22 -0.445 . . . . 14.89 110.596 180.0 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 13.8 ttmm -47.93 -32.32 6.25 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.165 -0.47 . . . . 18.39 110.579 179.909 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -66.63 -51.43 56.4 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.197 -0.456 . . . . 22.76 110.592 179.989 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -45.05 -48.29 11.76 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.238 -0.437 . . . . 5.67 110.543 179.977 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -49.84 -60.23 3.1 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.165 -0.471 . . . . 13.28 110.49 179.984 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -47.34 -21.59 0.31 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.164 -0.471 . . . . 12.16 110.473 179.966 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -74.96 -37.54 61.93 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.155 -0.475 . . . . 17.89 110.507 179.927 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 47.3 m-85 -90.05 -50.21 6.14 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.225 -0.443 . . . . 9.14 110.589 179.953 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 20' ' ' ASP . . . . . 0.495 ' O ' ' N ' ' A' ' 23' ' ' GLY . 36.7 t0 -79.8 73.86 6.52 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.186 -0.461 . . . . 7.47 110.575 -179.989 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -48.39 -20.88 0.45 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.18 -0.464 . . . . 27.75 110.69 -179.957 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 32.4 m-20 -96.63 -15.32 21.58 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.284 -0.416 . . . . 14.13 110.577 -179.984 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 23' ' ' GLY . . . . . 0.495 ' N ' ' O ' ' A' ' 20' ' ' ASP . . . 55.74 34.87 61.4 Favored Glycine 0 CA--C 1.525 0.702 0 N-CA-C 110.93 -0.868 . . . . 11.51 110.93 -179.956 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 54.0 m-20 -70.8 -18.99 62.73 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.817 0.342 . . . . 14.28 110.666 179.98 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 105.18 2.64 41.72 Favored Glycine 0 CA--C 1.524 0.646 0 N-CA-C 110.92 -0.872 . . . . 9.47 110.92 179.995 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 57.9 p -145.87 138.36 25.58 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.86 0.362 . . . . 16.41 110.552 -179.992 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 27' ' ' ILE . . . . . 0.439 HD13 HG21 ' A' ' 27' ' ' ILE . 88.3 mt -98.63 125.7 51.95 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.188 -0.46 . . . . 8.03 110.578 179.971 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 28' ' ' THR . . . . . 0.427 ' HG1' ' H ' ' A' ' 31' ' ' GLU . 11.8 p -100.45 175.35 5.72 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.177 -0.465 . . . . 7.8 110.58 -179.94 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 8.3 m -78.34 -37.99 43.19 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.174 -0.466 . . . . 10.04 110.541 -179.94 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 23.3 tttp -65.24 -32.2 73.75 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.246 -0.434 . . . . 16.38 110.603 -179.917 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 31' ' ' GLU . . . . . 0.427 ' H ' ' HG1' ' A' ' 28' ' ' THR . 4.9 mt-10 -78.48 -31.41 47.8 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.221 -0.445 . . . . 5.59 110.501 -179.95 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 1.8 tp -64.15 -59.85 3.93 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.182 -0.463 . . . . 7.72 110.521 -179.993 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -44.58 -43.4 7.84 Favored Glycine 0 CA--C 1.525 0.683 0 N-CA-C 110.887 -0.885 . . . . 6.93 110.887 -179.995 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 6.7 m -52.2 -36.7 52.76 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.738 0.304 . . . . 9.63 110.478 179.986 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 35' ' ' VAL . . . . . 0.572 ' O ' ' OG ' ' A' ' 38' ' ' SER . 61.3 t -60.19 -55.81 21.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.243 -0.435 . . . . 7.07 110.574 179.977 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 36' ' ' MET . . . . . 0.44 ' CG ' ' NE2' ' A' ' 41' ' ' GLN . 0.0 OUTLIER -59.31 -34.08 71.88 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.225 -0.443 . . . . 10.12 110.508 179.96 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 37' ' ' ARG . . . . . 0.441 ' NH2' ' HG2' ' A' ' 37' ' ' ARG . 29.5 ttt-85 -55.16 -31.24 61.2 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.208 -0.451 . . . . 9.87 110.537 179.999 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 38' ' ' SER . . . . . 0.572 ' OG ' ' O ' ' A' ' 35' ' ' VAL . 53.4 p -80.57 -18.22 49.01 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.213 -0.449 . . . . 8.15 110.505 179.912 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 85.8 mt -90.45 12.41 18.64 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.171 -0.468 . . . . 12.78 110.515 -179.995 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 64.33 27.13 71.2 Favored Glycine 0 CA--C 1.525 0.69 0 N-CA-C 110.911 -0.875 . . . . 9.6 110.911 179.984 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 41' ' ' GLN . . . . . 0.44 ' NE2' ' CG ' ' A' ' 36' ' ' MET . 1.6 tt0 -102.96 155.58 18.26 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.84 0.352 . . . . 20.35 110.621 -179.976 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 42' ' ' ASN . . . . . 0.418 ' ND2' ' N ' ' A' ' 42' ' ' ASN . 0.0 OUTLIER -131.17 80.09 69.35 Favored Pre-proline 0 C--N 1.328 -0.332 0 CA-C-N 116.193 -0.458 . . . . 10.22 110.487 179.976 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 59.2 Cg_endo -77.71 153.51 29.98 Favored 'Trans proline' 0 C--N 1.306 -1.659 0 C-N-CA 122.777 2.318 . . . . 8.63 112.254 -179.801 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 34.4 p -84.48 151.54 24.55 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.073 -0.512 . . . . 4.83 110.588 179.943 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 16.5 mt-10 -53.08 -31.43 41.75 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.223 -0.444 . . . . 16.78 110.578 -179.998 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -75.38 -43.31 50.89 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.173 -0.467 . . . . 4.8 110.546 -179.984 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 14.2 mm-40 -54.83 -60.86 2.78 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.193 -0.458 . . . . 6.18 110.49 -179.965 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 3.2 tp -52.37 -48.84 65.34 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.229 -0.442 . . . . 6.65 110.576 179.983 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 2.1 tt0 -54.48 -46.59 73.43 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.169 -0.468 . . . . 7.05 110.537 179.971 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 6.7 m-20 -66.49 -26.05 66.99 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.22 -0.446 . . . . 6.72 110.577 179.979 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 51' ' ' MET . . . . . 0.571 ' SD ' ' C ' ' A' ' 51' ' ' MET . 0.1 OUTLIER -70.18 -56.92 5.62 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.161 -0.472 . . . . 13.6 110.555 179.949 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 3.9 mm -49.02 -42.31 14.32 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.193 -0.458 . . . . 8.71 110.514 -179.996 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -50.98 -46.85 61.45 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.253 -0.431 . . . . 9.04 110.507 179.962 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 2.7 tt0 -51.2 -37.39 46.42 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.217 -0.447 . . . . 23.58 110.576 -179.982 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 21.6 t -91.02 -17.49 7.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.18 -0.464 . . . . 7.6 110.589 179.99 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 56' ' ' ASP . . . . . 0.521 ' OD1' ' O ' ' A' ' 62' ' ' THR . 1.4 t70 -100.69 84.6 2.76 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.168 -0.469 . . . . 12.55 110.559 179.99 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -78.2 -28.76 48.1 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.166 -0.47 . . . . 15.13 110.603 179.99 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 58' ' ' ASP . . . . . 0.466 ' OD2' ' OE2' ' A' ' 67' ' ' GLU . 1.1 m-20 -85.34 -10.61 56.14 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.213 -0.449 . . . . 14.32 110.509 -179.978 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 59.14 35.06 82.51 Favored Glycine 0 CA--C 1.524 0.62 0 N-CA-C 110.951 -0.86 . . . . 13.64 110.951 -179.965 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 60' ' ' ASP . . . . . 0.524 ' OD2' ' OG1' ' A' ' 62' ' ' THR . 12.3 p-10 -83.69 -15.45 48.71 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.826 0.346 . . . . 13.27 110.535 -179.955 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 90.96 13.22 59.38 Favored Glycine 0 CA--C 1.525 0.678 0 N-CA-C 110.925 -0.87 . . . . 11.65 110.925 179.971 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 62' ' ' THR . . . . . 0.524 ' OG1' ' OD2' ' A' ' 60' ' ' ASP . 3.2 p -152.71 165.23 35.95 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.789 0.328 . . . . 11.55 110.569 -179.954 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 63' ' ' ILE . . . . . . . . . . . . . 68.2 mt -115.75 141.41 33.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.175 -0.466 . . . . 10.06 110.539 -179.959 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 64' ' ' ASP . . . . . 0.506 ' OD1' ' OE1' ' A' ' 67' ' ' GLU . 7.3 m-20 -106.87 -174.53 2.56 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.202 -0.454 . . . . 11.33 110.635 -179.885 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 65' ' ' PHE . . . . . 0.505 ' N ' ' HD2' ' A' ' 66' ' ' PRO . 0.1 OUTLIER -74.73 -49.48 4.63 Favored Pre-proline 0 C--N 1.33 -0.254 0 CA-C-N 116.163 -0.471 . . . . 7.4 111.171 -179.912 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 66' ' ' PRO . . . . . 0.505 ' HD2' ' N ' ' A' ' 65' ' ' PHE . 46.7 Cg_endo -73.9 -16.93 22.97 Favored 'Trans proline' 0 C--N 1.309 -1.507 0 C-N-CA 122.251 1.968 . . . . 6.66 112.051 -179.79 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 67' ' ' GLU . . . . . 0.506 ' OE1' ' OD1' ' A' ' 64' ' ' ASP . 43.5 mt-10 -91.66 -24.74 19.42 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.121 -0.49 . . . . 7.44 110.363 179.782 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 68' ' ' PHE . . . . . . . . . . . . . 10.8 t80 -82.83 -28.45 30.16 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.101 -0.499 . . . . 8.58 110.713 -179.949 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 69' ' ' LEU . . . . . 0.445 ' O ' ' N ' ' A' ' 73' ' ' ALA . 0.7 OUTLIER -83.95 -36.94 22.89 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.289 -0.414 . . . . 9.43 110.354 179.537 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 70' ' ' THR . . . . . 0.456 ' O ' ' N ' ' A' ' 74' ' ' ARG . 0.1 OUTLIER -54.96 -57.86 9.96 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.061 -0.518 . . . . 7.53 110.593 -179.983 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 71' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -47.86 -37.42 13.9 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.195 -0.457 . . . . 11.86 110.446 -179.973 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 72' ' ' MET . . . . . . . . . . . . . 2.0 mmt -83.19 -34.92 25.83 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.179 -0.464 . . . . 22.32 110.645 179.994 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 73' ' ' ALA . . . . . 0.445 ' N ' ' O ' ' A' ' 69' ' ' LEU . . . -75.45 -56.45 4.69 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.244 -0.435 . . . . 9.15 110.655 -179.979 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 74' ' ' ARG . . . . . 0.513 ' CG ' ' N ' ' A' ' 75' ' ' LYS . 8.6 ptm180 -45.26 -44.0 10.9 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.218 -0.446 . . . . 13.8 110.516 -179.997 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 75' ' ' LYS . . . . . 0.513 ' N ' ' CG ' ' A' ' 74' ' ' ARG . 21.3 mttt -51.63 -45.49 63.32 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.198 -0.455 . . . . 25.18 110.54 179.998 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 76' ' ' MET . . . . . . . . . . . . . 6.2 tpt -53.94 -38.34 64.81 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.245 -0.434 . . . . 34.79 110.583 179.942 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 77' ' ' LYS . . . . . 0.563 ' O ' ' OD1' ' A' ' 78' ' ' ASP . 21.6 tttt -95.76 40.0 1.12 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.195 -0.457 . . . . 37.65 110.584 -179.972 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 78' ' ' ASP . . . . . 0.563 ' OD1' ' O ' ' A' ' 77' ' ' LYS . 1.2 m-20 -155.94 -177.36 6.51 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.222 -0.445 . . . . 42.58 110.548 -179.971 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -72.18 161.37 30.97 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.194 -0.457 . . . . 38.4 110.515 179.955 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 22.3 t70 -122.0 146.76 46.85 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.189 -0.459 . . . . 37.51 110.575 179.993 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 58.6 m -111.81 121.18 44.37 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.147 -0.479 . . . . 33.12 110.577 -179.979 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 82' ' ' GLU . . . . . 0.652 ' N ' ' OE2' ' A' ' 82' ' ' GLU . 1.0 OUTLIER -66.92 -10.32 47.54 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.231 -0.441 . . . . 34.28 110.573 -179.992 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 34.9 mt-10 -57.31 -34.18 68.46 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.226 -0.443 . . . . 30.91 110.591 -179.997 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -83.07 -45.34 14.13 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.219 -0.446 . . . . 22.86 110.598 -179.971 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 85' ' ' ILE . . . . . . . . . . . . . 86.0 mt -50.77 -33.89 12.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.189 -0.46 . . . . 19.17 110.659 -179.965 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 86' ' ' ARG . . . . . 0.453 ' HG3' ' N ' ' A' ' 87' ' ' GLU . 4.5 ptm180 -83.5 -53.36 5.75 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.223 -0.444 . . . . 26.85 110.616 -179.985 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 87' ' ' GLU . . . . . 0.504 ' O ' ' CG2' ' A' ' 91' ' ' VAL . 3.2 tt0 -58.29 -40.01 80.84 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.212 -0.449 . . . . 16.48 110.656 -179.94 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -71.98 -30.08 64.9 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.23 -0.441 . . . . 9.91 110.678 -179.958 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 89' ' ' PHE . . . . . 0.432 ' C ' ' CD2' ' A' ' 89' ' ' PHE . 23.5 t80 -73.63 -45.54 52.24 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.239 -0.437 . . . . 8.53 110.633 -179.969 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 8.5 ptt180 -73.34 -18.85 61.14 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.239 -0.437 . . . . 17.58 110.517 -179.948 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 91' ' ' VAL . . . . . 0.504 ' CG2' ' O ' ' A' ' 87' ' ' GLU . 4.6 t -65.29 -27.09 41.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.161 -0.472 . . . . 7.82 110.596 -179.971 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 92' ' ' PHE . . . . . . . . . . . . . 8.9 m-85 -95.32 -50.51 4.99 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.264 -0.425 . . . . 9.11 110.721 -179.95 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 93' ' ' ASP . . . . . 0.638 ' OD2' ' ND2' ' A' ' 97' ' ' ASN . 16.2 t0 -68.96 68.82 0.17 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.222 -0.444 . . . . 11.11 110.622 -179.923 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -48.77 -18.56 0.28 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.184 -0.462 . . . . 14.57 111.165 -179.659 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 95' ' ' ASP . . . . . 0.496 ' CB ' ' ND2' ' A' ' 97' ' ' ASN . 5.5 m-20 -77.56 -12.53 59.97 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-O 120.867 0.365 . . . . 10.2 110.647 -179.857 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 96' ' ' GLY . . . . . 0.425 ' C ' ' H ' ' A' ' 98' ' ' GLY . . . 60.12 9.66 12.1 Favored Glycine 0 CA--C 1.524 0.652 0 N-CA-C 111.048 -0.821 . . . . 6.24 111.048 -179.953 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 97' ' ' ASN . . . . . 0.794 HD21 ' H ' ' A' ' 97' ' ' ASN . 0.2 OUTLIER -69.68 2.32 3.38 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.886 0.374 . . . . 7.56 110.436 179.841 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 98' ' ' GLY . . . . . 0.455 ' C ' ' CD2' ' A' ' 99' ' ' TYR . . . 64.88 10.92 48.5 Favored Glycine 0 CA--C 1.524 0.622 0 N-CA-C 111.012 -0.835 . . . . 7.08 111.012 179.982 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 99' ' ' TYR . . . . . 0.664 ' CE1' ' O ' ' A' ' 97' ' ' ASN . 2.0 m-85 -130.31 136.59 49.3 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.81 0.338 . . . . 9.0 110.572 179.94 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 28.5 mt -116.18 107.46 22.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.17 -0.468 . . . . 9.29 110.554 -179.991 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -87.94 151.69 22.62 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.261 -0.427 . . . . 7.02 110.655 -179.88 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -50.99 -24.17 3.49 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.137 -0.483 . . . . 6.41 110.677 -179.947 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -64.14 -60.02 3.73 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.193 -0.458 . . . . 5.01 110.612 -179.892 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 104' ' ' GLU . . . . . 0.577 ' OE1' ' OD1' ' A' ' 93' ' ' ASP . 4.8 pt-20 -69.77 -24.8 63.56 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.19 -0.459 . . . . 6.84 110.649 -179.938 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 105' ' ' LEU . . . . . . . . . . . . . 26.9 tp -63.74 -48.53 76.65 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.25 -0.432 . . . . 4.99 110.443 179.949 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 106' ' ' ARG . . . . . 0.573 ' O ' ' OG1' ' A' ' 110' ' ' THR . 1.3 ttm180 -71.56 -15.86 62.29 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.201 -0.454 . . . . 15.24 110.551 -179.981 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 107' ' ' HIS . . . . . . . . . . . . . 84.4 t60 -72.58 -36.64 68.21 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.184 -0.462 . . . . 15.69 110.622 -179.941 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 108' ' ' VAL . . . . . . . . . . . . . 7.1 t -76.95 -62.67 1.27 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.225 -0.443 . . . . 12.28 110.586 -179.964 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 109' ' ' MET . . . . . 0.578 ' O ' ' O ' ' A' ' 114' ' ' GLU . 2.9 mmt -52.34 -25.77 10.54 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.215 -0.448 . . . . 9.53 110.673 -179.898 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 110' ' ' THR . . . . . 0.573 ' OG1' ' O ' ' A' ' 106' ' ' ARG . 3.9 m -73.69 -51.38 16.85 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.276 -0.42 . . . . 11.87 110.903 -179.781 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 111' ' ' ASN . . . . . 0.503 ' OD1' ' N ' ' A' ' 112' ' ' LEU . 20.7 p30 -78.78 -22.66 46.02 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.396 -0.365 . . . . 21.65 110.807 -179.806 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 112' ' ' LEU . . . . . 0.503 ' N ' ' OD1' ' A' ' 111' ' ' ASN . 4.8 tp -50.07 -15.38 0.21 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.298 -0.41 . . . . 19.55 110.558 -179.926 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 113' ' ' GLY . . . . . 0.419 ' N ' ' C ' ' A' ' 111' ' ' ASN . . . 115.17 -3.79 22.25 Favored Glycine 0 CA--C 1.524 0.639 0 N-CA-C 110.919 -0.872 . . . . 19.66 110.919 179.984 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 114' ' ' GLU . . . . . 0.578 ' O ' ' O ' ' A' ' 109' ' ' MET . 1.4 tm-20 -124.21 120.08 31.23 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.788 0.328 . . . . 25.55 110.5 179.883 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 13.1 mmtp -78.78 117.5 19.96 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.318 -0.401 . . . . 23.26 110.535 -179.892 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 116' ' ' LEU . . . . . 0.667 ' CD2' ' N ' ' A' ' 116' ' ' LEU . 1.6 mm? -85.37 154.35 21.92 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.166 -0.47 . . . . 23.07 110.545 -179.972 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 117' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -91.94 148.76 21.96 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.221 -0.445 . . . . 19.41 110.57 179.988 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 118' ' ' ASP . . . . . 0.562 ' O ' ' OD1' ' A' ' 122' ' ' ASP . 1.0 OUTLIER -50.46 -38.76 45.46 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.185 -0.462 . . . . 18.08 110.498 -179.986 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 119' ' ' GLU . . . . . 0.585 ' OE1' ' N ' ' A' ' 119' ' ' GLU . 1.7 mp0 -75.85 -44.33 41.36 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.177 -0.465 . . . . 20.16 110.535 -179.97 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 120' ' ' GLU . . . . . . . . . . . . . 4.2 mm-40 -45.49 -56.29 5.23 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.233 -0.439 . . . . 14.19 110.531 -180.0 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 121' ' ' VAL . . . . . 0.411 ' C ' ' N ' ' A' ' 123' ' ' GLU . 14.7 t -65.65 -62.08 1.4 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.21 -0.45 . . . . 14.97 110.61 -180.0 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 122' ' ' ASP . . . . . 0.562 ' OD1' ' O ' ' A' ' 118' ' ' ASP . 3.6 m-20 -45.38 -22.73 0.15 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.188 -0.46 . . . . 20.12 110.608 179.941 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 123' ' ' GLU . . . . . 0.411 ' N ' ' C ' ' A' ' 121' ' ' VAL . 17.0 tp10 -75.87 -54.86 6.25 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.195 -0.457 . . . . 15.72 110.578 179.961 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 124' ' ' MET . . . . . . . . . . . . . 6.4 tpt -55.71 -55.36 33.16 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.212 -0.449 . . . . 9.75 110.54 -179.978 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 125' ' ' ILE . . . . . 0.441 ' O ' ' N ' ' A' ' 129' ' ' ASP . 26.6 mm -44.64 -55.8 0.95 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.205 -0.452 . . . . 11.99 110.546 -179.998 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 126' ' ' ARG . . . . . . . . . . . . . 8.2 ttt-85 -43.63 -35.38 1.75 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.196 -0.457 . . . . 27.23 110.58 179.972 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 127' ' ' GLU . . . . . . . . . . . . . 2.6 tm-20 -74.33 -54.57 7.39 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.197 -0.456 . . . . 15.5 110.582 179.997 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 128' ' ' ALA . . . . . 0.448 ' O ' ' OE1' ' A' ' 140' ' ' GLU . . . -65.83 -21.1 66.45 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.207 -0.452 . . . . 10.5 110.559 179.963 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 129' ' ' ASP . . . . . 0.441 ' N ' ' O ' ' A' ' 125' ' ' ILE . 0.6 OUTLIER -60.88 111.94 1.86 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.169 -0.469 . . . . 10.86 110.528 179.992 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 130' ' ' ILE . . . . . . . . . . . . . 3.1 mt -79.64 -50.31 18.17 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.258 -0.428 . . . . 12.26 110.572 179.812 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 131' ' ' ASP . . . . . 0.439 ' OD2' ' N ' ' A' ' 131' ' ' ASP . 0.0 OUTLIER -110.64 11.07 22.85 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.146 -0.479 . . . . 7.79 110.66 179.952 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 132' ' ' GLY . . . . . . . . . . . . . . . 64.94 54.14 29.82 Favored Glycine 0 CA--C 1.525 0.674 0 N-CA-C 110.873 -0.891 . . . . 3.93 110.873 -179.94 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 133' ' ' ASP . . . . . . . . . . . . . 2.3 m-20 -100.99 -30.21 11.76 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.739 0.304 . . . . 9.56 110.631 -179.97 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 134' ' ' GLY . . . . . . . . . . . . . . . 105.08 4.96 41.32 Favored Glycine 0 CA--C 1.525 0.681 0 N-CA-C 110.996 -0.842 . . . . 7.32 110.996 -179.955 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 135' ' ' GLN . . . . . . . . . . . . . 1.5 mt-30 -129.31 155.18 46.02 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.68 0.276 . . . . 22.05 110.486 179.967 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 136' ' ' VAL . . . . . . . . . . . . . 46.0 t -111.27 135.0 51.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.336 -0.393 . . . . 10.34 110.626 -179.916 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 137' ' ' ASN . . . . . 0.622 ' H ' ' CD ' ' A' ' 140' ' ' GLU . 0.2 OUTLIER -109.81 159.55 17.11 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.058 -0.519 . . . . 12.02 110.315 179.681 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 138' ' ' TYR . . . . . 0.529 ' CD2' ' C ' ' A' ' 138' ' ' TYR . 7.7 t80 -54.19 -30.87 51.28 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.829 0.347 . . . . 8.75 110.503 179.949 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 139' ' ' GLU . . . . . 0.485 ' OE2' ' CG ' ' A' ' 143' ' ' GLN . 1.5 tm-20 -66.23 -39.85 89.84 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.172 -0.467 . . . . 22.33 110.486 179.92 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 140' ' ' GLU . . . . . 0.622 ' CD ' ' H ' ' A' ' 137' ' ' ASN . 4.7 mt-10 -61.91 -43.33 99.06 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.206 -0.452 . . . . 13.45 110.441 -179.993 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 141' ' ' PHE . . . . . . . . . . . . . 0.6 OUTLIER -50.12 -42.02 49.79 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.22 -0.445 . . . . 8.25 110.483 179.954 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 142' ' ' VAL . . . . . . . . . . . . . 70.7 t -67.67 -38.2 79.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.155 -0.475 . . . . 10.15 110.558 179.971 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 143' ' ' GLN . . . . . 0.569 ' O ' ' OG1' ' A' ' 146' ' ' THR . 22.3 mm100 -52.32 -52.64 51.95 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.224 -0.443 . . . . 8.24 110.525 179.947 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 144' ' ' MET . . . . . . . . . . . . . 2.5 ttp -49.43 -40.58 37.15 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.192 -0.458 . . . . 6.68 110.572 -179.997 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 145' ' ' MET . . . . . 0.561 ' CG ' ' O ' ' A' ' 145' ' ' MET . 0.8 OUTLIER -64.92 -3.9 3.94 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.183 -0.462 . . . . 13.37 110.523 179.977 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 146' ' ' THR . . . . . 0.569 ' OG1' ' O ' ' A' ' 143' ' ' GLN . 29.8 p -111.44 -25.62 9.52 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.19 -0.459 . . . . 10.78 110.536 179.98 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 147' ' ' ALA . . . . . . . . . . . . . . . -70.21 129.19 38.69 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.184 -0.462 . . . . 18.52 110.563 -179.962 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 148' ' ' LYS . . . . . . . . . . . . . 25.7 mttm . . . . . 0 C--O 1.22 -0.493 0 CA-C-O 117.966 -1.016 . . . . 23.42 110.573 -179.989 . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 401' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 402' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 403' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 404' ' ' ' TB' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 2.9 mm100 . . . . . 0 C--O 1.231 0.086 0 CA-C-O 120.81 0.338 . . . . 23.46 110.542 . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 5.2 tp -74.18 131.54 41.36 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.185 -0.462 . . . . 14.38 110.581 -179.987 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 5' ' ' THR . . . . . 0.416 ' OG1' ' NE2' ' A' ' 8' ' ' GLN . 2.3 p -74.3 147.64 42.13 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.214 -0.448 . . . . 7.34 110.545 -179.979 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 6' ' ' GLU . . . . . 0.544 ' CD ' ' H ' ' A' ' 6' ' ' GLU . 3.8 mp0 -54.69 -43.74 72.76 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.169 -0.469 . . . . 7.12 110.585 179.969 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 5.0 mt-10 -54.61 -34.76 62.55 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.196 -0.456 . . . . 6.85 110.555 -179.981 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 8' ' ' GLN . . . . . 0.463 ' OE1' ' N ' ' A' ' 8' ' ' GLN . 1.0 OUTLIER -79.09 -42.46 26.3 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.155 -0.475 . . . . 15.1 110.579 179.986 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 9' ' ' ILE . . . . . 0.474 HD12 HG21 ' A' ' 9' ' ' ILE . 92.0 mt -62.51 -35.31 69.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.214 -0.448 . . . . 4.72 110.544 -179.925 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -63.21 -59.52 4.64 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.23 -0.441 . . . . 6.68 110.573 -179.902 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 38.0 mt-10 -46.86 -30.22 2.39 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.19 -0.459 . . . . 18.49 110.63 -179.994 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 4.9 m-85 -70.54 -44.59 67.18 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.233 -0.439 . . . . 14.89 110.611 -179.979 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 3.3 mtpt -46.82 -36.53 7.51 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.213 -0.449 . . . . 18.39 110.572 -179.975 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 48.6 tt0 -67.13 -38.3 85.34 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.223 -0.444 . . . . 22.76 110.527 179.994 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -55.24 -58.2 8.67 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.226 -0.443 . . . . 5.67 110.559 179.977 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 16' ' ' PHE . . . . . 0.451 ' CE2' ' HB2' ' A' ' 20' ' ' ASP . 1.8 t80 -45.29 -56.77 4.54 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.197 -0.456 . . . . 13.28 110.526 179.95 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -47.8 -21.44 0.4 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.185 -0.461 . . . . 12.16 110.554 179.923 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 11.5 tp -78.28 -37.97 43.73 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.158 -0.474 . . . . 17.89 110.569 -179.998 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 25.8 m-85 -90.07 -50.36 6.05 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.265 -0.425 . . . . 9.14 110.609 179.975 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 20' ' ' ASP . . . . . 0.451 ' HB2' ' CE2' ' A' ' 16' ' ' PHE . 7.7 t70 -83.68 79.82 9.33 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.209 -0.451 . . . . 7.47 110.571 -179.977 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 1.9 ptmm? -77.11 -19.61 56.74 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.167 -0.47 . . . . 27.75 110.648 -179.956 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 2.4 p30 -81.27 -15.3 55.92 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.24 -0.437 . . . . 14.13 110.661 -179.884 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 60.67 40.47 98.03 Favored Glycine 0 CA--C 1.525 0.699 0 N-CA-C 110.968 -0.853 . . . . 11.51 110.968 -179.993 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 24' ' ' ASP . . . . . 0.529 ' OD2' ' O ' ' A' ' 24' ' ' ASP . 1.8 t0 -86.57 -26.69 24.36 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 120.759 0.314 . . . . 14.28 110.622 -179.972 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 105.13 -3.92 41.07 Favored Glycine 0 CA--C 1.525 0.688 0 N-CA-C 110.893 -0.883 . . . . 9.47 110.893 -179.994 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 2.5 p -146.23 142.47 28.41 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.802 0.334 . . . . 16.41 110.538 179.958 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 27' ' ' ILE . . . . . 0.435 ' H ' ' HB ' ' A' ' 63' ' ' ILE . 35.4 mt -104.78 130.07 56.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.184 -0.462 . . . . 8.03 110.612 179.997 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 69.5 p -99.24 175.27 5.94 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.196 -0.456 . . . . 7.8 110.555 -179.946 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 29' ' ' THR . . . . . 0.404 ' CG2' HG13 ' A' ' 52' ' ' ILE . 9.0 m -77.21 -46.11 24.33 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.215 -0.448 . . . . 10.04 110.596 179.988 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 15.7 tptp -54.24 -30.84 51.69 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.18 -0.464 . . . . 16.38 110.555 -179.918 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 56.8 mt-10 -85.32 -32.67 22.36 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.225 -0.443 . . . . 5.59 110.55 179.972 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 1.1 tt -65.39 -59.84 3.6 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.188 -0.46 . . . . 7.72 110.599 -179.949 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -50.31 -52.77 26.62 Favored Glycine 0 CA--C 1.525 0.656 0 N-CA-C 110.993 -0.843 . . . . 6.93 110.993 179.992 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 22.5 m -44.51 -36.04 2.78 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.82 0.343 . . . . 9.63 110.593 179.965 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 58.8 t -69.4 -42.75 81.18 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.2 -0.454 . . . . 7.07 110.62 -179.965 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 36' ' ' MET . . . . . 0.492 ' O ' ' N ' ' A' ' 39' ' ' LEU . 0.0 OUTLIER -71.83 -54.05 11.37 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.2 -0.455 . . . . 10.12 110.54 179.976 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 7.3 ttp180 -47.99 -29.76 3.73 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.162 -0.472 . . . . 9.87 110.548 -179.965 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -84.62 -19.42 33.0 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.224 -0.443 . . . . 8.15 110.542 -179.987 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 39' ' ' LEU . . . . . 0.492 ' N ' ' O ' ' A' ' 36' ' ' MET . 14.2 mt -81.7 10.94 5.28 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.193 -0.458 . . . . 12.78 110.583 179.981 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 82.63 -0.16 89.56 Favored Glycine 0 CA--C 1.525 0.682 0 N-CA-C 110.94 -0.864 . . . . 9.6 110.94 179.991 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 3.9 tt0 -90.62 152.51 20.84 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.822 0.344 . . . . 20.35 110.582 -179.963 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 10.5 m120 -126.57 80.07 70.41 Favored Pre-proline 0 C--N 1.33 -0.265 0 CA-C-N 116.156 -0.474 . . . . 10.22 110.487 179.981 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 60.6 Cg_endo -78.32 137.63 15.18 Favored 'Trans proline' 0 C--N 1.306 -1.699 0 C-N-CA 122.822 2.348 . . . . 8.63 112.2 -179.901 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -80.02 168.98 18.49 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.105 -0.498 . . . . 4.83 110.546 179.946 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 37.3 mt-10 -60.47 -36.93 79.45 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.271 -0.422 . . . . 16.78 110.514 179.983 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -67.65 -23.07 65.3 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.216 -0.447 . . . . 4.8 110.525 -179.989 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 26.9 mt-10 -74.71 -57.94 3.6 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.204 -0.453 . . . . 6.18 110.534 -179.994 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 3.7 mm? -51.37 -54.2 28.82 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.185 -0.462 . . . . 6.65 110.559 -179.999 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 26.3 mt-30 -52.82 -34.92 56.14 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.194 -0.457 . . . . 7.05 110.503 179.924 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 68.9 m-20 -73.22 -31.22 64.03 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.181 -0.463 . . . . 6.72 110.501 179.992 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 51' ' ' MET . . . . . 0.416 ' O ' ' CG2' ' A' ' 55' ' ' VAL . 5.5 tpt -78.08 -61.21 2.07 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.202 -0.454 . . . . 13.6 110.543 -179.99 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 52' ' ' ILE . . . . . 0.404 HG13 ' CG2' ' A' ' 29' ' ' THR . 6.1 mm -49.34 -52.25 11.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.168 -0.469 . . . . 8.71 110.533 179.971 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 14.0 t30 -57.33 -41.25 79.61 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.286 -0.416 . . . . 9.04 110.548 179.972 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 3.7 mm-40 -58.37 -49.84 75.79 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.179 -0.464 . . . . 23.58 110.744 -179.835 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 55' ' ' VAL . . . . . 0.416 ' CG2' ' O ' ' A' ' 51' ' ' MET . 0.0 OUTLIER -80.67 -0.31 4.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.268 -0.423 . . . . 7.6 110.695 -179.891 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 36.2 t0 -107.65 110.01 21.77 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.241 -0.436 . . . . 12.55 110.52 179.983 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -82.76 -44.65 15.34 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.146 -0.479 . . . . 15.13 110.58 -179.991 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 16.2 m-20 -76.65 -10.81 59.65 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.25 -0.432 . . . . 14.32 110.576 179.984 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 53.9 21.28 16.06 Favored Glycine 0 CA--C 1.524 0.645 0 N-CA-C 110.962 -0.855 . . . . 13.64 110.962 -179.972 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 60' ' ' ASP . . . . . 0.587 ' OD2' ' N ' ' A' ' 60' ' ' ASP . 7.6 p-10 -73.55 -20.76 60.55 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-O 120.839 0.352 . . . . 13.27 110.594 179.98 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 104.97 29.64 5.13 Favored Glycine 0 CA--C 1.524 0.638 0 N-CA-C 110.914 -0.875 . . . . 11.65 110.914 179.968 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 62' ' ' THR . . . . . 0.444 ' OG1' ' OD1' ' A' ' 60' ' ' ASP . 0.1 OUTLIER -149.21 150.73 33.09 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.826 0.346 . . . . 11.55 110.559 179.992 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 63' ' ' ILE . . . . . 0.435 ' HB ' ' H ' ' A' ' 27' ' ' ILE . 46.4 mm -101.47 137.28 29.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.181 -0.463 . . . . 10.06 110.532 -179.956 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 64' ' ' ASP . . . . . 0.542 ' CG ' ' OE2' ' A' ' 67' ' ' GLU . 0.8 OUTLIER -113.4 -173.3 2.24 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.275 -0.42 . . . . 11.33 110.634 -179.934 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 65' ' ' PHE . . . . . 0.514 ' N ' ' CD ' ' A' ' 66' ' ' PRO . 0.3 OUTLIER -85.17 -46.72 0.64 Allowed Pre-proline 0 C--N 1.33 -0.244 0 CA-C-N 116.278 -0.419 . . . . 7.4 111.428 -179.624 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 66' ' ' PRO . . . . . 0.541 ' O ' ' OG1' ' A' ' 70' ' ' THR . 56.1 Cg_endo -76.46 -24.77 10.29 Favored 'Trans proline' 0 C--N 1.31 -1.473 0 C-N-CA 122.295 1.997 . . . . 6.66 112.409 -179.466 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 67' ' ' GLU . . . . . 0.542 ' OE2' ' CG ' ' A' ' 64' ' ' ASP . 9.8 pt-20 -91.59 -19.68 22.47 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.392 -0.367 . . . . 7.44 110.453 179.896 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 68' ' ' PHE . . . . . 0.468 ' CB ' ' O ' ' A' ' 64' ' ' ASP . 36.0 t80 -82.9 -30.78 28.23 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.215 -0.448 . . . . 8.58 110.528 179.882 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 10.8 mt -83.73 -38.85 20.86 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.165 -0.47 . . . . 9.43 110.337 179.576 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 70' ' ' THR . . . . . 0.541 ' OG1' ' O ' ' A' ' 66' ' ' PRO . 31.8 m -57.32 -52.82 63.8 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.051 -0.522 . . . . 7.53 110.595 -179.977 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 71' ' ' MET . . . . . 0.567 ' C ' ' SD ' ' A' ' 71' ' ' MET . 0.1 OUTLIER -47.97 -49.58 30.17 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.205 -0.452 . . . . 11.86 110.551 179.963 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 72' ' ' MET . . . . . . . . . . . . . 3.0 mmt -72.38 -46.29 56.0 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.192 -0.458 . . . . 22.32 110.551 179.985 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -56.34 -53.45 57.22 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.214 -0.448 . . . . 9.15 110.601 179.989 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 53.7 ttp180 -45.28 -39.7 6.82 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.233 -0.439 . . . . 13.8 110.525 -179.979 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 75' ' ' LYS . . . . . 0.55 ' O ' ' OD1' ' A' ' 78' ' ' ASP . 0.6 OUTLIER -50.97 -45.09 60.77 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.202 -0.453 . . . . 25.18 110.542 179.947 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 76' ' ' MET . . . . . . . . . . . . . 12.7 mtt -66.58 -21.41 66.14 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.169 -0.469 . . . . 34.79 110.542 -179.965 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 19.6 tttm -107.24 38.61 2.08 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.174 -0.467 . . . . 37.65 110.595 179.996 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 78' ' ' ASP . . . . . 0.55 ' OD1' ' O ' ' A' ' 75' ' ' LYS . 2.0 p-10 -160.65 -174.85 4.65 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.197 -0.456 . . . . 42.58 110.566 -179.976 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 23.6 p -72.16 162.87 28.85 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.162 -0.472 . . . . 38.4 110.549 -179.977 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -124.78 149.36 47.45 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.241 -0.436 . . . . 37.51 110.622 179.949 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 4.9 p -117.08 132.23 56.73 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.225 -0.443 . . . . 33.12 110.595 -179.997 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -71.07 -10.31 59.54 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.231 -0.441 . . . . 34.28 110.586 179.974 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 46.4 mt-10 -60.14 -53.84 53.01 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.186 -0.461 . . . . 30.91 110.575 -179.997 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 24.1 tt0 -65.39 -46.11 81.39 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.186 -0.461 . . . . 22.86 110.601 -179.986 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 85' ' ' ILE . . . . . . . . . . . . . 52.1 mt -52.65 -24.3 6.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.206 -0.452 . . . . 19.17 110.556 179.992 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 4.1 mmm180 -79.25 -51.38 9.54 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.169 -0.469 . . . . 26.85 110.54 -179.983 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 67.7 mm-40 -56.47 -62.46 1.71 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.254 -0.43 . . . . 16.48 110.556 -180.0 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 88' ' ' ALA . . . . . 0.472 ' O ' ' CD2' ' A' ' 92' ' ' PHE . . . -48.12 -36.72 13.85 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.198 -0.456 . . . . 9.91 110.521 179.972 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 50.3 t80 -70.58 -57.56 4.61 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.19 -0.459 . . . . 8.53 110.488 -179.964 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 11.7 mmm180 -57.18 -18.57 16.13 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.16 -0.473 . . . . 17.58 110.587 179.925 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 91' ' ' VAL . . . . . . . . . . . . . 43.1 t -77.37 -17.87 14.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.155 -0.475 . . . . 7.82 110.658 -179.9 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 92' ' ' PHE . . . . . 0.472 ' CD2' ' O ' ' A' ' 88' ' ' ALA . 46.6 m-85 -95.36 -53.87 3.61 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.343 -0.39 . . . . 9.11 110.673 -179.882 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 93' ' ' ASP . . . . . 0.573 ' OD2' ' O ' ' A' ' 99' ' ' TYR . 3.3 t0 -76.24 68.74 2.69 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.267 -0.424 . . . . 11.11 110.703 -179.815 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 24.5 mtpp -50.17 -18.39 0.57 Allowed 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.194 -0.457 . . . . 14.57 110.968 -179.712 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -82.95 -15.4 51.44 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.879 0.371 . . . . 10.2 110.588 -179.935 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 60.4 42.04 98.77 Favored Glycine 0 CA--C 1.525 0.668 0 N-CA-C 110.977 -0.849 . . . . 6.24 110.977 -179.916 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 97' ' ' ASN . . . . . 0.549 ' CG ' ' CE2' ' A' ' 99' ' ' TYR . 0.2 OUTLIER -97.39 6.35 48.38 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.98 0.419 . . . . 7.56 110.374 179.847 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . 72.17 4.65 60.27 Favored Glycine 0 CA--C 1.524 0.646 0 N-CA-C 110.96 -0.856 . . . . 7.08 110.96 -179.976 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 99' ' ' TYR . . . . . 0.573 ' O ' ' OD2' ' A' ' 93' ' ' ASP . 11.8 p90 -154.46 150.23 27.62 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.851 0.357 . . . . 9.0 110.551 179.942 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 100' ' ' ILE . . . . . 0.413 HD12 ' N ' ' A' ' 100' ' ' ILE . 0.0 OUTLIER -119.66 128.36 75.89 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.199 -0.455 . . . . 9.29 110.561 -179.996 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 101' ' ' SER . . . . . 0.567 ' O ' ' N ' ' A' ' 104' ' ' GLU . 5.2 p -89.23 151.8 21.94 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.217 -0.447 . . . . 7.02 110.655 -179.976 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -42.85 -19.4 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.112 -0.494 . . . . 6.41 110.597 -179.935 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 103' ' ' ALA . . . . . 0.513 ' N ' ' O ' ' A' ' 101' ' ' SER . . . -83.43 -31.83 26.41 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.263 -0.426 . . . . 5.01 110.608 -179.977 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 104' ' ' GLU . . . . . 0.567 ' N ' ' O ' ' A' ' 101' ' ' SER . 32.2 mt-10 -85.31 -54.35 4.65 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.193 -0.458 . . . . 6.84 110.632 -179.957 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 105' ' ' LEU . . . . . . . . . . . . . 44.7 tp -50.16 -51.09 46.49 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.204 -0.453 . . . . 4.99 110.646 -179.945 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 106' ' ' ARG . . . . . 0.551 ' O ' ' OG1' ' A' ' 110' ' ' THR . 63.5 ttt-85 -65.94 -42.45 90.0 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.269 -0.423 . . . . 15.24 110.65 -179.965 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 107' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -51.24 -42.99 61.39 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.18 -0.464 . . . . 15.69 110.626 179.977 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 108' ' ' VAL . . . . . . . . . . . . . 39.2 t -78.12 -58.31 4.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.232 -0.44 . . . . 12.28 110.638 -179.98 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 109' ' ' MET . . . . . . . . . . . . . 14.6 mtp -58.87 -15.06 10.8 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.202 -0.454 . . . . 9.53 110.658 -179.931 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 110' ' ' THR . . . . . 0.551 ' OG1' ' O ' ' A' ' 106' ' ' ARG . 12.8 m -80.43 -44.86 18.58 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.229 -0.441 . . . . 11.87 110.636 -179.912 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 111' ' ' ASN . . . . . . . . . . . . . 44.3 t30 -72.31 -9.81 58.97 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.237 -0.438 . . . . 21.65 110.576 -179.951 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -50.43 -21.73 1.59 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.191 -0.458 . . . . 19.55 110.507 -179.975 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . 115.4 -0.82 22.18 Favored Glycine 0 CA--C 1.524 0.651 0 N-CA-C 110.839 -0.904 . . . . 19.66 110.839 -179.826 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 20.8 tt0 -124.73 132.5 53.37 Favored 'General case' 0 C--N 1.33 -0.282 0 N-CA-C 110.216 -0.29 . . . . 25.55 110.216 179.609 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 49.3 mtpt -81.64 116.66 21.48 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.805 0.336 . . . . 23.26 110.615 -179.951 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 116' ' ' LEU . . . . . . . . . . . . . 2.5 mt -105.94 132.81 51.58 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.158 -0.474 . . . . 23.07 110.508 179.96 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 117' ' ' THR . . . . . 0.555 ' OG1' ' OE2' ' A' ' 120' ' ' GLU . 35.4 p -69.26 148.7 49.43 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.172 -0.467 . . . . 19.41 110.593 -179.941 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 118' ' ' ASP . . . . . . . . . . . . . 27.2 t70 -65.74 -52.39 51.54 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.217 -0.447 . . . . 18.08 110.494 -179.964 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 119' ' ' GLU . . . . . 0.45 ' O ' ' CB ' ' A' ' 123' ' ' GLU . 23.7 tt0 -44.88 -24.33 0.2 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.229 -0.441 . . . . 20.16 110.509 179.997 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 120' ' ' GLU . . . . . 0.555 ' OE2' ' OG1' ' A' ' 117' ' ' THR . 59.4 mt-10 -85.24 -50.41 7.39 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.168 -0.469 . . . . 14.19 110.539 179.91 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 121' ' ' VAL . . . . . . . . . . . . . 58.9 t -67.38 -60.83 2.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.227 -0.442 . . . . 14.97 110.569 179.978 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 122' ' ' ASP . . . . . 0.402 ' OD2' ' C ' ' A' ' 122' ' ' ASP . 49.2 t0 -49.7 -53.78 22.63 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.233 -0.439 . . . . 20.12 110.564 179.966 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 123' ' ' GLU . . . . . 0.663 ' O ' ' N ' ' A' ' 127' ' ' GLU . 24.6 tt0 -54.69 -52.58 61.96 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.209 -0.45 . . . . 15.72 110.595 179.989 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 124' ' ' MET . . . . . 0.557 ' O ' ' N ' ' A' ' 128' ' ' ALA . 11.4 tpt -46.26 -60.45 2.31 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.194 -0.457 . . . . 9.75 110.582 179.978 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 125' ' ' ILE . . . . . . . . . . . . . 92.7 mt -50.96 -53.14 15.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.206 -0.452 . . . . 11.99 110.546 -179.976 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 126' ' ' ARG . . . . . . . . . . . . . 2.9 tpt180 -71.13 -20.08 62.36 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.228 -0.442 . . . . 27.23 110.511 179.928 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 127' ' ' GLU . . . . . 0.663 ' N ' ' O ' ' A' ' 123' ' ' GLU . 1.6 tt0 -90.13 -21.89 22.02 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.127 -0.488 . . . . 15.5 110.515 -179.986 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 128' ' ' ALA . . . . . 0.557 ' N ' ' O ' ' A' ' 124' ' ' MET . . . -100.36 -34.5 9.95 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.148 -0.478 . . . . 10.5 110.512 179.871 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 129' ' ' ASP . . . . . 0.573 ' OD1' ' OE2' ' A' ' 140' ' ' GLU . 43.4 m-20 -60.79 98.94 0.08 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.155 -0.475 . . . . 10.86 110.646 -179.986 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 130' ' ' ILE . . . . . 0.531 ' CD1' ' OE1' ' A' ' 143' ' ' GLN . 1.4 mp -48.25 -26.35 1.29 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.351 0 CA-C-N 116.187 -0.46 . . . . 12.26 110.755 -179.684 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 131' ' ' ASP . . . . . 0.483 ' OD1' ' N ' ' A' ' 131' ' ' ASP . 2.5 p30 -104.21 -18.43 14.49 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.845 0.355 . . . . 7.79 110.559 179.915 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 132' ' ' GLY . . . . . 0.468 ' H ' ' HB3' ' A' ' 129' ' ' ASP . . . 64.11 67.49 2.03 Favored Glycine 0 CA--C 1.525 0.696 0 N-CA-C 110.926 -0.87 . . . . 3.93 110.926 179.991 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 133' ' ' ASP . . . . . . . . . . . . . 69.3 m-20 -100.94 3.16 41.44 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.731 0.3 . . . . 9.56 110.618 -179.924 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 134' ' ' GLY . . . . . . . . . . . . . . . 79.45 2.09 87.23 Favored Glycine 0 CA--C 1.525 0.659 0 N-CA-C 110.987 -0.845 . . . . 7.32 110.987 179.998 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 135' ' ' GLN . . . . . 0.572 ' O ' ' OD2' ' A' ' 129' ' ' ASP . 0.0 OUTLIER -149.22 167.31 26.36 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.777 0.323 . . . . 22.05 110.468 -179.99 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 136' ' ' VAL . . . . . . . . . . . . . 31.4 t -109.61 134.66 50.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.244 -0.434 . . . . 10.34 110.539 -179.983 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 137' ' ' ASN . . . . . 0.489 ' OD1' ' NE2' ' A' ' 135' ' ' GLN . 92.0 m-20 -109.91 159.49 17.2 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.195 -0.457 . . . . 12.02 110.361 179.63 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 138' ' ' TYR . . . . . . . . . . . . . 82.3 t80 -54.79 -36.43 64.91 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.418 -0.355 . . . . 8.75 110.472 179.953 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 139' ' ' GLU . . . . . . . . . . . . . 29.2 tt0 -61.07 -42.0 97.68 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.205 -0.452 . . . . 22.33 110.49 179.939 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 140' ' ' GLU . . . . . 0.573 ' OE2' ' OD1' ' A' ' 129' ' ' ASP . 83.6 mt-10 -64.52 -37.58 88.02 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.212 -0.449 . . . . 13.45 110.511 179.937 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 141' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -50.03 -38.05 35.91 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.141 -0.481 . . . . 8.25 110.424 -179.985 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 142' ' ' VAL . . . . . . . . . . . . . 84.0 t -77.74 -28.38 15.67 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.172 -0.467 . . . . 10.15 110.528 179.935 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 143' ' ' GLN . . . . . 0.563 ' O ' ' OG1' ' A' ' 146' ' ' THR . 33.2 mt-30 -63.75 -60.16 3.65 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.191 -0.459 . . . . 8.24 110.554 -179.986 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 144' ' ' MET . . . . . 0.511 ' SD ' ' O ' ' A' ' 144' ' ' MET . 0.0 OUTLIER -56.23 -24.73 44.18 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.261 -0.427 . . . . 6.68 110.542 179.94 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 145' ' ' MET . . . . . . . . . . . . . 12.2 ttt -71.45 -1.95 14.98 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.144 -0.48 . . . . 13.37 110.595 179.986 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 146' ' ' THR . . . . . 0.563 ' OG1' ' O ' ' A' ' 143' ' ' GLN . 70.2 p -111.36 -9.87 14.24 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.146 -0.479 . . . . 10.78 110.523 179.969 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 147' ' ' ALA . . . . . . . . . . . . . . . -67.42 113.25 5.14 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.21 -0.45 . . . . 18.52 110.598 -179.998 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 148' ' ' LYS . . . . . 0.445 ' HB2' ' NZ ' ' A' ' 148' ' ' LYS . 2.8 mtmp? . . . . . 0 C--O 1.22 -0.462 0 CA-C-O 118.037 -0.982 . . . . 23.42 110.539 -179.934 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 401' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 402' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 403' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 404' ' ' ' TB' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER . . . . . 0 C--O 1.231 0.099 0 CA-C-O 120.822 0.344 . . . . 23.46 110.601 . . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 4' ' ' LEU . . . . . 0.636 ' O ' ' CD1' ' A' ' 9' ' ' ILE . 1.3 mm? -91.64 128.54 37.52 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.194 -0.457 . . . . 14.38 110.565 -179.954 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 5' ' ' THR . . . . . 0.567 ' OG1' ' OE1' ' A' ' 8' ' ' GLN . 1.5 p -77.61 169.33 18.49 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.13 -0.486 . . . . 7.34 110.443 179.869 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 2.8 mt-10 -47.06 -47.31 22.7 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.307 -0.406 . . . . 7.12 110.562 -179.992 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 7' ' ' GLU . . . . . 0.619 ' N ' ' OE2' ' A' ' 7' ' ' GLU . 2.0 mp0 -57.19 -30.76 64.79 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.148 -0.478 . . . . 6.85 110.607 179.974 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 8' ' ' GLN . . . . . 0.634 ' N ' ' CD ' ' A' ' 8' ' ' GLN . 1.5 mp0 -90.75 -56.84 3.03 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.184 -0.462 . . . . 15.1 110.603 -179.982 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 9' ' ' ILE . . . . . 0.636 ' CD1' ' O ' ' A' ' 4' ' ' LEU . 31.1 mt -45.69 -31.12 1.06 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.236 -0.438 . . . . 4.72 110.527 179.951 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -76.09 -52.2 10.65 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.156 -0.474 . . . . 6.68 110.536 179.942 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 12.1 tt0 -43.87 -52.2 6.96 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.163 -0.471 . . . . 18.49 110.64 -179.917 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 12' ' ' PHE . . . . . 0.468 ' CG ' HD22 ' A' ' 69' ' ' LEU . 48.6 m-85 -60.33 -50.15 74.77 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.342 -0.39 . . . . 14.89 110.519 -179.921 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 39.8 mttt -46.89 -37.66 9.21 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.292 -0.413 . . . . 18.39 110.526 179.995 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 14' ' ' GLU . . . . . 0.458 ' O ' ' OG ' ' A' ' 17' ' ' SER . 6.8 tp10 -51.18 -50.83 58.23 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.199 -0.455 . . . . 22.76 110.563 179.911 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -45.86 -58.21 3.71 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.223 -0.444 . . . . 5.67 110.602 179.917 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 16' ' ' PHE . . . . . 0.685 ' CE2' ' OD1' ' A' ' 20' ' ' ASP . 22.0 t80 -57.14 -19.99 23.43 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.149 -0.478 . . . . 13.28 110.492 179.918 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 17' ' ' SER . . . . . 0.458 ' OG ' ' O ' ' A' ' 14' ' ' GLU . 4.8 p -85.41 -21.22 28.9 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.137 -0.483 . . . . 12.16 110.562 179.945 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 1.9 mm? -90.65 -34.27 15.5 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.163 -0.471 . . . . 17.89 110.585 179.955 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 19' ' ' PHE . . . . . 0.414 ' O ' ' N ' ' A' ' 21' ' ' LYS . 28.2 m-85 -87.4 -50.14 6.76 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.186 -0.461 . . . . 9.14 110.632 -179.912 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 20' ' ' ASP . . . . . 0.685 ' OD1' ' CE2' ' A' ' 16' ' ' PHE . 3.8 t70 -68.08 68.38 0.12 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.226 -0.443 . . . . 7.47 110.581 -179.949 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 21' ' ' LYS . . . . . 0.414 ' N ' ' O ' ' A' ' 19' ' ' PHE . 1.1 ptmm? -75.1 -19.59 59.87 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.182 -0.463 . . . . 27.75 110.665 -179.972 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 22' ' ' ASP . . . . . 0.424 ' OD1' ' OE1' ' A' ' 31' ' ' GLU . 34.2 m-20 -88.28 -15.16 36.53 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.222 -0.445 . . . . 14.13 110.613 -179.932 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 55.53 32.85 58.44 Favored Glycine 0 CA--C 1.525 0.689 0 N-CA-C 110.915 -0.874 . . . . 11.51 110.915 179.997 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 24' ' ' ASP . . . . . 0.456 ' OD2' ' N ' ' A' ' 25' ' ' GLY . 37.4 p30 -76.34 -27.16 56.37 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 120.771 0.32 . . . . 14.28 110.573 -179.961 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 25' ' ' GLY . . . . . 0.456 ' N ' ' OD2' ' A' ' 24' ' ' ASP . . . 105.1 -4.19 41.27 Favored Glycine 0 CA--C 1.524 0.629 0 N-CA-C 110.918 -0.873 . . . . 9.47 110.918 -179.957 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 26' ' ' THR . . . . . 0.408 ' O ' ' OD1' ' A' ' 24' ' ' ASP . 41.9 p -148.69 136.81 20.97 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.782 0.325 . . . . 16.41 110.595 179.969 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 0.6 OUTLIER -97.7 125.74 50.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.212 -0.449 . . . . 8.03 110.515 179.98 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 7.3 p -103.08 172.74 6.64 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.254 -0.43 . . . . 7.8 110.578 -179.922 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 29' ' ' THR . . . . . 0.402 ' HG1' HD12 ' A' ' 52' ' ' ILE . 6.2 m -75.89 -28.94 58.29 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.168 -0.469 . . . . 10.04 110.55 -179.987 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 19.8 tttm -70.51 -29.79 66.39 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.176 -0.465 . . . . 16.38 110.628 -179.983 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 31' ' ' GLU . . . . . 0.424 ' OE1' ' OD1' ' A' ' 22' ' ' ASP . 75.0 mt-10 -85.38 -30.88 23.27 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.205 -0.452 . . . . 5.59 110.549 -179.972 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -64.43 -59.9 3.8 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.198 -0.455 . . . . 7.72 110.604 180.0 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -50.92 -50.55 37.88 Favored Glycine 0 CA--C 1.524 0.651 0 N-CA-C 110.91 -0.876 . . . . 6.93 110.91 179.995 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 99.0 m -44.07 -42.54 6.25 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.836 0.35 . . . . 9.63 110.556 -179.995 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 84.7 t -63.88 -44.71 98.14 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.151 -0.477 . . . . 7.07 110.542 179.972 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 36' ' ' MET . . . . . . . . . . . . . 5.2 mmt -66.09 -29.87 70.28 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.149 -0.478 . . . . 10.12 110.51 179.984 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 37' ' ' ARG . . . . . 0.412 HH11 ' HD2' ' A' ' 43' ' ' PRO . 14.6 tpp85 -63.2 -25.62 68.42 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.15 -0.477 . . . . 9.87 110.529 179.999 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 3.6 m -83.36 -19.16 36.61 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.179 -0.464 . . . . 8.15 110.504 179.948 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 21.1 mt -91.07 15.15 12.19 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.168 -0.469 . . . . 12.78 110.528 179.927 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 68.91 25.06 75.57 Favored Glycine 0 CA--C 1.525 0.665 0 N-CA-C 110.897 -0.881 . . . . 9.6 110.897 179.974 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 5.3 mm-40 -102.96 152.3 21.47 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.775 0.321 . . . . 20.35 110.581 -179.989 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 20.0 m120 -126.47 79.98 70.13 Favored Pre-proline 0 C--N 1.328 -0.336 0 CA-C-N 116.152 -0.476 . . . . 10.22 110.531 -179.997 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 43' ' ' PRO . . . . . 0.412 ' HD2' HH11 ' A' ' 37' ' ' ARG . 59.7 Cg_endo -77.93 141.45 19.0 Favored 'Trans proline' 0 C--N 1.306 -1.705 0 C-N-CA 122.715 2.277 . . . . 8.63 112.21 -179.944 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 44.3 p -96.78 151.1 19.97 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.176 -0.466 . . . . 4.83 110.59 179.997 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 45.9 tt0 -48.44 -43.33 34.31 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.206 -0.452 . . . . 16.78 110.576 179.968 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -68.27 -38.07 81.35 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.189 -0.46 . . . . 4.8 110.577 179.997 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 47' ' ' GLU . . . . . 0.53 ' C ' ' OE1' ' A' ' 47' ' ' GLU . 0.1 OUTLIER -70.69 -60.81 2.04 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.173 -0.467 . . . . 6.18 110.545 -179.982 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 14.9 tp -50.94 -20.71 1.42 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.221 -0.445 . . . . 6.65 110.601 -179.978 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 5.4 tp60 -68.33 -50.78 51.0 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.163 -0.471 . . . . 7.05 110.553 179.982 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 20.9 t0 -52.01 -31.66 30.6 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.192 -0.458 . . . . 6.72 110.571 179.967 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 51' ' ' MET . . . . . . . . . . . . . 6.1 tpt -72.31 -59.47 2.72 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.199 -0.455 . . . . 13.6 110.563 179.944 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 52' ' ' ILE . . . . . 0.614 ' O ' ' N ' ' A' ' 56' ' ' ASP . 4.7 mm -48.95 -44.33 15.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.185 -0.461 . . . . 8.71 110.552 179.995 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 6.9 m-20 -61.67 -44.3 97.21 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.245 -0.434 . . . . 9.04 110.529 179.968 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -51.2 -46.28 62.13 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.235 -0.439 . . . . 23.58 110.56 -179.931 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 1.1 m -93.18 -21.77 5.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.225 -0.443 . . . . 7.6 110.565 179.999 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 56' ' ' ASP . . . . . 0.614 ' N ' ' O ' ' A' ' 52' ' ' ILE . 38.3 t0 -107.62 82.42 1.66 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.186 -0.461 . . . . 12.55 110.587 179.931 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -77.14 -24.87 51.57 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.179 -0.464 . . . . 15.13 110.594 -179.995 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 58' ' ' ASP . . . . . 0.54 ' OD2' ' OE1' ' A' ' 67' ' ' GLU . 0.8 OUTLIER -80.64 -11.01 59.7 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.219 -0.446 . . . . 14.32 110.609 179.988 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 44.09 20.17 0.16 Allowed Glycine 0 CA--C 1.525 0.661 0 N-CA-C 110.932 -0.867 . . . . 13.64 110.932 179.969 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 60' ' ' ASP . . . . . 0.463 ' OD2' ' N ' ' A' ' 60' ' ' ASP . 22.9 p-10 -61.3 -8.21 3.61 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.784 0.326 . . . . 13.27 110.581 179.983 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 99.71 -10.07 60.63 Favored Glycine 0 CA--C 1.524 0.629 0 N-CA-C 110.973 -0.851 . . . . 11.65 110.973 -179.988 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -127.95 169.39 14.04 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.772 0.32 . . . . 11.55 110.621 179.979 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 63' ' ' ILE . . . . . 0.434 HG21 HD12 ' A' ' 63' ' ' ILE . 74.6 mt -120.58 109.3 25.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.24 -0.436 . . . . 10.06 110.606 -179.97 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 64' ' ' ASP . . . . . 0.659 ' OD2' ' N ' ' A' ' 64' ' ' ASP . 0.0 OUTLIER -78.69 145.67 34.42 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.165 -0.471 . . . . 11.33 110.334 179.904 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 65' ' ' PHE . . . . . 0.625 ' N ' ' CD ' ' A' ' 66' ' ' PRO . 0.2 OUTLIER -64.77 -39.38 38.58 Favored Pre-proline 0 C--N 1.33 -0.248 0 CA-C-N 116.496 -0.32 . . . . 7.4 110.971 -179.668 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 66' ' ' PRO . . . . . 0.625 ' CD ' ' N ' ' A' ' 65' ' ' PHE . 51.3 Cg_exo -51.21 -44.58 42.02 Favored 'Trans proline' 0 C--N 1.309 -1.512 0 C-N-CA 122.276 1.984 . . . . 6.66 111.749 179.758 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 67' ' ' GLU . . . . . 0.553 ' OE2' ' OD2' ' A' ' 64' ' ' ASP . 6.0 mt-10 -81.37 -16.57 51.87 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.055 -0.521 . . . . 7.44 110.411 179.84 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 68' ' ' PHE . . . . . . . . . . . . . 20.9 t80 -71.11 -25.42 62.58 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.135 -0.484 . . . . 8.58 110.504 179.863 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 69' ' ' LEU . . . . . 0.468 HD22 ' CG ' ' A' ' 12' ' ' PHE . 0.5 OUTLIER -83.41 -40.49 19.29 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.141 -0.481 . . . . 9.43 110.488 179.708 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 70' ' ' THR . . . . . 0.443 HG22 ' N ' ' A' ' 71' ' ' MET . 0.7 OUTLIER -68.47 -37.05 79.8 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.241 -0.436 . . . . 7.53 110.539 -179.832 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 71' ' ' MET . . . . . 0.621 ' C ' ' SD ' ' A' ' 71' ' ' MET . 0.0 OUTLIER -60.94 -34.72 75.15 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.215 -0.448 . . . . 11.86 110.451 179.92 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 72' ' ' MET . . . . . 0.449 ' N ' ' HG3' ' A' ' 71' ' ' MET . 0.5 OUTLIER -81.83 -48.8 11.13 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.161 -0.472 . . . . 22.32 110.555 179.943 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -61.66 -55.84 26.16 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.194 -0.457 . . . . 9.15 110.52 -179.982 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 37.5 ttm180 -46.59 -40.68 13.27 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.258 -0.428 . . . . 13.8 110.565 -179.984 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 4.2 tppt? -51.2 -50.61 58.74 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.218 -0.446 . . . . 25.18 110.563 179.994 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 76' ' ' MET . . . . . . . . . . . . . 11.3 mtp -59.12 -27.56 65.72 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.174 -0.466 . . . . 34.79 110.618 -179.975 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 18.4 mmtp -94.32 39.95 1.09 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.172 -0.467 . . . . 37.65 110.615 -179.941 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 5.2 m-20 -157.41 174.98 14.59 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.184 -0.462 . . . . 42.58 110.542 -179.98 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 6.2 t -72.2 158.96 34.91 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.166 -0.47 . . . . 38.4 110.551 179.986 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 4.8 p-10 -130.56 157.46 42.64 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.236 -0.438 . . . . 37.51 110.578 -179.993 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 81' ' ' SER . . . . . 0.436 ' C ' ' H ' ' A' ' 83' ' ' GLU . 0.3 OUTLIER -113.41 128.11 56.34 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.155 -0.475 . . . . 33.12 110.542 -179.972 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 16.4 pt-20 -55.69 -10.41 0.7 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.205 -0.452 . . . . 34.28 110.597 179.966 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 83' ' ' GLU . . . . . 0.436 ' H ' ' C ' ' A' ' 81' ' ' SER . 43.9 mm-40 -60.64 -60.42 3.83 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.197 -0.456 . . . . 30.91 110.615 179.976 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 84' ' ' GLU . . . . . 0.43 ' OE1' ' CB ' ' A' ' 88' ' ' ALA . 2.9 tm-20 -47.46 -57.45 5.33 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.202 -0.454 . . . . 22.86 110.578 -179.938 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 85' ' ' ILE . . . . . . . . . . . . . 3.7 mt -42.98 -26.46 0.19 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.232 -0.44 . . . . 19.17 110.554 -179.957 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 4.2 tpp180 -83.34 -52.07 6.87 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.241 -0.436 . . . . 26.85 110.551 179.963 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 87' ' ' GLU . . . . . 0.574 ' O ' ' CG2' ' A' ' 91' ' ' VAL . 1.4 tt0 -66.65 -48.18 70.22 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.181 -0.463 . . . . 16.48 110.546 179.97 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 88' ' ' ALA . . . . . 0.43 ' CB ' ' OE1' ' A' ' 84' ' ' GLU . . . -55.71 -46.18 77.74 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.156 -0.474 . . . . 9.91 110.528 -179.999 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 30.7 t80 -74.23 -51.95 13.85 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.154 -0.475 . . . . 8.53 110.563 179.975 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 71.2 ttt180 -58.35 -18.64 29.06 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.137 -0.483 . . . . 17.58 110.627 179.952 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 91' ' ' VAL . . . . . 0.574 ' CG2' ' O ' ' A' ' 87' ' ' GLU . 4.6 t -68.39 -32.36 55.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.189 -0.46 . . . . 7.82 110.652 -179.975 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 92' ' ' PHE . . . . . 0.451 ' CD1' HG13 ' A' ' 108' ' ' VAL . 40.0 m-85 -94.47 -21.7 18.73 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.278 -0.419 . . . . 9.11 110.692 -179.955 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 93' ' ' ASP . . . . . 0.574 ' OD1' ' OD1' ' A' ' 97' ' ' ASN . 3.0 t70 -99.12 68.57 1.68 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.292 -0.413 . . . . 11.11 110.668 -179.927 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -49.11 -18.56 0.33 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.121 -0.49 . . . . 14.57 110.928 -179.699 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . 22.0 m-20 -75.43 -12.38 60.23 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.812 0.339 . . . . 10.2 110.662 -179.85 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 60.05 9.67 11.87 Favored Glycine 0 CA--C 1.525 0.664 0 N-CA-C 111.041 -0.824 . . . . 6.24 111.041 179.95 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 97' ' ' ASN . . . . . 0.783 ' ND2' ' CE1' ' A' ' 99' ' ' TYR . 19.7 p30 -76.83 -26.86 54.81 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.847 0.355 . . . . 7.56 110.483 179.859 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 98' ' ' GLY . . . . . 0.482 ' N ' ' OD1' ' A' ' 97' ' ' ASN . . . 92.58 30.25 9.99 Favored Glycine 0 CA--C 1.525 0.686 0 N-CA-C 111.28 -0.728 . . . . 7.08 111.28 179.661 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 99' ' ' TYR . . . . . 0.783 ' CE1' ' ND2' ' A' ' 97' ' ' ASN . 0.6 OUTLIER -153.8 135.15 14.16 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.824 0.345 . . . . 9.0 110.69 179.803 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 100' ' ' ILE . . . . . 0.447 HG23 HD13 ' A' ' 100' ' ' ILE . 0.8 OUTLIER -122.09 120.21 60.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.107 -0.497 . . . . 9.29 110.425 179.85 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 10.8 m -85.17 151.47 24.08 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.312 -0.403 . . . . 7.02 110.753 -179.808 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -42.91 -34.34 0.95 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.085 -0.507 . . . . 6.41 110.584 -179.978 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -62.89 -60.05 4.0 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.273 -0.421 . . . . 5.01 110.573 179.984 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 40.4 mt-10 -57.5 -45.79 84.5 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.187 -0.46 . . . . 6.84 110.561 179.969 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 105' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -47.76 -51.22 23.1 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.173 -0.467 . . . . 4.99 110.548 179.976 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 106' ' ' ARG . . . . . 0.561 ' O ' ' OG1' ' A' ' 110' ' ' THR . 35.8 mtp85 -65.19 -23.85 67.21 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.217 -0.447 . . . . 15.24 110.554 179.971 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 107' ' ' HIS . . . . . . . . . . . . . 2.8 t60 -69.3 -38.82 78.46 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.185 -0.461 . . . . 15.69 110.495 -179.958 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 108' ' ' VAL . . . . . 0.451 HG13 ' CD1' ' A' ' 92' ' ' PHE . 4.0 t -79.22 -50.67 17.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.159 -0.473 . . . . 12.28 110.568 -179.988 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 109' ' ' MET . . . . . . . . . . . . . 41.5 mtt -64.73 -18.65 65.22 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.205 -0.452 . . . . 9.53 110.582 -179.931 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 110' ' ' THR . . . . . 0.561 ' OG1' ' O ' ' A' ' 106' ' ' ARG . 1.7 m -74.72 -46.07 39.95 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.294 -0.412 . . . . 11.87 110.612 -179.941 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 111' ' ' ASN . . . . . . . . . . . . . 6.8 t-20 -77.05 -9.81 58.96 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.237 -0.438 . . . . 21.65 110.524 179.977 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -56.83 -26.08 57.44 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.178 -0.464 . . . . 19.55 110.487 179.964 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . 115.4 -2.85 22.06 Favored Glycine 0 CA--C 1.525 0.713 0 N-CA-C 110.868 -0.893 . . . . 19.66 110.868 -179.857 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 24.2 mt-10 -124.13 124.69 43.05 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.746 0.307 . . . . 25.55 110.407 179.934 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -79.1 117.48 20.18 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.303 -0.408 . . . . 23.26 110.678 -179.993 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 116' ' ' LEU . . . . . . . . . . . . . 2.5 mt -111.32 134.9 52.57 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.165 -0.47 . . . . 23.07 110.517 179.973 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 117' ' ' THR . . . . . . . . . . . . . 3.0 m -69.35 156.05 39.43 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.186 -0.461 . . . . 19.41 110.568 -179.984 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 118' ' ' ASP . . . . . 0.464 ' OD2' ' N ' ' A' ' 118' ' ' ASP . 0.4 OUTLIER -67.27 -56.7 8.74 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.203 -0.453 . . . . 18.08 110.591 179.997 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 119' ' ' GLU . . . . . 0.478 ' O ' ' CG ' ' A' ' 123' ' ' GLU . 7.3 mt-10 -52.01 -20.32 2.35 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.162 -0.472 . . . . 20.16 110.531 179.971 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 120' ' ' GLU . . . . . . . . . . . . . 4.1 tm-20 -85.22 -39.12 18.14 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.198 -0.455 . . . . 14.19 110.566 -179.989 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 121' ' ' VAL . . . . . . . . . . . . . 44.5 t -81.82 -38.18 15.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.219 -0.446 . . . . 14.97 110.568 -179.958 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 122' ' ' ASP . . . . . . . . . . . . . 19.2 t70 -68.88 -55.73 10.15 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.175 -0.466 . . . . 20.12 110.602 179.965 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 123' ' ' GLU . . . . . 0.478 ' CG ' ' O ' ' A' ' 119' ' ' GLU . 15.1 mm-40 -55.69 -31.92 62.83 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.229 -0.441 . . . . 15.72 110.595 179.998 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 124' ' ' MET . . . . . . . . . . . . . 12.7 ttt -71.45 -62.04 1.55 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.204 -0.453 . . . . 9.75 110.58 179.95 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 125' ' ' ILE . . . . . 0.581 ' CG2' ' N ' ' A' ' 126' ' ' ARG . 9.0 tt -60.32 -44.99 97.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.229 -0.442 . . . . 11.99 110.561 -179.975 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 126' ' ' ARG . . . . . 0.581 ' N ' ' CG2' ' A' ' 125' ' ' ILE . 47.6 ttp180 -58.73 -19.43 40.14 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.197 -0.456 . . . . 27.23 110.574 179.977 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 127' ' ' GLU . . . . . . . . . . . . . 3.4 tp10 -75.81 -56.67 4.45 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.159 -0.473 . . . . 15.5 110.551 -179.942 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 128' ' ' ALA . . . . . . . . . . . . . . . -78.08 -0.71 29.13 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.22 -0.446 . . . . 10.5 110.584 -179.973 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 129' ' ' ASP . . . . . 0.56 ' OD1' ' N ' ' A' ' 132' ' ' GLY . 62.2 t0 -73.12 92.73 1.73 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.208 -0.451 . . . . 10.86 110.595 179.935 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 130' ' ' ILE . . . . . . . . . . . . . 52.0 mt -49.69 -47.22 21.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.208 -0.451 . . . . 12.26 110.604 179.996 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 131' ' ' ASP . . . . . 0.643 ' N ' ' OD1' ' A' ' 131' ' ' ASP . 0.0 OUTLIER -77.86 -17.76 57.0 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.226 -0.443 . . . . 7.79 110.586 179.975 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 132' ' ' GLY . . . . . 0.56 ' N ' ' OD1' ' A' ' 129' ' ' ASP . . . 53.44 44.33 66.63 Favored Glycine 0 CA--C 1.525 0.665 0 N-CA-C 110.923 -0.871 . . . . 3.93 110.923 -179.998 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 133' ' ' ASP . . . . . 0.475 ' N ' ' OD2' ' A' ' 129' ' ' ASP . 9.2 m-20 -100.93 -2.06 32.89 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.794 0.331 . . . . 9.56 110.557 179.98 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 134' ' ' GLY . . . . . . . . . . . . . . . 98.19 5.87 57.01 Favored Glycine 0 CA--C 1.524 0.645 0 N-CA-C 110.978 -0.849 . . . . 7.32 110.978 -179.956 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 135' ' ' GLN . . . . . . . . . . . . . 3.7 pt20 -145.48 164.4 31.72 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.803 0.335 . . . . 22.05 110.565 179.981 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 136' ' ' VAL . . . . . . . . . . . . . 55.1 t -122.4 100.78 8.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.226 -0.443 . . . . 10.34 110.608 -179.993 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 137' ' ' ASN . . . . . 0.416 ' N ' ' OE1' ' A' ' 140' ' ' GLU . 71.9 m-20 -68.7 159.9 31.3 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.186 -0.461 . . . . 12.02 110.485 -179.979 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 138' ' ' TYR . . . . . 0.568 ' CD2' ' C ' ' A' ' 138' ' ' TYR . 6.4 t80 -52.11 -39.87 60.45 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.172 -0.467 . . . . 8.75 110.583 179.999 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 139' ' ' GLU . . . . . . . . . . . . . 18.2 mm-40 -53.81 -43.91 69.74 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.192 -0.458 . . . . 22.33 110.542 179.953 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 140' ' ' GLU . . . . . 0.416 ' OE1' ' N ' ' A' ' 137' ' ' ASN . 1.3 mt-10 -62.79 -33.55 75.43 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.222 -0.445 . . . . 13.45 110.483 179.965 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 141' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER -52.9 -42.52 65.41 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.139 -0.482 . . . . 8.25 110.498 179.976 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 142' ' ' VAL . . . . . . . . . . . . . 79.3 t -60.68 -35.36 63.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.174 -0.466 . . . . 10.15 110.522 -179.977 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 143' ' ' GLN . . . . . 0.452 ' O ' ' OG1' ' A' ' 146' ' ' THR . 8.0 tp-100 -52.23 -54.94 24.8 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.213 -0.449 . . . . 8.24 110.518 -179.976 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 144' ' ' MET . . . . . . . . . . . . . 0.3 OUTLIER -49.85 -34.7 20.75 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.242 -0.435 . . . . 6.68 110.502 -179.982 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 145' ' ' MET . . . . . . . . . . . . . 1.5 ttt -64.83 -13.69 56.76 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.196 -0.457 . . . . 13.37 110.527 -179.994 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 146' ' ' THR . . . . . 0.452 ' OG1' ' O ' ' A' ' 143' ' ' GLN . 39.3 p -113.14 -21.36 11.07 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.132 -0.486 . . . . 10.78 110.516 179.971 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 147' ' ' ALA . . . . . 0.414 ' O ' ' O ' ' A' ' 148' ' ' LYS . . . -64.52 104.74 0.83 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.163 -0.471 . . . . 18.52 110.631 179.987 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 148' ' ' LYS . . . . . 0.414 ' O ' ' O ' ' A' ' 147' ' ' ALA . 34.0 mttm . . . . . 0 C--O 1.219 -0.511 0 CA-C-O 117.98 -1.009 . . . . 23.42 110.547 -179.955 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 401' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 402' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 403' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 404' ' ' ' TB' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 21.0 mt-30 . . . . . 0 C--O 1.231 0.111 0 CA-C-O 120.795 0.331 . . . . 23.46 110.606 . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -79.3 159.54 27.18 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.229 -0.441 . . . . 14.38 110.55 179.979 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 5' ' ' THR . . . . . 0.693 ' HG1' ' NE2' ' A' ' 8' ' ' GLN . 14.1 p -107.01 157.54 17.73 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.202 -0.454 . . . . 7.34 110.56 -179.994 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 30.0 mt-10 -49.97 -49.98 48.49 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.203 -0.453 . . . . 7.12 110.606 179.979 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 7' ' ' GLU . . . . . 0.534 ' C ' ' OE1' ' A' ' 8' ' ' GLN . 9.3 mm-40 -52.59 -28.9 23.05 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.173 -0.467 . . . . 6.85 110.586 179.946 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 8' ' ' GLN . . . . . 0.693 ' NE2' ' HG1' ' A' ' 5' ' ' THR . 0.9 OUTLIER -90.66 -52.82 4.69 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.192 -0.458 . . . . 15.1 110.598 179.977 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 71.0 mt -52.21 -30.17 13.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.185 -0.461 . . . . 4.72 110.56 -179.998 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -72.45 -56.02 6.08 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.189 -0.459 . . . . 6.68 110.541 179.982 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 21.4 mm-40 -43.92 -46.49 8.14 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.21 -0.45 . . . . 18.49 110.626 -179.891 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 12' ' ' PHE . . . . . 0.45 ' CD2' HD23 ' A' ' 69' ' ' LEU . 58.8 m-85 -62.35 -49.45 75.53 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.378 -0.374 . . . . 14.89 110.54 -179.991 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 30.6 mtpt -46.81 -38.62 10.47 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.229 -0.441 . . . . 18.39 110.47 179.957 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 13.2 tt0 -52.89 -39.5 62.75 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.149 -0.478 . . . . 22.76 110.488 179.934 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -57.77 -58.34 8.8 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.19 -0.459 . . . . 5.67 110.542 179.904 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 0.8 OUTLIER -55.22 -20.02 9.62 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.212 -0.449 . . . . 13.28 110.516 179.937 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 3.1 t -85.53 -21.14 28.74 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.098 -0.501 . . . . 12.16 110.45 179.869 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 18' ' ' LEU . . . . . 0.438 ' N ' HD21 ' A' ' 18' ' ' LEU . 2.0 mm? -90.65 -36.75 14.2 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.109 -0.496 . . . . 17.89 110.55 -179.993 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 19' ' ' PHE . . . . . 0.463 ' CE1' HG13 ' A' ' 35' ' ' VAL . 48.0 m-85 -83.83 -50.25 8.28 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.226 -0.443 . . . . 9.14 110.669 -179.939 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 23.3 t0 -68.23 68.04 0.12 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.273 -0.421 . . . . 7.47 110.582 -179.986 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 1.5 tptp -66.46 -19.61 65.84 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.156 -0.474 . . . . 27.75 110.657 -179.935 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 22' ' ' ASP . . . . . 0.568 ' OD1' ' OE1' ' A' ' 31' ' ' GLU . 6.6 m-20 -88.96 -15.24 34.73 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.302 -0.408 . . . . 14.13 110.61 -179.919 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 58.58 33.03 70.34 Favored Glycine 0 CA--C 1.525 0.693 0 N-CA-C 110.913 -0.875 . . . . 11.51 110.913 -179.995 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 22.9 p-10 -83.34 -30.16 27.7 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.808 0.337 . . . . 14.28 110.664 179.976 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 105.13 6.8 39.03 Favored Glycine 0 CA--C 1.525 0.691 0 N-CA-C 110.932 -0.867 . . . . 9.47 110.932 -179.996 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 1.8 p -148.68 136.85 21.0 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.797 0.332 . . . . 16.41 110.563 179.936 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 5.0 mt -109.91 130.21 63.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.218 -0.446 . . . . 8.03 110.516 179.984 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 12.6 p -109.4 175.3 5.5 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.13 -0.487 . . . . 7.8 110.576 -179.991 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -70.17 -19.92 63.17 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.221 -0.445 . . . . 10.04 110.611 -179.994 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 2.4 ttmm -76.12 -38.65 56.58 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.196 -0.456 . . . . 16.38 110.609 -179.973 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 31' ' ' GLU . . . . . 0.568 ' OE1' ' OD1' ' A' ' 22' ' ' ASP . 16.4 mt-10 -79.93 -31.62 40.08 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.238 -0.437 . . . . 5.59 110.479 -179.99 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 3.8 tp -64.31 -58.92 5.12 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.15 -0.477 . . . . 7.72 110.548 -179.968 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -44.08 -46.54 8.01 Favored Glycine 0 CA--C 1.524 0.612 0 N-CA-C 110.896 -0.882 . . . . 6.93 110.896 179.941 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 4.9 m -50.14 -40.7 47.11 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.801 0.334 . . . . 9.63 110.51 179.967 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 35' ' ' VAL . . . . . 0.463 HG13 ' CE1' ' A' ' 19' ' ' PHE . 94.7 t -60.36 -51.31 74.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.192 -0.458 . . . . 7.07 110.523 179.959 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 36' ' ' MET . . . . . . . . . . . . . 6.3 mmt -58.02 -26.09 61.99 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.204 -0.453 . . . . 10.12 110.494 179.985 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 8.2 mtt180 -69.5 -22.58 63.6 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.172 -0.467 . . . . 9.87 110.522 -179.99 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 1.1 t -79.98 -27.63 39.65 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.157 -0.474 . . . . 8.15 110.486 179.989 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 13.1 mt -92.54 15.09 14.97 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.184 -0.462 . . . . 12.78 110.56 179.978 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 62.09 26.23 67.25 Favored Glycine 0 CA--C 1.524 0.64 0 N-CA-C 110.929 -0.869 . . . . 9.6 110.929 -179.969 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 7.7 mt-30 -95.06 151.26 19.34 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.796 0.331 . . . . 20.35 110.631 179.981 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 10.4 m120 -134.56 80.0 52.14 Favored Pre-proline 0 C--N 1.328 -0.326 0 CA-C-N 116.173 -0.467 . . . . 10.22 110.529 179.988 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 60.3 Cg_endo -78.1 152.08 27.53 Favored 'Trans proline' 0 C--N 1.305 -1.713 0 C-N-CA 122.771 2.314 . . . . 8.63 112.24 -179.954 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -87.94 164.29 15.91 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.178 -0.465 . . . . 4.83 110.598 179.98 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 14.2 mt-10 -53.75 -51.58 62.91 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.229 -0.441 . . . . 16.78 110.598 179.945 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -52.66 -36.36 56.74 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.148 -0.478 . . . . 4.8 110.519 -179.989 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 2.5 tp10 -74.29 -56.02 5.36 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.233 -0.439 . . . . 6.18 110.522 -179.959 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 19.9 mt -50.11 -37.22 33.07 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.17 -0.468 . . . . 6.65 110.553 -179.969 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 55.6 mt-30 -76.36 -50.79 13.31 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.214 -0.448 . . . . 7.05 110.519 -179.996 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 26.4 t0 -53.34 -29.63 35.11 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.227 -0.442 . . . . 6.72 110.538 179.97 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 51' ' ' MET . . . . . . . . . . . . . 7.2 mmt -73.33 -55.73 6.01 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.178 -0.464 . . . . 13.6 110.539 -179.995 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 4.5 mm -49.63 -45.24 20.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.173 -0.467 . . . . 8.71 110.497 179.968 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 55.1 t-20 -50.61 -51.41 48.92 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.23 -0.441 . . . . 9.04 110.544 179.998 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 39.3 mt-10 -51.21 -30.11 16.17 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.176 -0.466 . . . . 23.58 110.587 179.998 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 2.4 t -95.0 -26.64 4.32 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.179 -0.464 . . . . 7.6 110.557 -179.994 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 56' ' ' ASP . . . . . 0.597 ' OD1' ' N ' ' A' ' 59' ' ' GLY . 7.5 t0 -107.58 80.41 1.39 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.209 -0.45 . . . . 12.55 110.554 -179.995 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -69.26 -19.15 63.93 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.159 -0.473 . . . . 15.13 110.547 179.962 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -103.81 -4.66 23.3 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.228 -0.442 . . . . 14.32 110.582 -179.975 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 59' ' ' GLY . . . . . 0.597 ' N ' ' OD1' ' A' ' 56' ' ' ASP . . . 44.95 31.07 2.66 Favored Glycine 0 CA--C 1.524 0.63 0 N-CA-C 110.987 -0.845 . . . . 13.64 110.987 -179.98 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -59.26 -10.7 3.16 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.78 0.324 . . . . 13.27 110.562 -179.968 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 105.74 -10.07 44.84 Favored Glycine 0 CA--C 1.525 0.716 0 N-CA-C 110.889 -0.884 . . . . 11.65 110.889 179.952 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 62' ' ' THR . . . . . 0.52 ' O ' ' OD2' ' A' ' 56' ' ' ASP . 0.0 OUTLIER -136.19 173.79 11.32 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.824 0.345 . . . . 11.55 110.524 -179.993 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 63' ' ' ILE . . . . . . . . . . . . . 55.7 mt -111.53 113.81 45.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.202 -0.454 . . . . 10.06 110.684 -179.946 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 64' ' ' ASP . . . . . 0.675 ' OD1' ' N ' ' A' ' 64' ' ' ASP . 0.0 OUTLIER -78.7 145.7 34.38 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.188 -0.46 . . . . 11.33 110.358 179.881 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 65' ' ' PHE . . . . . 0.659 ' N ' ' CD ' ' A' ' 66' ' ' PRO . 0.3 OUTLIER -70.9 -36.87 5.56 Favored Pre-proline 0 C--N 1.331 -0.223 0 CA-C-N 116.472 -0.331 . . . . 7.4 111.078 -179.71 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 66' ' ' PRO . . . . . 0.659 ' CD ' ' N ' ' A' ' 65' ' ' PHE . 37.0 Cg_exo -53.56 -48.68 20.57 Favored 'Trans proline' 0 C--N 1.309 -1.533 0 C-N-CA 122.32 2.013 . . . . 6.66 111.818 179.83 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 67' ' ' GLU . . . . . 0.572 ' OE2' ' OD2' ' A' ' 64' ' ' ASP . 14.5 mt-10 -74.54 -32.31 62.42 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.155 -0.475 . . . . 7.44 110.332 179.819 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 68' ' ' PHE . . . . . . . . . . . . . 35.6 t80 -50.39 -27.96 7.27 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.149 -0.478 . . . . 8.58 110.497 179.912 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 69' ' ' LEU . . . . . 0.45 HD23 ' CD2' ' A' ' 12' ' ' PHE . 0.4 OUTLIER -83.47 -38.01 22.39 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.141 -0.481 . . . . 9.43 110.233 179.534 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 70' ' ' THR . . . . . 0.569 ' O ' ' CB ' ' A' ' 74' ' ' ARG . 0.3 OUTLIER -71.63 -35.91 70.58 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.024 -0.535 . . . . 7.53 110.472 179.999 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 71' ' ' MET . . . . . . . . . . . . . 8.4 tpt -55.98 -43.12 77.29 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.203 -0.453 . . . . 11.86 110.549 179.967 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 72' ' ' MET . . . . . . . . . . . . . 3.3 ptm -89.18 -38.85 13.97 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.19 -0.459 . . . . 22.32 110.571 179.979 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -69.52 -32.22 70.92 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.234 -0.439 . . . . 9.15 110.59 179.98 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 74' ' ' ARG . . . . . 0.569 ' CB ' ' O ' ' A' ' 70' ' ' THR . 64.6 ttt180 -75.09 -42.59 56.31 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.233 -0.44 . . . . 13.8 110.573 -179.939 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 75' ' ' LYS . . . . . 0.477 ' O ' ' OD1' ' A' ' 78' ' ' ASP . 2.3 tmtm? -50.75 -32.53 19.99 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.196 -0.456 . . . . 25.18 110.582 179.967 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 76' ' ' MET . . . . . . . . . . . . . 12.5 mtp -77.91 0.49 23.93 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.168 -0.469 . . . . 34.79 110.594 -179.987 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 7.0 mtpm? -113.51 32.85 5.51 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.183 -0.462 . . . . 37.65 110.556 179.998 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 78' ' ' ASP . . . . . 0.477 ' OD1' ' O ' ' A' ' 75' ' ' LYS . 25.3 p-10 -161.94 -175.53 4.71 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.215 -0.448 . . . . 42.58 110.549 179.985 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 12.6 t -77.45 156.75 30.89 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.201 -0.454 . . . . 38.4 110.527 179.992 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 6.8 p-10 -130.31 163.01 27.74 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.159 -0.473 . . . . 37.51 110.6 -179.99 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 72.5 p -117.12 134.81 54.31 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.219 -0.446 . . . . 33.12 110.551 179.994 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 17.6 mm-40 -57.33 -10.38 1.33 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.186 -0.461 . . . . 34.28 110.632 179.948 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -53.0 -60.43 3.29 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.166 -0.47 . . . . 30.91 110.575 179.993 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 5.6 tt0 -62.56 -55.6 25.73 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.184 -0.462 . . . . 22.86 110.572 179.981 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 85' ' ' ILE . . . . . 0.476 ' CD1' ' SD ' ' A' ' 145' ' ' MET . 16.3 mt -45.43 -27.76 0.62 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.206 -0.452 . . . . 19.17 110.578 179.996 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 46.6 mtt180 -83.39 -52.71 6.29 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.176 -0.466 . . . . 26.85 110.535 -179.953 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 87' ' ' GLU . . . . . 0.484 ' O ' ' CG2' ' A' ' 91' ' ' VAL . 0.6 OUTLIER -53.41 -40.51 65.18 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.224 -0.444 . . . . 16.48 110.547 -179.974 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -78.82 -42.88 26.57 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.24 -0.436 . . . . 9.91 110.602 -179.994 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 89' ' ' PHE . . . . . 0.454 ' CZ ' ' HB2' ' A' ' 138' ' ' TYR . 50.4 t80 -55.84 -36.16 67.2 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.16 -0.473 . . . . 8.53 110.604 -179.984 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 90' ' ' ARG . . . . . 0.404 ' C ' ' N ' ' A' ' 92' ' ' PHE . 19.3 mtp180 -81.26 -43.68 18.84 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.206 -0.452 . . . . 17.58 110.51 -179.991 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 91' ' ' VAL . . . . . 0.484 ' CG2' ' O ' ' A' ' 87' ' ' GLU . 44.4 t -50.08 -16.63 0.39 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.168 -0.469 . . . . 7.82 110.64 -179.891 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 92' ' ' PHE . . . . . 0.404 ' N ' ' C ' ' A' ' 90' ' ' ARG . 14.3 m-85 -94.31 -40.3 10.03 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.189 -0.459 . . . . 9.11 110.528 179.952 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 93' ' ' ASP . . . . . 0.668 ' OD1' ' ND2' ' A' ' 97' ' ' ASN . 2.0 t70 -98.98 71.37 1.86 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.162 -0.472 . . . . 11.11 110.583 -179.993 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 17.6 mtmm -47.93 -19.25 0.23 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.209 -0.45 . . . . 14.57 111.124 -179.629 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . 17.1 t0 -75.18 -12.0 60.2 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 120.842 0.353 . . . . 10.2 110.64 -179.765 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 60.3 9.7 12.98 Favored Glycine 0 CA--C 1.525 0.708 0 N-CA-C 111.009 -0.836 . . . . 6.24 111.009 -179.972 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 97' ' ' ASN . . . . . 0.784 ' ND2' ' H ' ' A' ' 99' ' ' TYR . 0.0 OUTLIER -78.02 -7.25 56.64 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.847 0.356 . . . . 7.56 110.371 179.815 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 98' ' ' GLY . . . . . 0.619 ' N ' HD21 ' A' ' 97' ' ' ASN . . . 73.55 30.16 62.61 Favored Glycine 0 CA--C 1.525 0.678 0 N-CA-C 111.072 -0.811 . . . . 7.08 111.072 179.886 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 99' ' ' TYR . . . . . 0.784 ' H ' ' ND2' ' A' ' 97' ' ' ASN . 82.2 m-85 -140.72 135.07 31.21 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.848 0.356 . . . . 9.0 110.689 179.946 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 8.5 mt -122.06 108.35 21.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.158 -0.473 . . . . 9.29 110.468 179.911 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 5.4 t -86.21 151.59 23.51 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.245 -0.434 . . . . 7.02 110.69 -179.887 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -46.16 -28.27 1.19 Allowed 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.017 -0.538 . . . . 6.41 110.628 -179.998 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -67.79 -39.14 84.08 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.198 -0.455 . . . . 5.01 110.605 179.974 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 2.8 mt-10 -75.32 -49.81 17.97 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.168 -0.469 . . . . 6.84 110.585 179.977 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 105' ' ' LEU . . . . . 0.427 ' C ' ' CD1' ' A' ' 105' ' ' LEU . 0.2 OUTLIER -47.73 -49.86 26.99 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.232 -0.44 . . . . 4.99 110.579 -179.982 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 106' ' ' ARG . . . . . 0.575 ' O ' ' OG1' ' A' ' 110' ' ' THR . 5.3 tmm_? -66.49 -37.81 85.9 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.191 -0.458 . . . . 15.24 110.589 179.972 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 107' ' ' HIS . . . . . . . . . . . . . 10.5 t-160 -58.81 -54.6 45.31 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.165 -0.47 . . . . 15.69 110.518 -179.951 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 108' ' ' VAL . . . . . . . . . . . . . 24.3 t -61.53 -41.72 91.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.218 -0.446 . . . . 12.28 110.603 -179.979 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 109' ' ' MET . . . . . . . . . . . . . 4.9 mtt -76.47 -18.46 58.76 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.18 -0.464 . . . . 9.53 110.61 -179.99 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 110' ' ' THR . . . . . 0.575 ' OG1' ' O ' ' A' ' 106' ' ' ARG . 13.7 m -70.2 -51.69 29.02 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.212 -0.449 . . . . 11.87 110.631 -179.984 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 111' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER -67.95 -18.76 64.85 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.233 -0.44 . . . . 21.65 110.621 -179.987 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -50.08 -31.38 13.08 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.116 -0.493 . . . . 19.55 110.483 -179.996 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . 115.09 4.34 20.82 Favored Glycine 0 CA--C 1.525 0.693 0 N-CA-C 110.901 -0.88 . . . . 19.66 110.901 -179.949 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -124.29 126.23 45.7 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.754 0.311 . . . . 25.55 110.445 179.925 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 23.6 mttt -87.25 111.95 21.53 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.31 -0.405 . . . . 23.26 110.556 -179.975 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 116' ' ' LEU . . . . . . . . . . . . . 4.8 mt -105.51 143.06 34.19 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.184 -0.462 . . . . 23.07 110.592 179.993 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 117' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -69.28 151.62 46.03 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.234 -0.439 . . . . 19.41 110.556 -179.97 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 118' ' ' ASP . . . . . . . . . . . . . 4.3 m-20 -74.11 -28.65 61.45 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.179 -0.464 . . . . 18.08 110.527 -179.989 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 119' ' ' GLU . . . . . . . . . . . . . 5.1 mt-10 -71.77 -28.32 63.55 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.213 -0.449 . . . . 20.16 110.531 -179.978 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 120' ' ' GLU . . . . . . . . . . . . . 7.7 tt0 -83.73 -32.72 25.34 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.227 -0.442 . . . . 14.19 110.577 179.983 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 121' ' ' VAL . . . . . . . . . . . . . 68.9 t -73.82 -49.93 32.03 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.139 -0.482 . . . . 14.97 110.568 -179.98 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 122' ' ' ASP . . . . . 0.632 ' OD2' ' N ' ' A' ' 123' ' ' GLU . 3.4 p-10 -67.34 -43.26 82.01 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.197 -0.456 . . . . 20.12 110.539 -179.982 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 123' ' ' GLU . . . . . 0.632 ' N ' ' OD2' ' A' ' 122' ' ' ASP . 3.9 tm-20 -46.68 -46.46 20.08 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.219 -0.446 . . . . 15.72 110.555 -179.993 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 124' ' ' MET . . . . . . . . . . . . . 2.1 tpt -72.87 -48.81 34.3 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.168 -0.469 . . . . 9.75 110.555 179.991 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 125' ' ' ILE . . . . . 0.516 ' O ' ' OD2' ' A' ' 129' ' ' ASP . 52.8 mt -62.37 -59.92 3.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.211 -0.449 . . . . 11.99 110.582 -179.996 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 126' ' ' ARG . . . . . 0.505 ' N ' ' O ' ' A' ' 122' ' ' ASP . 3.5 tpt180 -45.06 -31.95 1.54 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.195 -0.457 . . . . 27.23 110.588 179.973 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 127' ' ' GLU . . . . . . . . . . . . . 22.4 mt-10 -84.52 -53.3 5.51 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.167 -0.47 . . . . 15.5 110.586 179.966 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 128' ' ' ALA . . . . . . . . . . . . . . . -62.59 -8.42 6.42 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.223 -0.444 . . . . 10.5 110.52 -179.996 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 129' ' ' ASP . . . . . 0.573 ' OD1' ' O ' ' A' ' 135' ' ' GLN . 1.7 m-20 -91.03 93.89 9.38 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.2 -0.455 . . . . 10.86 110.594 179.999 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 130' ' ' ILE . . . . . . . . . . . . . 44.5 mt -48.94 -40.96 12.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.234 -0.439 . . . . 12.26 110.524 -179.935 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 131' ' ' ASP . . . . . . . . . . . . . 2.3 m-20 -87.4 -17.7 31.7 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.226 -0.443 . . . . 7.79 110.557 -179.988 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 132' ' ' GLY . . . . . . . . . . . . . . . 56.61 53.34 44.36 Favored Glycine 0 CA--C 1.525 0.671 0 N-CA-C 110.986 -0.846 . . . . 3.93 110.986 179.975 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 133' ' ' ASP . . . . . 0.532 ' OD1' ' N ' ' A' ' 133' ' ' ASP . 0.7 OUTLIER -100.91 2.87 41.28 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.802 0.334 . . . . 9.56 110.603 179.959 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 134' ' ' GLY . . . . . . . . . . . . . . . 88.29 7.67 72.6 Favored Glycine 0 CA--C 1.524 0.634 0 N-CA-C 110.915 -0.874 . . . . 7.32 110.915 -179.969 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 135' ' ' GLN . . . . . 0.573 ' O ' ' OD1' ' A' ' 129' ' ' ASP . 1.0 OUTLIER -145.72 164.43 31.83 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.801 0.334 . . . . 22.05 110.544 -179.965 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 136' ' ' VAL . . . . . . . . . . . . . 1.5 t -120.97 100.66 9.31 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.249 -0.432 . . . . 10.34 110.671 -179.998 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 137' ' ' ASN . . . . . . . . . . . . . 52.6 p-10 -68.96 165.42 20.11 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.131 -0.486 . . . . 12.02 110.631 -179.984 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 138' ' ' TYR . . . . . 0.454 ' HB2' ' CZ ' ' A' ' 89' ' ' PHE . 34.9 t80 -54.21 -34.42 60.57 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.218 -0.446 . . . . 8.75 110.571 179.974 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 139' ' ' GLU . . . . . . . . . . . . . 4.4 tt0 -61.77 -39.46 91.71 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.153 -0.476 . . . . 22.33 110.549 -179.968 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 140' ' ' GLU . . . . . 0.539 ' O ' ' CB ' ' A' ' 143' ' ' GLN . 6.4 mt-10 -65.15 -39.36 92.88 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.199 -0.455 . . . . 13.45 110.591 179.971 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 141' ' ' PHE . . . . . 0.413 ' C ' ' N ' ' A' ' 143' ' ' GLN . 1.4 m-85 -50.27 -60.28 3.13 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.182 -0.463 . . . . 8.25 110.489 179.973 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 142' ' ' VAL . . . . . . . . . . . . . 60.4 t -46.22 -21.64 0.29 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.199 -0.455 . . . . 10.15 110.497 179.932 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 143' ' ' GLN . . . . . 0.539 ' CB ' ' O ' ' A' ' 140' ' ' GLU . 6.6 tt0 -62.47 -57.16 12.22 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.149 -0.478 . . . . 8.24 110.529 179.91 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 144' ' ' MET . . . . . . . . . . . . . 17.4 ttm -52.32 -18.36 1.55 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.168 -0.469 . . . . 6.68 110.499 179.873 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 145' ' ' MET . . . . . 0.476 ' SD ' ' CD1' ' A' ' 85' ' ' ILE . 5.3 mtp -85.21 -15.3 44.06 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.155 -0.475 . . . . 13.37 110.637 179.999 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 146' ' ' THR . . . . . . . . . . . . . 1.1 t -113.39 -23.42 9.88 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.215 -0.448 . . . . 10.78 110.472 179.855 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 147' ' ' ALA . . . . . . . . . . . . . . . -75.31 136.98 40.85 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.054 -0.521 . . . . 18.52 110.564 -179.985 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 148' ' ' LYS . . . . . . . . . . . . . 8.3 tptm . . . . . 0 C--O 1.22 -0.468 0 CA-C-O 118.061 -0.971 . . . . 23.42 110.566 179.982 . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 401' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 402' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 403' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 404' ' ' ' TB' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 1.3 tp-100 . . . . . 0 C--O 1.231 0.103 0 CA-C-O 120.79 0.329 . . . . 23.46 110.588 . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 2.2 tp -82.74 126.97 32.98 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.174 -0.466 . . . . 14.38 110.535 -179.987 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 0.5 OUTLIER -67.56 148.92 50.8 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.154 -0.475 . . . . 7.34 110.591 179.978 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 5.7 pt-20 -53.93 -41.74 68.03 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.205 -0.452 . . . . 7.12 110.556 -179.958 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 32.3 mt-10 -52.63 -37.69 58.92 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.233 -0.44 . . . . 6.85 110.596 179.966 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 22.7 mt-30 -80.46 -46.15 16.4 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.228 -0.442 . . . . 15.1 110.533 -179.986 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 28.2 mt -57.22 -24.21 20.57 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.198 -0.455 . . . . 4.72 110.55 -179.987 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -78.71 -59.26 2.85 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.233 -0.44 . . . . 6.68 110.63 179.99 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 53.1 mt-10 -48.21 -35.89 12.72 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.188 -0.46 . . . . 18.49 110.595 179.965 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 12' ' ' PHE . . . . . 0.463 ' CD2' HD23 ' A' ' 69' ' ' LEU . 4.9 m-85 -63.11 -45.57 91.38 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.191 -0.458 . . . . 14.89 110.61 179.966 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 28.7 mtpt -46.97 -32.94 4.23 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.183 -0.462 . . . . 18.39 110.522 179.999 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 14' ' ' GLU . . . . . 0.481 ' O ' ' OG ' ' A' ' 17' ' ' SER . 23.1 mm-40 -63.75 -46.28 86.02 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.191 -0.459 . . . . 22.76 110.518 179.978 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 15' ' ' ALA . . . . . 0.579 ' O ' ' CB ' ' A' ' 18' ' ' LEU . . . -48.6 -57.31 6.41 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.209 -0.45 . . . . 5.67 110.512 -179.983 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 16' ' ' PHE . . . . . 0.469 ' CE1' ' HB2' ' A' ' 65' ' ' PHE . 0.2 OUTLIER -42.8 -60.12 1.7 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.191 -0.459 . . . . 13.28 110.451 179.999 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 17' ' ' SER . . . . . 0.481 ' OG ' ' O ' ' A' ' 14' ' ' GLU . 70.2 p -45.29 -21.52 0.09 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.217 -0.447 . . . . 12.16 110.413 179.905 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 18' ' ' LEU . . . . . 0.579 ' CB ' ' O ' ' A' ' 15' ' ' ALA . 13.7 tp -67.34 -46.27 73.92 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.066 -0.515 . . . . 17.89 110.458 179.89 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 97.0 m-85 -90.05 -50.15 6.18 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.14 -0.482 . . . . 9.14 110.543 179.938 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 20' ' ' ASP . . . . . 0.558 ' OD2' ' OD1' ' A' ' 24' ' ' ASP . 12.5 t0 -71.88 68.54 0.66 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.209 -0.45 . . . . 7.47 110.512 -179.976 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 13.3 tttt -61.59 -19.71 62.51 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.195 -0.457 . . . . 27.75 110.681 -179.96 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 22' ' ' ASP . . . . . 0.528 ' OD2' ' N ' ' A' ' 22' ' ' ASP . 1.1 m-20 -87.44 -15.47 37.6 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.291 -0.413 . . . . 14.13 110.583 -179.909 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 60.35 32.74 78.11 Favored Glycine 0 CA--C 1.524 0.633 0 N-CA-C 110.917 -0.873 . . . . 11.51 110.917 -179.946 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 24' ' ' ASP . . . . . 0.558 ' OD1' ' OD2' ' A' ' 20' ' ' ASP . 9.2 p-10 -80.84 -27.49 36.47 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.791 0.329 . . . . 14.28 110.591 -179.978 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 105.16 5.79 40.14 Favored Glycine 0 CA--C 1.525 0.692 0 N-CA-C 110.889 -0.884 . . . . 9.47 110.889 -179.963 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 1.4 p -148.72 136.74 20.86 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 120.8 0.333 . . . . 16.41 110.576 -179.965 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 19.1 mt -111.8 138.64 39.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.206 -0.452 . . . . 8.03 110.606 179.999 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 33.1 p -111.25 174.89 5.65 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.172 -0.467 . . . . 7.8 110.521 -179.918 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -73.97 -30.77 62.69 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.178 -0.464 . . . . 10.04 110.588 179.955 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 8.4 pttt -68.44 -33.15 73.69 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.194 -0.457 . . . . 16.38 110.56 179.985 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 21.9 mt-10 -85.29 -31.71 22.92 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.234 -0.439 . . . . 5.59 110.461 179.966 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 65.6 tp -72.08 -30.03 64.71 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.164 -0.471 . . . . 7.72 110.505 179.996 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 33' ' ' GLY . . . . . 0.41 ' CA ' HD21 ' A' ' 48' ' ' LEU . . . -66.81 -48.6 60.36 Favored Glycine 0 CA--C 1.525 0.67 0 N-CA-C 110.863 -0.895 . . . . 6.93 110.863 179.952 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 17.7 m -53.41 -33.09 52.53 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.811 0.338 . . . . 9.63 110.49 179.961 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 42.6 t -61.05 -52.33 62.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.204 -0.453 . . . . 7.07 110.542 179.969 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 36' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -62.08 -33.65 74.82 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.182 -0.463 . . . . 10.12 110.509 179.954 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 37' ' ' ARG . . . . . 0.46 ' HG2' HH21 ' A' ' 37' ' ' ARG . 30.7 ttp85 -59.35 -23.45 62.53 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.149 -0.478 . . . . 9.87 110.52 179.941 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 49.5 m -83.32 -21.24 33.24 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.214 -0.448 . . . . 8.15 110.472 179.931 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 39.1 mt -91.76 15.15 13.44 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.18 -0.464 . . . . 12.78 110.504 179.947 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 67.97 26.52 73.94 Favored Glycine 0 CA--C 1.524 0.65 0 N-CA-C 110.937 -0.865 . . . . 9.6 110.937 179.994 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 84.7 mm-40 -104.28 150.21 24.64 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.811 0.339 . . . . 20.35 110.583 -179.995 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 9.4 t-20 -135.92 80.06 43.55 Favored Pre-proline 0 C--N 1.328 -0.332 0 CA-C-N 116.178 -0.465 . . . . 10.22 110.558 179.984 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 59.7 Cg_endo -77.88 154.85 30.23 Favored 'Trans proline' 0 C--N 1.306 -1.685 0 C-N-CA 122.791 2.328 . . . . 8.63 112.16 -179.85 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 44' ' ' THR . . . . . 0.492 ' HG1' ' H ' ' A' ' 46' ' ' ALA . 3.9 p -85.27 157.7 20.51 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.15 -0.477 . . . . 4.83 110.545 -179.993 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 5.7 mt-10 -56.05 -22.62 28.48 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.238 -0.437 . . . . 16.78 110.576 179.94 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 46' ' ' ALA . . . . . 0.492 ' H ' ' HG1' ' A' ' 44' ' ' THR . . . -83.59 -26.5 29.97 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.201 -0.454 . . . . 4.8 110.543 -179.972 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 39.1 tt0 -76.71 -60.84 2.18 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.242 -0.435 . . . . 6.18 110.528 -179.961 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 48' ' ' LEU . . . . . 0.41 HD21 ' CA ' ' A' ' 33' ' ' GLY . 3.3 tp -54.94 -54.96 35.95 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.227 -0.442 . . . . 6.65 110.579 179.969 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 17.0 tt0 -50.4 -51.98 41.46 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.168 -0.469 . . . . 7.05 110.472 179.964 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 4.4 t70 -69.27 -17.12 63.72 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.18 -0.464 . . . . 6.72 110.484 179.908 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 51' ' ' MET . . . . . . . . . . . . . 1.4 tpt -73.19 -44.59 59.56 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.118 -0.492 . . . . 13.6 110.508 179.996 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 6.5 tt -59.76 -31.92 48.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.196 -0.456 . . . . 8.71 110.521 179.989 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 8.8 m120 -67.94 -37.52 81.72 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.218 -0.446 . . . . 9.04 110.553 -179.981 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 65.3 mt-10 -51.2 -49.81 60.28 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.197 -0.456 . . . . 23.58 110.67 -179.854 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 18.7 m -80.6 -28.29 11.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.228 -0.442 . . . . 7.6 110.584 -179.953 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 56' ' ' ASP . . . . . 0.576 ' OD2' ' OD2' ' A' ' 60' ' ' ASP . 46.3 t0 -92.33 98.48 11.52 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.199 -0.455 . . . . 12.55 110.575 -179.966 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -83.3 -18.05 40.37 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.223 -0.444 . . . . 15.13 110.527 -179.971 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 58' ' ' ASP . . . . . 0.444 ' N ' ' OD1' ' A' ' 58' ' ' ASP . 0.0 OUTLIER -87.83 -11.0 49.15 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.189 -0.46 . . . . 14.32 110.556 -179.99 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 59' ' ' GLY . . . . . 0.547 ' N ' ' OD1' ' A' ' 56' ' ' ASP . . . 47.26 42.9 18.36 Favored Glycine 0 CA--C 1.524 0.633 0 N-CA-C 110.961 -0.856 . . . . 13.64 110.961 -179.947 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 60' ' ' ASP . . . . . 0.576 ' OD2' ' OD2' ' A' ' 56' ' ' ASP . 3.1 p-10 -78.97 -19.79 50.78 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.827 0.346 . . . . 13.27 110.551 -179.946 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 105.69 1.18 39.94 Favored Glycine 0 CA--C 1.525 0.663 0 N-CA-C 110.962 -0.855 . . . . 11.65 110.962 -179.952 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -138.2 178.63 6.98 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.78 0.324 . . . . 11.55 110.555 179.991 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 63' ' ' ILE . . . . . . . . . . . . . 42.8 mm -118.23 104.91 16.87 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.249 -0.432 . . . . 10.06 110.658 -179.974 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 64' ' ' ASP . . . . . 0.521 ' OD1' ' OE1' ' A' ' 67' ' ' GLU . 0.0 OUTLIER -78.79 145.72 34.18 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.205 -0.452 . . . . 11.33 110.276 179.867 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 65' ' ' PHE . . . . . 0.671 ' N ' ' CD ' ' A' ' 66' ' ' PRO . 0.4 OUTLIER -70.87 -37.26 6.03 Favored Pre-proline 0 C--N 1.331 -0.222 0 CA-C-N 116.45 -0.341 . . . . 7.4 110.915 -179.666 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 66' ' ' PRO . . . . . 0.671 ' CD ' ' N ' ' A' ' 65' ' ' PHE . 33.0 Cg_exo -55.33 -54.86 3.68 Favored 'Trans proline' 0 C--N 1.309 -1.545 0 C-N-CA 122.387 2.058 . . . . 6.66 111.843 179.73 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 67' ' ' GLU . . . . . 0.566 ' O ' ' OG1' ' A' ' 70' ' ' THR . 13.5 pt-20 -70.48 -35.31 73.21 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.121 -0.491 . . . . 7.44 110.439 179.824 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 68' ' ' PHE . . . . . . . . . . . . . 54.0 t80 -46.69 -27.16 1.09 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.165 -0.47 . . . . 8.58 110.392 179.881 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 69' ' ' LEU . . . . . 0.463 HD23 ' CD2' ' A' ' 12' ' ' PHE . 0.6 OUTLIER -83.61 -36.47 23.86 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.131 -0.486 . . . . 9.43 110.149 179.456 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 70' ' ' THR . . . . . 0.566 ' OG1' ' O ' ' A' ' 67' ' ' GLU . 30.6 p -61.85 -51.4 68.37 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.038 -0.528 . . . . 7.53 110.503 179.962 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 71' ' ' MET . . . . . 0.523 ' C ' ' SD ' ' A' ' 71' ' ' MET . 2.0 tmt? -48.33 -45.77 35.69 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.154 -0.476 . . . . 11.86 110.472 179.954 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 72' ' ' MET . . . . . . . . . . . . . 43.1 mtp -73.53 -47.56 39.92 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.162 -0.472 . . . . 22.32 110.522 179.988 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -56.67 -48.93 76.54 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.174 -0.466 . . . . 9.15 110.523 -179.982 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 50.5 ttm-85 -45.32 -46.64 13.01 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.214 -0.448 . . . . 13.8 110.51 -179.943 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 5.7 tttp -48.6 -41.86 32.17 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.222 -0.444 . . . . 25.18 110.556 179.982 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 76' ' ' MET . . . . . . . . . . . . . 4.9 ttm -74.6 -23.15 58.68 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.194 -0.457 . . . . 34.79 110.599 179.958 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 9.8 tttp -105.49 17.18 24.31 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.208 -0.451 . . . . 37.65 110.566 179.986 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 78' ' ' ASP . . . . . 0.458 ' CG ' ' H ' ' A' ' 79' ' ' THR . 19.3 t0 -146.28 -160.51 1.16 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.228 -0.442 . . . . 42.58 110.537 -179.956 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 79' ' ' THR . . . . . 0.458 ' H ' ' CG ' ' A' ' 78' ' ' ASP . 0.0 OUTLIER -87.76 160.01 18.23 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.223 -0.444 . . . . 38.4 110.559 179.977 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -114.08 146.56 40.07 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.217 -0.447 . . . . 37.51 110.536 179.995 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 1.4 m -105.16 150.14 25.32 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.193 -0.458 . . . . 33.12 110.612 179.985 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 82' ' ' GLU . . . . . 0.588 ' O ' ' N ' ' A' ' 85' ' ' ILE . 2.4 mm-40 -84.97 -37.2 20.75 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.209 -0.45 . . . . 34.28 110.605 179.996 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 83' ' ' GLU . . . . . 0.494 ' OE2' ' C ' ' A' ' 83' ' ' GLU . 0.4 OUTLIER -43.09 -35.22 1.24 Allowed 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.235 -0.439 . . . . 30.91 110.582 179.978 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 2.2 pt-20 -82.4 -20.37 37.25 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.275 -0.421 . . . . 22.86 110.58 -179.961 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 85' ' ' ILE . . . . . 0.588 ' N ' ' O ' ' A' ' 82' ' ' GLU . 42.0 mt -79.21 -35.3 17.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.218 -0.446 . . . . 19.17 110.578 -179.966 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 86' ' ' ARG . . . . . 0.413 ' NE ' ' HA ' ' A' ' 83' ' ' GLU . 0.0 OUTLIER -76.72 -53.24 8.23 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.182 -0.463 . . . . 26.85 110.573 -179.982 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 87' ' ' GLU . . . . . 0.626 ' O ' ' CG2' ' A' ' 91' ' ' VAL . 3.4 mm-40 -60.37 -60.4 3.87 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.166 -0.47 . . . . 16.48 110.625 -179.973 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -50.21 -33.32 19.0 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.218 -0.447 . . . . 9.91 110.617 -179.99 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 89' ' ' PHE . . . . . 0.476 ' C ' ' CD2' ' A' ' 89' ' ' PHE . 16.8 t80 -79.12 -61.5 1.99 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.249 -0.432 . . . . 8.53 110.571 -179.9 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 2.0 ptm180 -63.55 -19.06 64.48 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.183 -0.462 . . . . 17.58 110.657 -179.908 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 91' ' ' VAL . . . . . 0.626 ' CG2' ' O ' ' A' ' 87' ' ' GLU . 4.6 t -62.15 -36.96 77.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.192 -0.458 . . . . 7.82 110.672 -179.931 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 92' ' ' PHE . . . . . 0.461 ' CD2' HG11 ' A' ' 91' ' ' VAL . 8.2 m-85 -92.01 -13.68 30.61 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.265 -0.425 . . . . 9.11 110.678 -179.911 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 93' ' ' ASP . . . . . 0.575 ' OD2' ' O ' ' A' ' 99' ' ' TYR . 13.3 t70 -94.02 68.74 3.81 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.334 -0.394 . . . . 11.11 110.644 -179.932 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 4.8 tttp -49.2 -25.47 2.26 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.184 -0.462 . . . . 14.57 110.984 -179.724 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 95' ' ' ASP . . . . . 0.506 ' OD1' ' N ' ' A' ' 95' ' ' ASP . 0.3 OUTLIER -75.34 -14.57 60.49 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.833 0.349 . . . . 10.2 110.665 -179.837 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 60.35 9.68 13.12 Favored Glycine 0 CA--C 1.525 0.694 0 N-CA-C 111.067 -0.813 . . . . 6.24 111.067 -179.987 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 97' ' ' ASN . . . . . 0.685 ' O ' ' CE1' ' A' ' 99' ' ' TYR . 32.7 p-10 -69.11 -2.33 9.95 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.921 0.391 . . . . 7.56 110.318 179.801 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 98' ' ' GLY . . . . . 0.476 ' C ' ' CD2' ' A' ' 99' ' ' TYR . . . 66.47 10.88 55.19 Favored Glycine 0 CA--C 1.524 0.644 0 N-CA-C 110.964 -0.855 . . . . 7.08 110.964 179.961 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 99' ' ' TYR . . . . . 0.685 ' CE1' ' O ' ' A' ' 97' ' ' ASN . 1.1 m-85 -128.55 136.0 50.15 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.779 0.323 . . . . 9.0 110.579 179.967 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 41.9 mt -121.3 113.14 38.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.259 -0.428 . . . . 9.29 110.494 179.911 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 101' ' ' SER . . . . . 0.601 ' HG ' ' NE2' ' A' ' 135' ' ' GLN . 16.1 m -89.19 151.72 22.01 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.188 -0.46 . . . . 7.02 110.675 -179.894 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -49.14 -19.41 0.44 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.072 -0.513 . . . . 6.41 110.541 -179.979 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -74.45 -51.97 13.37 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.267 -0.424 . . . . 5.01 110.622 179.959 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 54.0 mt-10 -65.38 -50.63 64.79 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.189 -0.46 . . . . 6.84 110.585 179.979 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 105' ' ' LEU . . . . . . . . . . . . . 28.9 tp -47.65 -49.39 27.54 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.265 -0.425 . . . . 4.99 110.507 -179.978 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 106' ' ' ARG . . . . . 0.572 ' O ' ' OG1' ' A' ' 110' ' ' THR . 4.9 ttp-105 -67.14 -25.21 66.07 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.216 -0.447 . . . . 15.24 110.524 -179.957 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 107' ' ' HIS . . . . . 0.416 ' HD1' ' HA ' ' A' ' 107' ' ' HIS . 1.3 t60 -62.45 -51.93 65.55 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.195 -0.457 . . . . 15.69 110.499 179.98 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 108' ' ' VAL . . . . . 0.493 ' O ' ' N ' ' A' ' 112' ' ' LEU . 26.7 t -62.99 -62.77 1.02 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.195 -0.457 . . . . 12.28 110.544 -179.993 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 109' ' ' MET . . . . . 0.572 ' O ' ' O ' ' A' ' 114' ' ' GLU . 22.2 mmt -48.24 -34.11 9.72 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.203 -0.453 . . . . 9.53 110.712 -179.966 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 110' ' ' THR . . . . . 0.572 ' OG1' ' O ' ' A' ' 106' ' ' ARG . 17.0 m -62.64 -54.49 38.69 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.279 -0.419 . . . . 11.87 110.661 -179.898 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 111' ' ' ASN . . . . . . . . . . . . . 6.1 m120 -83.49 -10.65 58.21 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.255 -0.43 . . . . 21.65 110.63 -179.961 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 112' ' ' LEU . . . . . 0.493 ' N ' ' O ' ' A' ' 108' ' ' VAL . 21.1 tp -65.86 -13.15 59.05 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.209 -0.45 . . . . 19.55 110.562 -179.98 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . 113.91 -5.82 23.95 Favored Glycine 0 CA--C 1.525 0.668 0 N-CA-C 110.989 -0.844 . . . . 19.66 110.989 179.92 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 114' ' ' GLU . . . . . 0.572 ' O ' ' O ' ' A' ' 109' ' ' MET . 5.3 mt-10 -124.33 115.62 21.29 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.789 0.328 . . . . 25.55 110.522 179.949 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 37.7 mttt -79.84 118.17 21.38 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.273 -0.421 . . . . 23.26 110.513 -179.987 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 116' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -111.23 147.79 34.25 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.184 -0.462 . . . . 23.07 110.543 179.994 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 117' ' ' THR . . . . . 0.631 ' HG1' ' H ' ' A' ' 120' ' ' GLU . 6.3 p -83.18 148.78 27.24 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.202 -0.454 . . . . 19.41 110.575 179.969 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 118' ' ' ASP . . . . . 0.518 ' O ' ' CG ' ' A' ' 122' ' ' ASP . 0.5 OUTLIER -69.61 -34.84 74.67 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.208 -0.451 . . . . 18.08 110.565 -179.991 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 119' ' ' GLU . . . . . . . . . . . . . 4.1 tm-20 -63.17 -50.82 68.85 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.218 -0.446 . . . . 20.16 110.576 179.982 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 120' ' ' GLU . . . . . 0.631 ' H ' ' HG1' ' A' ' 117' ' ' THR . 17.7 tt0 -61.98 -48.8 78.74 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.205 -0.452 . . . . 14.19 110.584 -179.963 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 121' ' ' VAL . . . . . . . . . . . . . 85.4 t -64.69 -38.11 81.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.18 -0.463 . . . . 14.97 110.561 179.952 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 122' ' ' ASP . . . . . 0.518 ' CG ' ' O ' ' A' ' 118' ' ' ASP . 57.7 m-20 -73.79 -40.59 63.31 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.185 -0.461 . . . . 20.12 110.585 -179.988 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 123' ' ' GLU . . . . . . . . . . . . . 20.2 tt0 -58.29 -51.96 67.57 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.243 -0.435 . . . . 15.72 110.539 179.976 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 124' ' ' MET . . . . . 0.528 ' SD ' ' O ' ' A' ' 124' ' ' MET . 0.0 OUTLIER -60.9 -52.92 62.98 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.229 -0.441 . . . . 9.75 110.6 179.971 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 125' ' ' ILE . . . . . 0.413 ' CG2' ' OD2' ' A' ' 129' ' ' ASP . 39.4 mt -61.66 -62.73 1.0 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.208 -0.451 . . . . 11.99 110.59 179.956 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 126' ' ' ARG . . . . . . . . . . . . . 28.3 ttp180 -44.6 -25.86 0.31 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.249 -0.432 . . . . 27.23 110.533 179.978 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 127' ' ' GLU . . . . . . . . . . . . . 74.8 tt0 -78.97 -47.29 16.59 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.217 -0.447 . . . . 15.5 110.5 -179.957 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 128' ' ' ALA . . . . . . . . . . . . . . . -75.14 -10.85 59.84 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.205 -0.452 . . . . 10.5 110.606 179.93 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 129' ' ' ASP . . . . . 0.563 ' OD1' ' O ' ' A' ' 135' ' ' GLN . 70.3 m-20 -74.06 92.83 2.19 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.2 -0.455 . . . . 10.86 110.568 179.983 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 130' ' ' ILE . . . . . . . . . . . . . 39.8 mt -49.02 -42.11 14.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.179 -0.464 . . . . 12.26 110.582 -179.978 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 131' ' ' ASP . . . . . 0.573 ' OD1' ' OD1' ' A' ' 133' ' ' ASP . 3.7 p30 -86.07 -17.73 34.35 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.278 -0.419 . . . . 7.79 110.62 179.968 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 132' ' ' GLY . . . . . . . . . . . . . . . 58.81 56.32 25.97 Favored Glycine 0 CA--C 1.525 0.67 0 N-CA-C 110.928 -0.869 . . . . 3.93 110.928 -179.998 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 133' ' ' ASP . . . . . 0.573 ' OD1' ' OD1' ' A' ' 131' ' ' ASP . 1.2 p30 -101.01 -15.73 17.37 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.832 0.349 . . . . 9.56 110.611 -179.984 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 134' ' ' GLY . . . . . . . . . . . . . . . 104.92 12.19 28.4 Favored Glycine 0 CA--C 1.525 0.659 0 N-CA-C 110.937 -0.865 . . . . 7.32 110.937 -179.96 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 135' ' ' GLN . . . . . 0.601 ' NE2' ' HG ' ' A' ' 101' ' ' SER . 30.8 mt-30 -148.73 167.9 24.32 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.73 0.3 . . . . 22.05 110.442 -179.946 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 136' ' ' VAL . . . . . . . . . . . . . 35.3 t -121.63 100.3 8.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.301 -0.409 . . . . 10.34 110.599 179.962 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 137' ' ' ASN . . . . . 0.666 ' ND2' ' OE1' ' A' ' 140' ' ' GLU . 1.1 p-10 -71.23 162.49 29.34 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.158 -0.474 . . . . 12.02 110.657 -179.963 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 138' ' ' TYR . . . . . 0.47 ' CZ ' ' CD2' ' A' ' 89' ' ' PHE . 0.1 OUTLIER -51.39 -34.97 36.71 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.149 -0.478 . . . . 8.75 110.42 179.991 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 139' ' ' GLU . . . . . . . . . . . . . 1.4 tp10 -59.85 -43.28 94.72 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.172 -0.467 . . . . 22.33 110.581 179.978 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 140' ' ' GLU . . . . . 0.666 ' OE1' ' ND2' ' A' ' 137' ' ' ASN . 1.3 mp0 -64.51 -37.42 87.47 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.163 -0.471 . . . . 13.45 110.473 -179.984 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 141' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -56.99 -31.23 64.85 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.186 -0.461 . . . . 8.25 110.502 179.92 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 142' ' ' VAL . . . . . . . . . . . . . 47.6 t -68.5 -21.53 26.29 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.169 -0.469 . . . . 10.15 110.544 179.988 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 143' ' ' GLN . . . . . . . . . . . . . 19.7 mm100 -81.23 -31.34 33.9 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.214 -0.448 . . . . 8.24 110.519 -179.993 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 144' ' ' MET . . . . . 0.439 ' SD ' ' O ' ' A' ' 144' ' ' MET . 1.9 tmt? -79.88 -9.36 59.66 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.245 -0.434 . . . . 6.68 110.589 179.998 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 145' ' ' MET . . . . . 0.428 ' SD ' ' O ' ' A' ' 145' ' ' MET . 0.0 OUTLIER -84.64 -10.49 57.28 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.213 -0.449 . . . . 13.37 110.61 179.982 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 146' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -107.96 1.21 22.42 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.202 -0.454 . . . . 10.78 110.582 179.992 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 147' ' ' ALA . . . . . . . . . . . . . . . -64.2 104.8 0.79 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.158 -0.474 . . . . 18.52 110.56 -179.99 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 148' ' ' LYS . . . . . 0.565 ' CB ' ' HZ2' ' A' ' 148' ' ' LYS . 0.6 OUTLIER . . . . . 0 C--O 1.22 -0.481 0 CA-C-O 118.046 -0.978 . . . . 23.42 110.61 -179.988 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 401' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 402' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 403' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 404' ' ' ' TB' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 34.8 tp60 . . . . . 0 C--O 1.231 0.123 0 CA-C-O 120.827 0.346 . . . . 23.46 110.538 . . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 4' ' ' LEU . . . . . 0.515 HD23 ' CG1' ' A' ' 9' ' ' ILE . 1.1 tp -76.34 126.99 31.99 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.187 -0.461 . . . . 14.38 110.605 -179.973 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -74.51 148.63 40.78 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.193 -0.458 . . . . 7.34 110.546 179.963 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 6' ' ' GLU . . . . . 0.407 ' H ' ' HG3' ' A' ' 6' ' ' GLU . 24.1 mt-10 -52.87 -43.55 66.19 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.196 -0.457 . . . . 7.12 110.634 -179.975 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 1.2 tm-20 -51.42 -27.49 10.27 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.216 -0.447 . . . . 6.85 110.552 179.962 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 67.6 mt-30 -87.94 -43.85 11.46 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.237 -0.438 . . . . 15.1 110.575 -179.985 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 9' ' ' ILE . . . . . 0.515 ' CG1' HD23 ' A' ' 4' ' ' LEU . 97.6 mt -59.0 -30.66 43.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.134 -0.485 . . . . 4.72 110.638 179.953 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -70.55 -59.45 2.83 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.212 -0.449 . . . . 6.68 110.516 -179.983 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 12.6 tt0 -44.07 -40.86 5.15 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.211 -0.45 . . . . 18.49 110.601 -179.995 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 8.0 m-85 -57.75 -42.64 84.35 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.207 -0.452 . . . . 14.89 110.556 -179.988 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 8.8 ttmm -52.01 -40.19 60.64 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.193 -0.458 . . . . 18.39 110.592 179.998 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 1.1 tp10 -59.46 -39.65 84.36 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.188 -0.46 . . . . 22.76 110.576 179.984 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -61.83 -45.28 94.52 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.166 -0.47 . . . . 5.67 110.568 179.968 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 16' ' ' PHE . . . . . 0.658 ' CZ ' HD11 ' A' ' 27' ' ' ILE . 4.0 t80 -54.48 -60.16 3.72 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.28 -0.418 . . . . 13.28 110.548 -179.988 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 1.3 m -47.39 -21.74 0.35 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.21 -0.45 . . . . 12.16 110.526 179.994 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 11.9 tp -86.75 -29.13 22.6 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.195 -0.457 . . . . 17.89 110.536 -179.989 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 19' ' ' PHE . . . . . 0.465 ' N ' ' O ' ' A' ' 16' ' ' PHE . 25.1 m-85 -90.07 -50.39 6.03 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.248 -0.433 . . . . 9.14 110.554 -180.0 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 20' ' ' ASP . . . . . 0.473 ' HB2' ' CE2' ' A' ' 16' ' ' PHE . 8.7 t0 -91.91 86.94 6.03 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.26 -0.427 . . . . 7.47 110.558 179.967 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -74.95 -19.62 60.03 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.15 -0.477 . . . . 27.75 110.697 -179.892 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 22' ' ' ASP . . . . . 0.557 ' OD1' ' OE2' ' A' ' 31' ' ' GLU . 4.7 m-20 -82.17 -15.46 53.18 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.264 -0.425 . . . . 14.13 110.718 -179.869 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 59.6 37.47 92.3 Favored Glycine 0 CA--C 1.525 0.711 0 N-CA-C 110.985 -0.846 . . . . 11.51 110.985 179.981 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 72.0 m-20 -81.71 -27.48 33.9 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.768 0.318 . . . . 14.28 110.607 -179.993 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 105.23 4.42 41.09 Favored Glycine 0 CA--C 1.524 0.644 0 N-CA-C 110.949 -0.86 . . . . 9.47 110.949 -179.996 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 35.0 p -148.7 138.13 21.87 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.823 0.344 . . . . 16.41 110.572 179.994 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 27' ' ' ILE . . . . . 0.658 HD11 ' CZ ' ' A' ' 16' ' ' PHE . 7.4 mm -91.36 122.29 42.63 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.152 -0.476 . . . . 8.03 110.604 -179.99 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 63.1 p -105.63 172.59 6.72 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.225 -0.443 . . . . 7.8 110.574 -179.946 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 29' ' ' THR . . . . . 0.938 HG23 HD12 ' A' ' 52' ' ' ILE . 22.2 p -73.63 -37.6 65.31 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.212 -0.449 . . . . 10.04 110.618 179.987 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 30' ' ' LYS . . . . . 0.539 ' O ' ' OG1' ' A' ' 34' ' ' THR . 17.7 ttpp -58.27 -34.74 70.84 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.203 -0.453 . . . . 16.38 110.55 -179.973 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 31' ' ' GLU . . . . . 0.561 ' O ' HG23 ' A' ' 35' ' ' VAL . 2.1 mm-40 -85.42 -34.68 21.65 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.24 -0.436 . . . . 5.59 110.555 179.981 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 32' ' ' LEU . . . . . 0.439 ' HB3' HD11 ' A' ' 48' ' ' LEU . 15.6 tp -62.48 -55.89 23.32 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.126 -0.488 . . . . 7.72 110.626 -179.977 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 33' ' ' GLY . . . . . 0.523 ' O ' ' N ' ' A' ' 37' ' ' ARG . . . -57.31 -48.54 79.59 Favored Glycine 0 CA--C 1.525 0.675 0 N-CA-C 110.921 -0.872 . . . . 6.93 110.921 179.979 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 34' ' ' THR . . . . . 0.539 ' OG1' ' O ' ' A' ' 30' ' ' LYS . 0.1 OUTLIER -52.68 -38.64 60.9 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.808 0.337 . . . . 9.63 110.585 179.996 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 35' ' ' VAL . . . . . 0.561 HG23 ' O ' ' A' ' 31' ' ' GLU . 73.4 t -71.45 -42.23 73.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.218 -0.447 . . . . 7.07 110.609 -179.97 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 36' ' ' MET . . . . . . . . . . . . . 9.3 mmt -77.77 -24.1 49.04 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.224 -0.443 . . . . 10.12 110.628 179.957 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 37' ' ' ARG . . . . . 0.523 ' N ' ' O ' ' A' ' 33' ' ' GLY . 49.9 ttm-85 -66.66 -33.53 75.85 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.202 -0.454 . . . . 9.87 110.576 -179.992 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 5.1 t -84.61 -12.85 53.2 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.161 -0.472 . . . . 8.15 110.54 -179.98 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 39' ' ' LEU . . . . . 0.437 ' HA ' HD23 ' A' ' 39' ' ' LEU . 16.3 mt -79.8 4.97 14.81 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.184 -0.462 . . . . 12.78 110.589 -179.998 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 86.59 9.41 75.28 Favored Glycine 0 CA--C 1.525 0.696 0 N-CA-C 110.91 -0.876 . . . . 9.6 110.91 179.985 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 21.0 tt0 -101.56 146.7 27.33 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 120.817 0.341 . . . . 20.35 110.665 179.998 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 61.3 t30 -126.81 80.04 71.35 Favored Pre-proline 0 C--N 1.329 -0.288 0 CA-C-N 116.137 -0.483 . . . . 10.22 110.504 -179.977 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 61.1 Cg_endo -78.32 146.91 22.59 Favored 'Trans proline' 0 C--N 1.305 -1.711 0 C-N-CA 122.819 2.346 . . . . 8.63 112.311 -179.9 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 23.1 p -78.87 168.66 19.39 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.095 -0.502 . . . . 4.83 110.456 179.916 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 3.2 mm-40 -65.94 -36.98 84.85 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.238 -0.437 . . . . 16.78 110.553 -179.987 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -70.23 -24.85 63.16 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.162 -0.472 . . . . 4.8 110.613 179.995 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 47' ' ' GLU . . . . . 0.56 ' O ' ' N ' ' A' ' 51' ' ' MET . 3.9 tt0 -79.73 -58.23 3.28 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.141 -0.482 . . . . 6.18 110.546 179.989 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 48' ' ' LEU . . . . . 0.45 HD22 ' HA ' ' A' ' 48' ' ' LEU . 0.1 OUTLIER -50.51 -54.78 19.68 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.21 -0.45 . . . . 6.65 110.537 179.961 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 49' ' ' GLN . . . . . 0.506 ' O ' HG22 ' A' ' 52' ' ' ILE . 28.5 mm-40 -58.74 -50.67 73.04 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.212 -0.449 . . . . 7.05 110.508 -179.997 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 50' ' ' ASP . . . . . 0.527 ' OD1' ' O ' ' A' ' 50' ' ' ASP . 38.0 t0 -67.21 -25.13 65.96 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.221 -0.445 . . . . 6.72 110.526 179.955 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 51' ' ' MET . . . . . 0.56 ' N ' ' O ' ' A' ' 47' ' ' GLU . 7.1 tpt -63.78 -50.31 69.51 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.2 -0.454 . . . . 13.6 110.567 179.983 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 52' ' ' ILE . . . . . 0.938 HD12 HG23 ' A' ' 29' ' ' THR . 6.5 tt -52.53 -36.94 22.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.232 -0.44 . . . . 8.71 110.483 179.949 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 53' ' ' ASN . . . . . 0.432 ' N ' ' CG2' ' A' ' 52' ' ' ILE . 53.5 t30 -51.77 -45.11 63.63 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.195 -0.457 . . . . 9.04 110.469 179.907 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 39.1 mt-10 -51.12 -45.62 61.65 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.23 -0.441 . . . . 23.58 110.512 -179.971 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 55' ' ' VAL . . . . . 0.772 HG22 ' HG3' ' A' ' 71' ' ' MET . 42.1 t -87.54 -11.05 10.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.229 -0.441 . . . . 7.6 110.532 179.959 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 56' ' ' ASP . . . . . 0.547 ' OD1' ' OD1' ' A' ' 60' ' ' ASP . 10.7 t0 -107.59 90.94 3.45 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.249 -0.432 . . . . 12.55 110.577 179.998 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -80.57 -32.4 36.6 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.166 -0.47 . . . . 15.13 110.563 -179.999 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 2.7 m-20 -80.7 -9.19 59.81 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.231 -0.44 . . . . 14.32 110.563 180.0 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 55.47 38.48 70.31 Favored Glycine 0 CA--C 1.524 0.624 0 N-CA-C 110.954 -0.859 . . . . 13.64 110.954 -179.983 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 60' ' ' ASP . . . . . 0.547 ' OD1' ' OD1' ' A' ' 56' ' ' ASP . 0.1 OUTLIER -79.8 -23.17 42.3 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.787 0.327 . . . . 13.27 110.512 -179.994 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 105.7 -2.61 39.09 Favored Glycine 0 CA--C 1.525 0.68 0 N-CA-C 110.931 -0.868 . . . . 11.65 110.931 -179.982 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 62' ' ' THR . . . . . 0.401 ' O ' HD13 ' A' ' 63' ' ' ILE . 0.0 OUTLIER -143.75 175.09 10.25 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.765 0.317 . . . . 11.55 110.61 179.959 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 63' ' ' ILE . . . . . 0.769 HD12 HG12 ' A' ' 55' ' ' VAL . 48.9 mm -124.18 141.03 45.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.2 -0.455 . . . . 10.06 110.628 -179.913 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 24.6 p-10 -117.77 -172.68 2.29 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.184 -0.462 . . . . 11.33 110.439 179.893 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 65' ' ' PHE . . . . . 0.433 ' CB ' ' HD3' ' A' ' 66' ' ' PRO . 0.2 OUTLIER -67.48 -53.87 21.08 Favored Pre-proline 0 C--N 1.331 -0.225 0 CA-C-N 116.528 -0.306 . . . . 7.4 110.836 -179.605 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 66' ' ' PRO . . . . . 0.433 ' HD3' ' CB ' ' A' ' 65' ' ' PHE . 44.8 Cg_exo -51.33 -40.91 61.07 Favored 'Trans proline' 0 C--N 1.309 -1.55 0 C-N-CA 122.506 2.137 . . . . 6.66 112.059 179.919 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 67' ' ' GLU . . . . . 0.537 ' CD ' ' O ' ' A' ' 55' ' ' VAL . 16.2 tt0 -83.73 -29.99 27.07 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.054 -0.521 . . . . 7.44 110.747 -179.824 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 68' ' ' PHE . . . . . . . . . . . . . 31.6 t80 -64.92 -36.31 83.97 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.265 -0.425 . . . . 8.58 110.653 -179.927 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 6.5 mp -83.47 -44.36 14.81 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.364 -0.38 . . . . 9.43 110.323 179.617 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 35.0 m -51.89 -46.04 64.4 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.115 -0.493 . . . . 7.53 110.489 179.992 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 71' ' ' MET . . . . . 0.772 ' HG3' HG22 ' A' ' 55' ' ' VAL . 0.1 OUTLIER -53.44 -46.8 70.0 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.157 -0.474 . . . . 11.86 110.597 179.889 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 72' ' ' MET . . . . . 0.485 ' N ' ' SD ' ' A' ' 71' ' ' MET . 79.0 mmm -74.95 -49.69 19.23 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.148 -0.478 . . . . 22.32 110.583 -179.999 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -57.59 -46.14 84.38 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.206 -0.452 . . . . 9.15 110.606 -179.901 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 74' ' ' ARG . . . . . 0.526 ' O ' ' N ' ' A' ' 77' ' ' LYS . 27.7 mtm180 -45.33 -52.56 9.65 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.262 -0.426 . . . . 13.8 110.594 -179.966 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 42.6 mttm -45.41 -40.29 7.96 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.226 -0.443 . . . . 25.18 110.583 179.96 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 76' ' ' MET . . . . . . . . . . . . . 20.9 mmm -72.18 -18.72 61.84 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.18 -0.463 . . . . 34.79 110.631 -179.991 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 77' ' ' LYS . . . . . 0.535 ' O ' ' OD2' ' A' ' 78' ' ' ASP . 13.9 mmmt -113.07 39.99 2.43 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.199 -0.455 . . . . 37.65 110.625 179.986 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 78' ' ' ASP . . . . . 0.535 ' OD2' ' O ' ' A' ' 77' ' ' LYS . 50.2 m-20 -170.31 -177.3 2.43 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.216 -0.447 . . . . 42.58 110.591 -180.0 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 79' ' ' THR . . . . . 0.415 HG22 ' H ' ' A' ' 79' ' ' THR . 0.1 OUTLIER -72.24 161.79 30.36 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.213 -0.449 . . . . 38.4 110.611 179.996 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 32.0 t70 -128.75 152.27 48.62 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.228 -0.442 . . . . 37.51 110.598 179.95 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -114.83 118.21 32.9 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.193 -0.458 . . . . 33.12 110.584 -179.999 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 82' ' ' GLU . . . . . 0.403 ' HG3' ' H ' ' A' ' 82' ' ' GLU . 5.0 mt-10 -56.33 -10.45 0.91 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.268 -0.424 . . . . 34.28 110.567 179.987 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 15.6 tt0 -66.16 -42.3 89.17 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.238 -0.437 . . . . 30.91 110.538 179.99 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 13.6 tp10 -67.51 -34.55 77.36 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.207 -0.451 . . . . 22.86 110.571 179.977 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 85' ' ' ILE . . . . . . . . . . . . . 10.3 mt -72.08 -21.48 20.66 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.233 -0.439 . . . . 19.17 110.635 179.993 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 45.6 mtt180 -79.4 -55.57 4.96 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.167 -0.469 . . . . 26.85 110.565 179.97 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 87' ' ' GLU . . . . . 0.817 ' O ' HG23 ' A' ' 91' ' ' VAL . 0.3 OUTLIER -56.41 -61.39 2.44 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.22 -0.445 . . . . 16.48 110.56 -179.962 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -46.11 -49.31 16.77 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.227 -0.442 . . . . 9.91 110.602 -179.951 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 89' ' ' PHE . . . . . 0.678 ' CD2' ' CZ ' ' A' ' 138' ' ' TYR . 24.7 t80 -63.62 -59.12 5.02 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.18 -0.463 . . . . 8.53 110.537 179.958 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 61.7 ttt-85 -63.58 -18.49 63.94 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.157 -0.474 . . . . 17.58 110.614 180.0 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 91' ' ' VAL . . . . . 0.817 HG23 ' O ' ' A' ' 87' ' ' GLU . 7.1 t -69.89 -20.84 23.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.164 -0.471 . . . . 7.82 110.7 -179.972 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 92' ' ' PHE . . . . . 0.407 ' CD1' HG11 ' A' ' 108' ' ' VAL . 12.1 m-85 -95.43 -31.67 13.27 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.29 -0.414 . . . . 9.11 110.672 -179.883 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 93' ' ' ASP . . . . . 0.491 ' OD2' ' N ' ' A' ' 97' ' ' ASN . 15.6 t70 -82.77 68.73 9.36 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.269 -0.423 . . . . 11.11 110.719 -179.829 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 17.4 tttt -45.79 -18.28 0.04 OUTLIER 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.141 -0.481 . . . . 14.57 111.215 -179.742 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 95' ' ' ASP . . . . . 0.534 ' OD1' ' OE2' ' A' ' 104' ' ' GLU . 0.0 OUTLIER -75.09 -8.71 57.31 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-O 120.898 0.38 . . . . 10.2 110.653 -179.764 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 60.2 9.53 11.87 Favored Glycine 0 CA--C 1.525 0.684 0 N-CA-C 110.855 -0.898 . . . . 6.24 110.855 -179.894 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 97' ' ' ASN . . . . . 0.54 ' ND2' ' O ' ' A' ' 97' ' ' ASN . 1.7 t-20 -83.7 -20.04 34.19 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.854 0.359 . . . . 7.56 110.368 179.871 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . 82.99 30.04 32.7 Favored Glycine 0 CA--C 1.525 0.687 0 N-CA-C 111.092 -0.803 . . . . 7.08 111.092 179.844 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 99' ' ' TYR . . . . . 0.665 ' CE2' ' OD1' ' A' ' 137' ' ' ASN . 28.9 m-85 -130.78 134.82 47.19 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.826 0.346 . . . . 9.0 110.622 179.889 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 77.1 mt -122.23 99.31 6.77 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.257 0 CA-C-N 116.119 -0.491 . . . . 9.29 110.667 -179.987 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 101' ' ' SER . . . . . 0.492 ' O ' ' N ' ' A' ' 103' ' ' ALA . 41.7 m -88.44 151.69 22.39 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.247 -0.433 . . . . 7.02 110.595 -179.945 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -42.77 -20.75 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.124 -0.489 . . . . 6.41 110.641 -179.9 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 103' ' ' ALA . . . . . 0.492 ' N ' ' O ' ' A' ' 101' ' ' SER . . . -83.35 -60.05 2.26 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.26 -0.427 . . . . 5.01 110.647 179.97 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 104' ' ' GLU . . . . . 0.534 ' OE2' ' OD1' ' A' ' 95' ' ' ASP . 47.5 mt-10 -50.59 -48.2 57.78 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.205 -0.452 . . . . 6.84 110.574 179.968 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 105' ' ' LEU . . . . . 0.537 HD23 HG13 ' A' ' 121' ' ' VAL . 9.1 tp -53.79 -42.1 67.96 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.218 -0.446 . . . . 4.99 110.545 -179.952 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 106' ' ' ARG . . . . . 0.671 ' HG3' HG11 ' A' ' 121' ' ' VAL . 18.9 mtp-105 -71.25 -19.32 62.37 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.232 -0.44 . . . . 15.24 110.594 -179.988 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 107' ' ' HIS . . . . . . . . . . . . . 1.2 t60 -73.68 -46.34 47.0 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.212 -0.449 . . . . 15.69 110.678 -179.925 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 108' ' ' VAL . . . . . 0.419 ' C ' ' N ' ' A' ' 110' ' ' THR . 58.4 t -81.61 -61.07 1.86 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.225 -0.443 . . . . 12.28 110.669 -179.876 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 109' ' ' MET . . . . . . . . . . . . . 20.6 mmm -47.57 -17.72 0.1 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.23 -0.441 . . . . 9.53 110.664 -179.789 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 110' ' ' THR . . . . . 0.57 ' OG1' ' O ' ' A' ' 106' ' ' ARG . 1.4 m -79.99 -43.94 21.11 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.334 -0.394 . . . . 11.87 110.729 -179.905 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 111' ' ' ASN . . . . . . . . . . . . . 9.5 m-20 -61.57 -16.28 46.52 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.401 -0.363 . . . . 21.65 110.709 -179.836 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 3.8 mm? -49.93 -34.3 20.17 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.33 -0.396 . . . . 19.55 110.562 -179.985 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . 115.64 9.95 12.02 Favored Glycine 0 CA--C 1.525 0.664 0 N-CA-C 110.732 -0.947 . . . . 19.66 110.732 -179.718 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 114' ' ' GLU . . . . . 0.691 ' O ' HD23 ' A' ' 116' ' ' LEU . 7.3 pt-20 -124.39 129.23 50.32 Favored 'General case' 0 C--N 1.329 -0.29 0 N-CA-C 110.194 -0.299 . . . . 25.55 110.194 179.602 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 25.3 mtmt -78.93 116.83 19.49 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.809 0.338 . . . . 23.26 110.74 -179.884 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 116' ' ' LEU . . . . . 0.691 HD23 ' O ' ' A' ' 114' ' ' GLU . 0.2 OUTLIER -107.84 159.02 16.83 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.182 -0.463 . . . . 23.07 110.467 179.936 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 117' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -97.77 148.66 23.15 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.176 -0.465 . . . . 19.41 110.559 -179.983 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 118' ' ' ASP . . . . . 0.512 ' OD2' ' NH1' ' A' ' 106' ' ' ARG . 0.0 OUTLIER -70.49 -38.64 74.37 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.216 -0.447 . . . . 18.08 110.576 179.989 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 119' ' ' GLU . . . . . 0.494 ' O ' ' CD ' ' A' ' 123' ' ' GLU . 31.9 mt-10 -57.15 -31.47 65.4 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.215 -0.448 . . . . 20.16 110.567 179.986 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 120' ' ' GLU . . . . . . . . . . . . . 61.2 mt-10 -80.06 -60.07 2.48 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.197 -0.456 . . . . 14.19 110.576 179.975 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 121' ' ' VAL . . . . . 0.671 HG11 ' HG3' ' A' ' 106' ' ' ARG . 64.3 t -51.27 -51.98 21.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.161 -0.472 . . . . 14.97 110.543 -179.968 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 122' ' ' ASP . . . . . . . . . . . . . 42.8 m-20 -54.87 -38.28 67.31 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.168 -0.469 . . . . 20.12 110.534 -179.976 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 123' ' ' GLU . . . . . 0.661 ' O ' ' N ' ' A' ' 127' ' ' GLU . 26.6 mt-10 -70.77 -50.25 37.97 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.224 -0.444 . . . . 15.72 110.562 179.982 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 124' ' ' MET . . . . . . . . . . . . . 0.2 OUTLIER -52.75 -61.21 2.44 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.155 -0.475 . . . . 9.75 110.561 -179.947 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 125' ' ' ILE . . . . . 0.512 ' CG2' ' N ' ' A' ' 126' ' ' ARG . 10.3 tt -55.52 -41.0 61.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.175 -0.466 . . . . 11.99 110.585 179.999 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 126' ' ' ARG . . . . . 0.512 ' N ' ' CG2' ' A' ' 125' ' ' ILE . 7.4 tmm_? -79.42 -19.31 50.3 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.201 -0.454 . . . . 27.23 110.592 -179.986 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 127' ' ' GLU . . . . . 0.661 ' N ' ' O ' ' A' ' 123' ' ' GLU . 6.7 mm-40 -85.17 -19.45 31.73 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.261 -0.427 . . . . 15.5 110.56 -179.969 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 128' ' ' ALA . . . . . 0.401 ' O ' HD13 ' A' ' 130' ' ' ILE . . . -100.27 -31.13 11.51 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.238 -0.437 . . . . 10.5 110.591 179.948 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 129' ' ' ASP . . . . . 0.606 ' OD2' ' N ' ' A' ' 132' ' ' GLY . 30.3 t0 -60.82 94.81 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.154 -0.475 . . . . 10.86 110.601 -179.914 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 130' ' ' ILE . . . . . 0.81 ' H ' HD13 ' A' ' 130' ' ' ILE . 0.0 OUTLIER -48.46 -23.82 0.86 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.109 -0.496 . . . . 12.26 110.729 -179.733 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 131' ' ' ASP . . . . . 0.551 ' N ' ' OD2' ' A' ' 129' ' ' ASP . 0.0 OUTLIER -97.73 -18.13 19.0 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.397 -0.365 . . . . 7.79 110.596 179.972 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 132' ' ' GLY . . . . . 0.606 ' N ' ' OD2' ' A' ' 129' ' ' ASP . . . 62.0 55.57 27.37 Favored Glycine 0 CA--C 1.525 0.706 0 N-CA-C 110.833 -0.907 . . . . 3.93 110.833 -179.942 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 133' ' ' ASP . . . . . 0.466 ' H ' ' CG ' ' A' ' 129' ' ' ASP . 21.1 t0 -100.93 10.45 41.1 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.757 0.313 . . . . 9.56 110.64 -179.935 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 134' ' ' GLY . . . . . . . . . . . . . . . 72.18 -3.9 20.49 Favored Glycine 0 CA--C 1.525 0.669 0 N-CA-C 110.855 -0.898 . . . . 7.32 110.855 -179.944 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 135' ' ' GLN . . . . . 0.662 ' NE2' ' O ' ' A' ' 136' ' ' VAL . 1.5 tm0? -137.84 158.54 44.13 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.77 0.319 . . . . 22.05 110.39 179.931 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 136' ' ' VAL . . . . . 0.662 ' O ' ' NE2' ' A' ' 135' ' ' GLN . 13.6 t -108.04 134.27 50.39 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.283 -0.417 . . . . 10.34 110.626 -179.978 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 137' ' ' ASN . . . . . 0.665 ' OD1' ' CE2' ' A' ' 99' ' ' TYR . 33.9 m-20 -110.04 159.36 17.37 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.107 -0.497 . . . . 12.02 110.207 179.467 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 138' ' ' TYR . . . . . 0.678 ' CZ ' ' CD2' ' A' ' 89' ' ' PHE . 0.8 OUTLIER -54.69 -31.72 58.29 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.823 0.344 . . . . 8.75 110.396 179.864 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 139' ' ' GLU . . . . . . . . . . . . . 82.8 mt-10 -66.03 -42.56 89.44 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.157 -0.474 . . . . 22.33 110.501 179.879 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 140' ' ' GLU . . . . . . . . . . . . . 1.8 mt-10 -63.48 -38.92 92.97 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.151 -0.477 . . . . 13.45 110.375 179.96 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 141' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -50.05 -38.56 38.56 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.143 -0.481 . . . . 8.25 110.34 179.846 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 142' ' ' VAL . . . . . . . . . . . . . 88.7 t -73.52 -37.01 49.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.147 -0.479 . . . . 10.15 110.481 179.936 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 143' ' ' GLN . . . . . . . . . . . . . 17.9 mm100 -48.51 -54.87 12.68 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.178 -0.465 . . . . 8.24 110.492 179.986 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 144' ' ' MET . . . . . . . . . . . . . 31.4 ttp -49.1 -46.6 45.02 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.199 -0.455 . . . . 6.68 110.422 179.974 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 145' ' ' MET . . . . . . . . . . . . . 22.4 ttm . . . . . 0 C--N 1.329 -0.286 0 CA-C-N 116.141 -0.481 . . . . 13.37 110.518 179.902 . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 3' ' ' GLN . . . . . 0.756 HE21 ' N ' ' A' ' 3' ' ' GLN . 0.0 OUTLIER . . . . . 0 C--O 1.231 0.122 0 CA-C-O 120.794 0.331 . . . . 23.46 110.587 . . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 4' ' ' LEU . . . . . 0.431 ' O ' HD11 ' A' ' 9' ' ' ILE . 1.5 tp -83.95 127.83 34.13 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.21 -0.45 . . . . 14.38 110.567 179.999 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -66.38 148.57 51.68 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.197 -0.456 . . . . 7.34 110.604 179.995 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 86.9 mt-10 -51.72 -40.9 61.01 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.211 -0.45 . . . . 7.12 110.574 179.957 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 2.8 tp10 -51.49 -59.6 4.07 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.207 -0.451 . . . . 6.85 110.546 -179.964 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 6.6 mm100 -60.6 -47.01 88.1 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.175 -0.466 . . . . 15.1 110.56 -179.948 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 9' ' ' ILE . . . . . 0.431 HD11 ' O ' ' A' ' 4' ' ' LEU . 96.5 mt -53.85 -29.51 18.18 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.213 -0.449 . . . . 4.72 110.594 -179.994 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -75.04 -59.29 2.8 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.177 -0.465 . . . . 6.68 110.569 -179.973 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -49.07 -28.04 3.82 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.207 -0.452 . . . . 18.49 110.596 179.986 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 12' ' ' PHE . . . . . 0.799 ' HB3' HD21 ' A' ' 69' ' ' LEU . 2.1 m-85 -68.38 -49.58 59.11 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.198 -0.455 . . . . 14.89 110.54 179.999 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 7.2 tttm -46.86 -26.69 1.03 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.186 -0.461 . . . . 18.39 110.565 179.983 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 63.7 mm-40 -66.86 -46.35 75.31 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.139 -0.482 . . . . 22.76 110.506 179.909 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -52.88 -28.01 21.2 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.144 -0.48 . . . . 5.67 110.558 179.963 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 16' ' ' PHE . . . . . 0.475 ' CE2' ' CB ' ' A' ' 20' ' ' ASP . 14.3 t80 -70.74 -60.12 2.43 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.19 -0.459 . . . . 13.28 110.525 179.981 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 2.5 m -46.36 -21.51 0.17 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.208 -0.451 . . . . 12.16 110.512 179.936 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 18' ' ' LEU . . . . . 0.405 ' N ' ' C ' ' A' ' 16' ' ' PHE . 1.7 mm? -70.86 -46.19 63.09 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.094 -0.503 . . . . 17.89 110.521 179.973 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 65.1 m-85 -90.01 -50.28 6.11 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.217 -0.447 . . . . 9.14 110.535 179.9 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 20' ' ' ASP . . . . . 0.507 ' OD2' ' CD1' ' A' ' 27' ' ' ILE . 6.1 t70 -69.03 68.46 0.17 Allowed 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.221 -0.445 . . . . 7.47 110.566 -179.966 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 3.8 tttm -75.14 -19.58 59.82 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.17 -0.468 . . . . 27.75 110.617 -179.946 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 2.8 m-20 -85.32 -15.23 44.02 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.285 -0.416 . . . . 14.13 110.648 -179.937 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 55.64 34.76 60.88 Favored Glycine 0 CA--C 1.524 0.648 0 N-CA-C 110.939 -0.864 . . . . 11.51 110.939 179.976 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -82.54 -25.8 33.04 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.756 0.312 . . . . 14.28 110.599 -179.986 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 105.18 -4.97 41.41 Favored Glycine 0 CA--C 1.523 0.59 0 N-CA-C 110.92 -0.872 . . . . 9.47 110.92 -179.974 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 26' ' ' THR . . . . . 0.561 HG22 ' O ' ' A' ' 63' ' ' ILE . 0.2 OUTLIER -141.79 152.55 43.84 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.755 0.312 . . . . 16.41 110.52 -179.965 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 27' ' ' ILE . . . . . 0.507 ' CD1' ' OD2' ' A' ' 20' ' ' ASP . 4.6 mm -120.24 127.71 75.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.239 -0.437 . . . . 8.03 110.547 -179.942 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 28' ' ' THR . . . . . 0.412 ' OG1' ' N ' ' A' ' 29' ' ' THR . 0.1 OUTLIER -111.05 171.21 7.6 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.168 -0.469 . . . . 7.8 110.556 179.944 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 29' ' ' THR . . . . . 0.414 HG22 ' H ' ' A' ' 29' ' ' THR . 0.5 OUTLIER -67.59 -16.2 64.05 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.241 -0.436 . . . . 10.04 110.577 179.985 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -77.11 -38.28 52.49 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.168 -0.469 . . . . 16.38 110.595 -179.976 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 51.9 mt-10 -81.33 -31.59 33.41 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.21 -0.45 . . . . 5.59 110.533 180.0 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 32' ' ' LEU . . . . . 0.533 HD13 ' O ' ' A' ' 32' ' ' LEU . 0.2 OUTLIER -63.87 -59.82 4.05 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.149 -0.478 . . . . 7.72 110.545 179.978 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -45.42 -49.74 10.82 Favored Glycine 0 CA--C 1.525 0.673 0 N-CA-C 110.894 -0.882 . . . . 6.93 110.894 179.982 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -46.41 -41.46 13.74 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.8 0.333 . . . . 9.63 110.537 -179.983 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 89.2 t -60.75 -46.15 96.54 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.199 -0.455 . . . . 7.07 110.481 179.98 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 36' ' ' MET . . . . . . . . . . . . . 21.9 mmt -60.64 -30.88 70.14 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.225 -0.443 . . . . 10.12 110.553 179.929 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 1.2 tpt85 -62.78 -24.02 67.52 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.157 -0.474 . . . . 9.87 110.501 179.978 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 1.3 m -82.09 -23.44 35.74 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.166 -0.47 . . . . 8.15 110.484 179.957 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 9.7 mt -91.8 14.69 14.69 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.207 -0.451 . . . . 12.78 110.516 179.953 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 64.39 26.95 71.05 Favored Glycine 0 CA--C 1.525 0.664 0 N-CA-C 110.916 -0.874 . . . . 9.6 110.916 179.982 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 26.3 mt-30 -101.45 155.27 18.16 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.824 0.345 . . . . 20.35 110.587 -179.968 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 5.0 m-20 -127.71 81.21 70.66 Favored Pre-proline 0 C--N 1.329 -0.315 0 CA-C-N 116.208 -0.451 . . . . 10.22 110.5 -179.993 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 59.5 Cg_endo -77.93 144.41 21.53 Favored 'Trans proline' 0 C--N 1.306 -1.665 0 C-N-CA 122.76 2.307 . . . . 8.63 112.245 -179.912 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 44' ' ' THR . . . . . 0.411 ' O ' ' N ' ' A' ' 47' ' ' GLU . 16.5 p -94.1 151.34 19.57 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.125 -0.489 . . . . 4.83 110.586 179.996 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 13.3 tt0 -46.65 -48.77 19.92 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.23 -0.441 . . . . 16.78 110.547 179.997 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -58.7 -18.96 35.63 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.199 -0.455 . . . . 4.8 110.531 179.972 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 47' ' ' GLU . . . . . 0.411 ' N ' ' O ' ' A' ' 44' ' ' THR . 0.3 OUTLIER -82.51 -57.27 3.42 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.211 -0.449 . . . . 6.18 110.554 179.997 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 17.9 mt -58.01 -54.94 41.32 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.177 -0.465 . . . . 6.65 110.564 179.973 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 35.2 tt0 -50.14 -44.38 52.4 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.222 -0.445 . . . . 7.05 110.557 179.981 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 12.6 t0 -74.27 -31.23 62.46 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.243 -0.435 . . . . 6.72 110.557 -179.997 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 51' ' ' MET . . . . . . . . . . . . . 13.8 tpt -66.65 -46.82 74.49 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.201 -0.454 . . . . 13.6 110.482 -179.993 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 52' ' ' ILE . . . . . 0.449 ' HA ' HD13 ' A' ' 52' ' ' ILE . 38.5 mm -50.63 -48.18 27.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.195 -0.457 . . . . 8.71 110.523 179.997 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 2.9 t30 -50.54 -46.35 57.38 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.236 -0.438 . . . . 9.04 110.598 179.999 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 1.3 tt0 -51.2 -30.02 15.83 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.226 -0.443 . . . . 23.58 110.539 -179.919 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 55' ' ' VAL . . . . . 0.588 HG22 ' HG3' ' A' ' 71' ' ' MET . 59.7 t -95.0 -19.09 6.53 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.216 -0.447 . . . . 7.6 110.557 179.991 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 56' ' ' ASP . . . . . 0.568 ' OD1' ' O ' ' A' ' 62' ' ' THR . 0.5 OUTLIER -99.49 111.94 24.22 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.196 -0.456 . . . . 12.55 110.565 -179.986 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -80.97 -23.06 39.05 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.214 -0.448 . . . . 15.13 110.562 179.995 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 58' ' ' ASP . . . . . 0.611 ' N ' ' OD1' ' A' ' 58' ' ' ASP . 0.6 OUTLIER -94.82 -10.38 31.57 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.183 -0.462 . . . . 14.32 110.611 179.966 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 55.62 45.02 86.11 Favored Glycine 0 CA--C 1.525 0.661 0 N-CA-C 110.892 -0.883 . . . . 13.64 110.892 179.95 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 60' ' ' ASP . . . . . 0.564 ' OD1' ' OD1' ' A' ' 58' ' ' ASP . 1.9 p-10 -88.17 -25.5 22.9 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.886 0.375 . . . . 13.27 110.603 179.946 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 105.63 18.95 10.89 Favored Glycine 0 CA--C 1.525 0.668 0 N-CA-C 110.912 -0.875 . . . . 11.65 110.912 179.983 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 62' ' ' THR . . . . . 0.568 ' O ' ' OD1' ' A' ' 56' ' ' ASP . 0.7 OUTLIER -148.89 153.75 38.47 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.774 0.321 . . . . 11.55 110.584 179.996 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 63' ' ' ILE . . . . . 0.561 ' O ' HG22 ' A' ' 26' ' ' THR . 94.6 mt -120.84 125.69 74.35 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.224 -0.444 . . . . 10.06 110.607 -179.993 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 64' ' ' ASP . . . . . 0.637 ' OD2' ' N ' ' A' ' 64' ' ' ASP . 0.0 OUTLIER -94.3 -176.05 3.84 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.214 -0.448 . . . . 11.33 110.5 -179.999 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 65' ' ' PHE . . . . . 0.52 ' N ' ' HD2' ' A' ' 66' ' ' PRO . 1.4 t80 -70.25 -56.83 6.48 Favored Pre-proline 0 C--N 1.33 -0.269 0 CA-C-N 116.225 -0.443 . . . . 7.4 110.943 179.997 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 66' ' ' PRO . . . . . 0.52 ' HD2' ' N ' ' A' ' 65' ' ' PHE . 12.3 Cg_endo -57.5 -53.35 4.75 Favored 'Trans proline' 0 N--CA 1.493 1.497 0 C-N-CA 122.213 1.942 . . . . 6.66 111.971 179.65 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 67' ' ' GLU . . . . . 0.574 ' OE2' ' OD1' ' A' ' 64' ' ' ASP . 68.4 mt-10 -55.59 -17.74 6.19 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.218 -0.446 . . . . 7.44 110.404 179.858 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 68' ' ' PHE . . . . . . . . . . . . . 36.4 t80 -81.45 -25.29 36.23 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.123 -0.49 . . . . 8.58 110.529 179.96 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 69' ' ' LEU . . . . . 0.799 HD21 ' HB3' ' A' ' 12' ' ' PHE . 5.6 mt -83.26 -45.73 13.48 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.244 -0.435 . . . . 9.43 110.362 179.699 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 70' ' ' THR . . . . . 0.596 ' CG2' ' N ' ' A' ' 71' ' ' MET . 2.4 t -56.34 -47.51 78.64 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.12 -0.491 . . . . 7.53 110.543 179.976 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 71' ' ' MET . . . . . 0.626 ' C ' ' SD ' ' A' ' 71' ' ' MET . 0.8 OUTLIER -49.62 -46.75 49.7 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.173 -0.467 . . . . 11.86 110.491 179.864 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 72' ' ' MET . . . . . 0.572 ' N ' ' SD ' ' A' ' 71' ' ' MET . 0.0 OUTLIER -78.0 -49.84 13.29 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.213 -0.448 . . . . 22.32 110.518 -179.976 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -56.87 -54.64 44.15 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.263 -0.426 . . . . 9.15 110.529 179.97 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 74' ' ' ARG . . . . . 0.533 ' O ' ' N ' ' A' ' 77' ' ' LYS . 35.8 mmt-85 -45.49 -44.21 12.28 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.162 -0.472 . . . . 13.8 110.48 -179.985 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -45.17 -43.58 10.12 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.249 -0.432 . . . . 25.18 110.517 179.965 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 76' ' ' MET . . . . . . . . . . . . . 85.8 mtp -76.57 -11.75 59.91 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.16 -0.473 . . . . 34.79 110.544 -179.985 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 77' ' ' LYS . . . . . 0.533 ' N ' ' O ' ' A' ' 74' ' ' ARG . 23.3 tttm -102.22 39.93 1.42 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.211 -0.45 . . . . 37.65 110.631 -179.997 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 78' ' ' ASP . . . . . 0.408 ' C ' ' OD1' ' A' ' 78' ' ' ASP . 18.9 p30 -174.7 -168.07 0.34 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.182 -0.463 . . . . 42.58 110.541 179.955 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 7.5 t -73.25 164.53 26.54 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.213 -0.448 . . . . 38.4 110.52 -179.978 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 3.9 m-20 -130.58 152.09 50.33 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.19 -0.459 . . . . 37.51 110.579 -179.99 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 1.5 m -103.79 137.76 41.35 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.196 -0.456 . . . . 33.12 110.565 179.989 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 82' ' ' GLU . . . . . 0.461 ' O ' ' CG1' ' A' ' 85' ' ' ILE . 16.6 mt-10 -80.95 -15.25 56.76 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.226 -0.443 . . . . 34.28 110.536 -179.982 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -69.45 -35.65 75.86 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.26 -0.427 . . . . 30.91 110.56 -179.951 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 15.6 tm-20 -64.5 -60.42 3.16 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.241 -0.436 . . . . 22.86 110.538 -179.996 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 85' ' ' ILE . . . . . 0.461 ' CG1' ' O ' ' A' ' 82' ' ' GLU . 5.5 pt -43.74 -27.69 0.36 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.142 -0.481 . . . . 19.17 110.576 179.964 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 22.1 ttp85 -70.75 -56.23 6.84 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.162 -0.472 . . . . 26.85 110.585 179.971 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 87' ' ' GLU . . . . . 0.646 ' O ' HG23 ' A' ' 91' ' ' VAL . 15.7 mt-10 -59.12 -61.89 2.3 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.221 -0.445 . . . . 16.48 110.611 -179.974 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 88' ' ' ALA . . . . . 0.426 ' O ' ' CD2' ' A' ' 92' ' ' PHE . . . -43.6 -40.98 4.35 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.194 -0.457 . . . . 9.91 110.652 -179.969 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 89' ' ' PHE . . . . . 0.471 ' CE1' HD11 ' A' ' 100' ' ' ILE . 34.5 t80 -70.7 -62.9 1.22 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.188 -0.46 . . . . 8.53 110.546 179.977 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 32.4 ttp180 -51.11 -18.7 0.9 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.23 -0.441 . . . . 17.58 110.588 179.942 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 91' ' ' VAL . . . . . 0.646 HG23 ' O ' ' A' ' 87' ' ' GLU . 37.6 t -74.19 -22.52 18.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.148 -0.478 . . . . 7.82 110.644 179.974 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 92' ' ' PHE . . . . . 0.495 ' CD1' HG11 ' A' ' 108' ' ' VAL . 65.4 m-85 -95.33 -22.84 17.49 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.219 -0.446 . . . . 9.11 110.62 -179.936 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 93' ' ' ASP . . . . . 0.575 ' OD1' ' N ' ' A' ' 99' ' ' TYR . 1.5 m-20 -99.02 68.69 1.71 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.274 -0.421 . . . . 11.11 110.692 -179.812 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -48.68 -18.69 0.28 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.297 -0.41 . . . . 14.57 111.022 -179.719 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . 49.5 m-20 -76.42 -12.48 60.06 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.864 0.364 . . . . 10.2 110.614 -179.862 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 60.45 25.67 63.26 Favored Glycine 0 CA--C 1.525 0.703 0 N-CA-C 110.955 -0.858 . . . . 6.24 110.955 -179.89 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 97' ' ' ASN . . . . . 0.677 ' O ' ' CD2' ' A' ' 99' ' ' TYR . 45.4 p-10 -95.58 -3.87 45.62 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.879 0.371 . . . . 7.56 110.326 179.812 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . 67.51 29.29 73.91 Favored Glycine 0 CA--C 1.525 0.679 0 N-CA-C 110.972 -0.851 . . . . 7.08 110.972 179.931 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 99' ' ' TYR . . . . . 0.677 ' CD2' ' O ' ' A' ' 97' ' ' ASN . 67.1 m-85 -148.36 135.01 19.82 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.778 0.323 . . . . 9.0 110.559 179.882 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 100' ' ' ILE . . . . . 0.471 HD11 ' CE1' ' A' ' 89' ' ' PHE . 0.0 OUTLIER -122.23 117.35 51.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.268 -0.423 . . . . 9.29 110.494 179.987 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 101' ' ' SER . . . . . 0.491 ' O ' ' N ' ' A' ' 103' ' ' ALA . 1.4 t -89.41 151.7 21.89 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.278 -0.419 . . . . 7.02 110.585 179.889 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -43.66 -19.41 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.255 -0.43 . . . . 6.41 110.641 -179.949 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 103' ' ' ALA . . . . . 0.491 ' N ' ' O ' ' A' ' 101' ' ' SER . . . -81.75 -39.49 24.09 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.19 -0.459 . . . . 5.01 110.577 -179.944 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 104' ' ' GLU . . . . . 0.448 ' N ' ' O ' ' A' ' 101' ' ' SER . 26.7 mt-10 -75.14 -55.02 6.15 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.223 -0.444 . . . . 6.84 110.654 -179.975 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 105' ' ' LEU . . . . . 0.409 ' O ' HD23 ' A' ' 105' ' ' LEU . 0.9 OUTLIER -47.76 -48.24 30.11 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.245 -0.434 . . . . 4.99 110.584 -179.922 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 106' ' ' ARG . . . . . 0.517 ' O ' ' OG1' ' A' ' 110' ' ' THR . 12.3 ttp180 -67.01 -19.96 65.79 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.184 -0.462 . . . . 15.24 110.592 179.996 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 107' ' ' HIS . . . . . . . . . . . . . 8.3 t-80 -74.61 -40.85 61.3 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.265 -0.425 . . . . 15.69 110.653 -179.947 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 108' ' ' VAL . . . . . 0.495 HG11 ' CD1' ' A' ' 92' ' ' PHE . 25.7 t -78.91 -62.61 1.33 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.25 -0.432 . . . . 12.28 110.586 -179.945 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 109' ' ' MET . . . . . 0.44 ' HA ' HD23 ' A' ' 112' ' ' LEU . 1.8 tpt -49.73 -16.14 0.22 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.216 -0.447 . . . . 9.53 110.645 -179.885 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 110' ' ' THR . . . . . 0.517 ' OG1' ' O ' ' A' ' 106' ' ' ARG . 1.4 m -79.55 -44.94 20.17 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.285 -0.416 . . . . 11.87 110.711 -179.874 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 111' ' ' ASN . . . . . 0.504 ' OD1' ' O ' ' A' ' 111' ' ' ASN . 60.6 t-20 -62.67 -13.88 37.26 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.333 -0.394 . . . . 21.65 110.759 -179.784 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 112' ' ' LEU . . . . . 0.44 HD23 ' HA ' ' A' ' 109' ' ' MET . 3.8 mm? -50.03 -32.55 15.66 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.319 -0.401 . . . . 19.55 110.595 -179.973 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . 115.01 7.0 18.03 Favored Glycine 0 CA--C 1.525 0.697 0 N-CA-C 110.918 -0.873 . . . . 19.66 110.918 -179.982 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 7.9 tt0 -124.61 132.78 53.41 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.662 0.268 . . . . 25.55 110.366 179.794 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 13.9 tttp -82.23 114.1 20.5 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.405 -0.362 . . . . 23.26 110.548 179.974 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 116' ' ' LEU . . . . . . . . . . . . . 1.5 mt -107.02 156.17 19.03 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.251 -0.431 . . . . 23.07 110.6 179.993 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 117' ' ' THR . . . . . . . . . . . . . 11.6 p -78.78 148.71 32.84 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.179 -0.464 . . . . 19.41 110.586 179.975 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 118' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -77.39 -37.36 52.16 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.225 -0.443 . . . . 18.08 110.589 -179.953 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 119' ' ' GLU . . . . . . . . . . . . . 18.2 pt-20 -61.04 -28.73 69.27 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.196 -0.456 . . . . 20.16 110.572 -179.958 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 120' ' ' GLU . . . . . 0.442 ' HG2' ' SD ' ' A' ' 124' ' ' MET . 33.6 tt0 -83.38 -40.17 19.73 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.171 -0.468 . . . . 14.19 110.578 -179.953 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 121' ' ' VAL . . . . . 0.439 HG11 ' HB2' ' A' ' 106' ' ' ARG . 69.2 t -68.99 -29.0 41.76 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.174 -0.466 . . . . 14.97 110.588 -179.964 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 122' ' ' ASP . . . . . . . . . . . . . 1.5 m-20 -83.06 -54.57 4.95 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.251 -0.431 . . . . 20.12 110.629 179.981 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 123' ' ' GLU . . . . . . . . . . . . . 16.2 tt0 -54.87 -45.12 74.57 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.201 -0.454 . . . . 15.72 110.635 179.985 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 124' ' ' MET . . . . . 0.442 ' SD ' ' HG2' ' A' ' 120' ' ' GLU . 12.1 mtp -57.19 -62.05 2.03 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.163 -0.471 . . . . 9.75 110.603 -179.941 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 125' ' ' ILE . . . . . 0.571 ' O ' ' OD2' ' A' ' 129' ' ' ASP . 65.2 mt -54.61 -41.77 57.02 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.19 -0.459 . . . . 11.99 110.582 179.996 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 126' ' ' ARG . . . . . 0.45 ' HB2' ' NH2' ' A' ' 126' ' ' ARG . 0.0 OUTLIER -66.17 -19.31 65.79 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.192 -0.458 . . . . 27.23 110.579 179.958 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 127' ' ' GLU . . . . . . . . . . . . . 9.2 tp10 -77.81 -55.77 5.05 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.242 -0.436 . . . . 15.5 110.642 -179.91 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 128' ' ' ALA . . . . . . . . . . . . . . . -73.51 -13.85 61.12 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.232 -0.44 . . . . 10.5 110.653 -179.879 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 129' ' ' ASP . . . . . 0.571 ' OD2' ' O ' ' A' ' 125' ' ' ILE . 11.7 m-20 -70.57 92.8 0.86 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.248 -0.433 . . . . 10.86 110.587 -179.968 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 130' ' ' ILE . . . . . 0.525 ' N ' ' OE1' ' A' ' 140' ' ' GLU . 51.6 mt -48.7 -40.01 11.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.14 -0.482 . . . . 12.26 110.573 -179.959 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 131' ' ' ASP . . . . . . . . . . . . . 2.0 m-20 -85.53 -17.75 35.46 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.193 -0.458 . . . . 7.79 110.508 179.963 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 132' ' ' GLY . . . . . . . . . . . . . . . 55.2 43.27 83.89 Favored Glycine 0 CA--C 1.525 0.669 0 N-CA-C 110.916 -0.874 . . . . 3.93 110.916 179.956 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 133' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -96.35 0.69 51.03 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.844 0.354 . . . . 9.56 110.598 179.987 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 134' ' ' GLY . . . . . . . . . . . . . . . 90.21 4.07 71.86 Favored Glycine 0 CA--C 1.525 0.683 0 N-CA-C 110.929 -0.868 . . . . 7.32 110.929 179.996 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 135' ' ' GLN . . . . . . . . . . . . . 4.3 mt-30 -135.86 155.17 50.73 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.796 0.332 . . . . 22.05 110.552 -179.953 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 136' ' ' VAL . . . . . 0.445 HG22 ' OD2' ' A' ' 129' ' ' ASP . 47.1 t -110.16 141.96 23.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.162 -0.472 . . . . 10.34 110.57 -179.991 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 137' ' ' ASN . . . . . 0.414 ' H ' ' HG3' ' A' ' 140' ' ' GLU . 3.5 m120 -109.35 159.67 16.8 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.164 -0.471 . . . . 12.02 110.361 179.719 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 138' ' ' TYR . . . . . . . . . . . . . 15.9 t80 -55.22 -25.37 32.68 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.356 -0.384 . . . . 8.75 110.56 179.98 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 139' ' ' GLU . . . . . . . . . . . . . 25.6 tt0 -70.66 -37.97 73.75 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.155 -0.475 . . . . 22.33 110.617 179.931 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 140' ' ' GLU . . . . . 0.525 ' OE1' ' N ' ' A' ' 130' ' ' ILE . 7.2 mt-10 -63.62 -41.66 98.26 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.197 -0.456 . . . . 13.45 110.527 179.962 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 141' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER -50.12 -46.73 54.04 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.157 -0.474 . . . . 8.25 110.502 -179.986 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 142' ' ' VAL . . . . . 0.411 ' O ' ' N ' ' A' ' 145' ' ' MET . 75.2 t -67.5 -44.04 86.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.161 -0.472 . . . . 10.15 110.573 179.949 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 143' ' ' GLN . . . . . . . . . . . . . 51.2 mm-40 -43.43 -56.77 3.41 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.172 -0.467 . . . . 8.24 110.568 179.962 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 144' ' ' MET . . . . . . . . . . . . . 0.4 OUTLIER -54.24 -29.93 48.42 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.193 -0.458 . . . . 6.68 110.505 179.975 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 145' ' ' MET . . . . . 0.411 ' N ' ' O ' ' A' ' 142' ' ' VAL . 0.0 OUTLIER . . . . . 0 C--N 1.329 -0.311 0 CA-C-N 116.154 -0.476 . . . . 13.37 110.543 -179.991 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 36.1 tt0 . . . . . 0 C--O 1.231 0.107 0 CA-C-O 120.81 0.338 . . . . 23.46 110.566 . . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 4' ' ' LEU . . . . . 0.516 ' O ' HD11 ' A' ' 9' ' ' ILE . 2.9 tp -77.73 126.97 31.69 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.191 -0.458 . . . . 14.38 110.566 179.982 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 57.2 p -69.88 151.11 46.06 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.205 -0.452 . . . . 7.34 110.543 -179.976 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 3.9 mm-40 -54.5 -51.18 65.9 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.19 -0.459 . . . . 7.12 110.527 -179.973 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 51.5 mt-10 -47.65 -41.97 23.47 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.186 -0.461 . . . . 6.85 110.569 179.99 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 2.1 tt0 -76.75 -43.18 38.13 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.23 -0.441 . . . . 15.1 110.594 179.938 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 9' ' ' ILE . . . . . 0.516 HD11 ' O ' ' A' ' 4' ' ' LEU . 88.3 mt -60.48 -28.92 43.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.19 -0.459 . . . . 4.72 110.533 -179.992 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -73.75 -59.49 2.69 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.21 -0.45 . . . . 6.68 110.564 -179.989 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 60.3 mt-10 -49.18 -31.96 9.4 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.197 -0.456 . . . . 18.49 110.589 179.996 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 2.1 m-85 -62.58 -50.05 72.84 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.2 -0.455 . . . . 14.89 110.548 179.983 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 6.5 tttt -47.59 -31.87 4.9 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.169 -0.469 . . . . 18.39 110.526 -179.98 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 15.5 tt0 -61.15 -56.1 24.68 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.221 -0.445 . . . . 22.76 110.528 179.998 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -45.57 -35.46 3.97 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.202 -0.454 . . . . 5.67 110.503 -179.984 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 16' ' ' PHE . . . . . 0.453 ' CE2' ' CB ' ' A' ' 20' ' ' ASP . 10.8 t80 -59.7 -60.12 4.35 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.167 -0.469 . . . . 13.28 110.497 179.999 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -48.93 -21.53 0.68 Allowed 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.178 -0.465 . . . . 12.16 110.534 179.978 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -78.55 -37.32 43.05 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.148 -0.478 . . . . 17.89 110.497 179.985 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 9.2 m-85 -90.01 -50.2 6.15 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.257 -0.429 . . . . 9.14 110.556 179.986 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 20' ' ' ASP . . . . . 0.46 ' OD2' ' O ' ' A' ' 26' ' ' THR . 15.7 t70 -85.38 83.24 8.02 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.22 -0.445 . . . . 7.47 110.507 179.971 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 17.1 pttt -75.14 -19.67 59.77 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.188 -0.46 . . . . 27.75 110.69 -179.983 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 22' ' ' ASP . . . . . 0.513 ' OD2' ' OE1' ' A' ' 31' ' ' GLU . 29.2 m-20 -73.04 -15.34 61.52 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.213 -0.449 . . . . 14.13 110.616 -179.943 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 59.58 27.98 64.49 Favored Glycine 0 CA--C 1.525 0.663 0 N-CA-C 110.981 -0.847 . . . . 11.51 110.981 -179.907 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 4.0 m-20 -80.87 -29.52 35.72 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.775 0.322 . . . . 14.28 110.613 -179.962 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 105.17 7.91 37.02 Favored Glycine 0 CA--C 1.525 0.703 0 N-CA-C 110.874 -0.891 . . . . 9.47 110.874 -179.995 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 26' ' ' THR . . . . . 0.46 ' O ' ' OD2' ' A' ' 20' ' ' ASP . 72.9 p -148.04 142.08 25.96 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.814 0.34 . . . . 16.41 110.554 179.958 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 43.6 mt -102.97 123.43 56.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.206 -0.452 . . . . 8.03 110.612 179.952 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 28' ' ' THR . . . . . 0.488 HG23 ' H ' ' A' ' 31' ' ' GLU . 0.6 OUTLIER -105.86 169.11 8.67 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.213 -0.448 . . . . 7.8 110.586 -179.982 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 29' ' ' THR . . . . . 0.424 HG23 HG13 ' A' ' 52' ' ' ILE . 6.5 m -70.65 -16.15 62.79 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.164 -0.471 . . . . 10.04 110.571 179.975 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 26.3 mmtt -80.62 -34.28 35.15 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.182 -0.463 . . . . 16.38 110.575 -179.993 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 31' ' ' GLU . . . . . 0.513 ' OE1' ' OD2' ' A' ' 22' ' ' ASP . 3.7 tt0 -85.18 -28.25 25.59 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.205 -0.452 . . . . 5.59 110.54 179.992 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 7.6 tp -64.11 -59.81 4.0 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.111 -0.495 . . . . 7.72 110.547 179.98 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -50.19 -46.58 43.06 Favored Glycine 0 CA--C 1.525 0.663 0 N-CA-C 110.867 -0.893 . . . . 6.93 110.867 179.985 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 2.7 m -52.04 -40.87 61.76 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.808 0.337 . . . . 9.63 110.544 179.928 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 48.0 t -63.7 -48.62 85.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.217 -0.447 . . . . 7.07 110.511 179.99 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 36' ' ' MET . . . . . . . . . . . . . 4.1 mtt -64.38 -27.77 69.23 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.186 -0.461 . . . . 10.12 110.501 179.985 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 1.3 mtp180 -62.9 -27.48 69.4 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.214 -0.448 . . . . 9.87 110.52 179.925 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 1.7 t -80.31 -18.71 48.41 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.169 -0.469 . . . . 8.15 110.418 179.981 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 39' ' ' LEU . . . . . 0.421 ' N ' HD12 ' A' ' 39' ' ' LEU . 8.8 mp -93.12 15.13 15.94 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.166 -0.47 . . . . 12.78 110.504 179.924 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 66.71 28.48 73.78 Favored Glycine 0 CA--C 1.525 0.66 0 N-CA-C 110.923 -0.871 . . . . 9.6 110.923 179.981 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 37.1 mt-30 -104.38 150.53 24.42 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.811 0.339 . . . . 20.35 110.54 -179.952 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 90.7 m-20 -140.06 80.07 21.09 Favored Pre-proline 0 C--N 1.329 -0.289 0 CA-C-N 116.184 -0.462 . . . . 10.22 110.516 179.942 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 43' ' ' PRO . . . . . 0.487 ' CG ' HD13 ' A' ' 48' ' ' LEU . 60.2 Cg_endo -78.05 159.9 30.29 Favored 'Trans proline' 0 C--N 1.307 -1.655 0 C-N-CA 122.792 2.328 . . . . 8.63 112.23 -179.985 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 44' ' ' THR . . . . . 0.474 HG22 ' H ' ' A' ' 46' ' ' ALA . 63.4 m -94.22 147.34 23.28 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.174 -0.467 . . . . 4.83 110.519 179.962 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 45' ' ' GLU . . . . . 0.401 ' CD ' ' H ' ' A' ' 45' ' ' GLU . 9.5 mp0 -46.17 -20.91 0.12 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.246 -0.434 . . . . 16.78 110.535 -179.99 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 46' ' ' ALA . . . . . 0.474 ' H ' HG22 ' A' ' 44' ' ' THR . . . -83.64 -40.58 18.81 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.167 -0.469 . . . . 4.8 110.589 179.98 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 27.0 mm-40 -69.24 -60.78 2.12 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.228 -0.442 . . . . 6.18 110.608 179.999 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 48' ' ' LEU . . . . . 0.487 HD13 ' CG ' ' A' ' 43' ' ' PRO . 5.8 tp -50.07 -35.62 26.04 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.153 -0.476 . . . . 6.65 110.615 -179.981 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 24.2 tt0 -66.14 -48.04 72.12 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.232 -0.44 . . . . 7.05 110.553 -179.98 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 50' ' ' ASP . . . . . 0.404 ' CG ' ' O ' ' A' ' 46' ' ' ALA . 16.2 m-20 -58.67 -25.95 63.32 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.188 -0.46 . . . . 6.72 110.614 -179.987 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 51' ' ' MET . . . . . . . . . . . . . 4.5 tpt -76.38 -58.91 3.01 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.193 -0.458 . . . . 13.6 110.57 179.999 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 52' ' ' ILE . . . . . 0.424 HG13 HG23 ' A' ' 29' ' ' THR . 3.9 mm -49.02 -43.32 15.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.171 -0.468 . . . . 8.71 110.542 179.983 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 18.6 m120 -49.89 -51.03 43.7 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.231 -0.441 . . . . 9.04 110.52 -179.977 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 3.7 mm-40 -51.21 -27.71 9.62 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.2 -0.455 . . . . 23.58 110.623 -179.922 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 55' ' ' VAL . . . . . 0.877 HG22 ' SD ' ' A' ' 71' ' ' MET . 11.9 t -95.01 -20.52 6.01 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.226 -0.443 . . . . 7.6 110.62 179.951 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 56' ' ' ASP . . . . . 0.567 ' OD1' ' O ' ' A' ' 62' ' ' THR . 0.6 OUTLIER -107.63 87.97 2.63 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.197 -0.456 . . . . 12.55 110.521 -179.972 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -79.07 -28.52 43.14 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.186 -0.461 . . . . 15.13 110.568 179.97 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 5.3 m-20 -85.86 2.3 46.43 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.181 -0.463 . . . . 14.32 110.555 179.992 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 52.46 17.25 4.18 Favored Glycine 0 CA--C 1.525 0.695 0 N-CA-C 110.917 -0.873 . . . . 13.64 110.917 -179.989 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 60' ' ' ASP . . . . . 0.406 ' OD1' ' N ' ' A' ' 60' ' ' ASP . 3.8 p-10 -62.31 -22.39 66.01 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.859 0.362 . . . . 13.27 110.59 -179.992 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 92.78 -1.41 71.35 Favored Glycine 0 CA--C 1.525 0.695 0 N-CA-C 110.963 -0.855 . . . . 11.65 110.963 -179.983 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 62' ' ' THR . . . . . 0.567 ' O ' ' OD1' ' A' ' 56' ' ' ASP . 0.3 OUTLIER -129.26 154.58 46.68 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.837 0.351 . . . . 11.55 110.539 -179.971 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 63' ' ' ILE . . . . . . . . . . . . . 81.7 mt -106.79 141.33 22.27 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.169 -0.469 . . . . 10.06 110.567 179.982 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 64' ' ' ASP . . . . . 0.558 ' OD2' ' N ' ' A' ' 64' ' ' ASP . 0.2 OUTLIER -99.84 172.37 7.28 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.217 -0.447 . . . . 11.33 110.565 179.983 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 65' ' ' PHE . . . . . 0.555 ' CD1' ' C ' ' A' ' 65' ' ' PHE . 0.3 OUTLIER -70.97 -56.71 5.49 Favored Pre-proline 0 C--N 1.328 -0.332 0 CA-C-N 116.264 -0.426 . . . . 7.4 110.84 179.965 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 66' ' ' PRO . . . . . 0.508 ' HD2' ' N ' ' A' ' 65' ' ' PHE . 18.9 Cg_endo -62.28 -40.81 38.13 Favored 'Trans proline' 0 N--CA 1.494 1.52 0 C-N-CA 122.21 1.94 . . . . 6.66 111.933 179.724 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 67' ' ' GLU . . . . . 0.468 ' OE1' ' OD1' ' A' ' 64' ' ' ASP . 38.5 mt-10 -64.17 -14.76 57.34 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.152 -0.476 . . . . 7.44 110.349 179.848 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 68' ' ' PHE . . . . . . . . . . . . . 45.7 t80 -79.58 -25.35 41.57 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.104 -0.498 . . . . 8.58 110.457 179.941 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 69' ' ' LEU . . . . . 0.462 HD12 ' N ' ' A' ' 69' ' ' LEU . 6.6 mp -83.21 -41.29 18.59 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.177 -0.465 . . . . 9.43 110.437 179.704 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 70' ' ' THR . . . . . 0.561 ' CG2' ' N ' ' A' ' 71' ' ' MET . 1.2 t -61.13 -44.38 97.42 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.147 -0.479 . . . . 7.53 110.528 -179.924 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 71' ' ' MET . . . . . 0.877 ' SD ' HG22 ' A' ' 55' ' ' VAL . 0.0 OUTLIER -53.05 -44.92 67.8 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.248 -0.433 . . . . 11.86 110.506 179.919 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 72' ' ' MET . . . . . 0.617 ' SD ' ' C ' ' A' ' 72' ' ' MET . 0.0 OUTLIER -80.67 -47.36 14.15 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.18 -0.464 . . . . 22.32 110.585 179.96 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -57.69 -53.85 53.48 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.187 -0.461 . . . . 9.15 110.595 179.951 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 41.0 ttt180 -45.37 -51.58 11.05 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.2 -0.454 . . . . 13.8 110.536 -179.952 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 75' ' ' LYS . . . . . 0.494 ' O ' ' OD1' ' A' ' 78' ' ' ASP . 19.8 mmtt -43.91 -36.84 2.58 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.202 -0.454 . . . . 25.18 110.549 179.975 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 76' ' ' MET . . . . . 0.483 ' C ' ' H ' ' A' ' 78' ' ' ASP . 11.7 mtt -83.89 -35.48 24.08 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.211 -0.449 . . . . 34.79 110.585 -179.986 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 13.4 tptt -70.94 39.73 0.06 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.177 -0.465 . . . . 37.65 110.54 -179.975 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 78' ' ' ASP . . . . . 0.494 ' OD1' ' O ' ' A' ' 75' ' ' LYS . 19.0 p30 -176.15 -160.32 0.07 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.238 -0.437 . . . . 42.58 110.608 179.983 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 6.5 p -78.04 155.68 30.52 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.2 -0.454 . . . . 38.4 110.525 -179.992 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 3.3 p-10 -112.71 150.17 31.9 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.194 -0.457 . . . . 37.51 110.573 -179.996 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 50.9 m -109.25 138.03 46.23 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.254 -0.43 . . . . 33.12 110.548 -179.978 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 51.4 mt-10 -84.82 -10.42 57.19 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.201 -0.454 . . . . 34.28 110.568 -179.976 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 83' ' ' GLU . . . . . 0.419 ' HG3' ' H ' ' A' ' 84' ' ' GLU . 0.3 OUTLIER -63.95 -39.92 95.25 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.177 -0.465 . . . . 30.91 110.654 -179.96 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 84' ' ' GLU . . . . . 0.419 ' H ' ' HG3' ' A' ' 83' ' ' GLU . 0.0 OUTLIER -83.0 -52.45 6.66 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.23 -0.441 . . . . 22.86 110.588 179.962 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 85' ' ' ILE . . . . . . . . . . . . . 13.4 mt -48.07 -20.35 0.42 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.14 -0.482 . . . . 19.17 110.534 -179.96 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 32.2 ttp180 -81.2 -55.25 4.87 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.205 -0.452 . . . . 26.85 110.542 -179.99 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 20.0 mt-10 -61.72 -47.43 85.27 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.223 -0.444 . . . . 16.48 110.571 -179.973 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -59.56 -33.37 71.33 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.191 -0.458 . . . . 9.91 110.597 -179.97 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 89' ' ' PHE . . . . . 0.417 ' O ' ' CD2' ' A' ' 89' ' ' PHE . 35.4 t80 -68.76 -26.3 65.16 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.208 -0.451 . . . . 8.53 110.623 -179.97 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 90' ' ' ARG . . . . . 0.443 ' HD3' ' N ' ' A' ' 90' ' ' ARG . 0.0 OUTLIER -76.9 -45.36 28.33 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.219 -0.446 . . . . 17.58 110.567 -179.988 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 91' ' ' VAL . . . . . . . . . . . . . 84.5 t -50.08 -18.29 0.54 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.244 -0.435 . . . . 7.82 110.562 -179.839 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 92' ' ' PHE . . . . . . . . . . . . . 51.6 m-85 -95.34 -42.65 8.41 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.231 -0.44 . . . . 9.11 110.538 179.846 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 93' ' ' ASP . . . . . 0.532 ' CG ' ' O ' ' A' ' 99' ' ' TYR . 21.0 t0 -95.46 69.08 3.02 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.094 -0.503 . . . . 11.11 110.524 179.998 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 7.3 pttt -48.19 -21.43 0.49 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.217 -0.447 . . . . 14.57 111.12 -179.644 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 95' ' ' ASP . . . . . 0.455 ' CG ' ' OD1' ' A' ' 97' ' ' ASN . 22.2 t0 -75.55 -13.33 60.35 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-O 120.817 0.341 . . . . 10.2 110.752 -179.761 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 60.26 22.19 58.02 Favored Glycine 0 CA--C 1.525 0.719 0 N-CA-C 110.998 -0.841 . . . . 6.24 110.998 -179.988 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 97' ' ' ASN . . . . . 0.455 ' OD1' ' CG ' ' A' ' 95' ' ' ASP . 11.6 m120 -82.69 2.65 32.58 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.879 0.371 . . . . 7.56 110.509 179.944 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . 70.83 4.17 53.25 Favored Glycine 0 CA--C 1.524 0.648 0 N-CA-C 110.984 -0.846 . . . . 7.08 110.984 179.947 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 99' ' ' TYR . . . . . 0.633 ' CD1' ' C ' ' A' ' 99' ' ' TYR . 1.5 p90 -139.14 145.89 39.97 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.801 0.334 . . . . 9.0 110.597 -179.958 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 12.9 mt -122.05 124.52 71.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.155 -0.475 . . . . 9.29 110.519 179.905 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 101' ' ' SER . . . . . 0.518 ' O ' ' N ' ' A' ' 103' ' ' ALA . 8.8 t -91.21 151.68 20.84 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.241 -0.436 . . . . 7.02 110.626 -179.927 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -42.6 -19.34 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.135 -0.484 . . . . 6.41 110.604 -179.879 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 103' ' ' ALA . . . . . 0.518 ' N ' ' O ' ' A' ' 101' ' ' SER . . . -77.77 -57.52 3.76 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.237 -0.438 . . . . 5.01 110.564 179.969 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 26.2 mt-10 -56.16 -46.09 79.42 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.178 -0.465 . . . . 6.84 110.643 -179.961 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 105' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -58.21 -47.88 82.09 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.247 -0.433 . . . . 4.99 110.569 179.983 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 106' ' ' ARG . . . . . 0.579 HH21 ' CG ' ' A' ' 118' ' ' ASP . 20.5 ttp180 -69.34 -22.67 63.74 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.184 -0.462 . . . . 15.24 110.498 -179.956 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 107' ' ' HIS . . . . . . . . . . . . . 0.6 OUTLIER -78.43 -43.99 25.9 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.232 -0.44 . . . . 15.69 110.547 179.959 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 108' ' ' VAL . . . . . 0.464 ' O ' HD23 ' A' ' 112' ' ' LEU . 64.2 t -80.42 -44.7 22.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.219 -0.446 . . . . 12.28 110.546 -179.966 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 109' ' ' MET . . . . . . . . . . . . . 2.7 tpt -66.13 -13.76 60.67 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.22 -0.445 . . . . 9.53 110.612 -179.927 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 110' ' ' THR . . . . . 0.519 ' OG1' ' O ' ' A' ' 106' ' ' ARG . 1.5 m -81.54 -39.36 24.76 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.262 -0.426 . . . . 11.87 110.564 179.98 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 111' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -72.36 -13.04 61.38 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.26 -0.427 . . . . 21.65 110.522 179.998 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 112' ' ' LEU . . . . . 0.464 HD23 ' O ' ' A' ' 108' ' ' VAL . 1.6 mm? -50.18 -27.3 5.66 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.221 -0.445 . . . . 19.55 110.588 -179.987 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . 115.29 -0.61 22.33 Favored Glycine 0 CA--C 1.524 0.646 0 N-CA-C 110.856 -0.898 . . . . 19.66 110.856 -179.867 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 114' ' ' GLU . . . . . 0.63 ' O ' HD23 ' A' ' 116' ' ' LEU . 24.5 mm-40 -124.41 128.83 49.64 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.725 0.298 . . . . 25.55 110.392 179.707 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 48.6 tttp -82.57 116.21 21.88 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.408 -0.36 . . . . 23.26 110.662 -179.923 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 116' ' ' LEU . . . . . 0.677 HD23 ' N ' ' A' ' 116' ' ' LEU . 0.1 OUTLIER -102.9 159.07 15.83 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.189 -0.459 . . . . 23.07 110.531 179.993 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 117' ' ' THR . . . . . 0.466 ' O ' HG23 ' A' ' 121' ' ' VAL . 0.4 OUTLIER -85.41 149.41 25.44 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.182 -0.463 . . . . 19.41 110.561 179.985 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 118' ' ' ASP . . . . . 0.579 ' CG ' HH21 ' A' ' 106' ' ' ARG . 72.9 m-20 -75.98 -26.1 56.45 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.239 -0.437 . . . . 18.08 110.537 -179.982 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 119' ' ' GLU . . . . . . . . . . . . . 6.3 mm-40 -70.89 -26.32 63.18 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.191 -0.459 . . . . 20.16 110.513 -179.97 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 120' ' ' GLU . . . . . . . . . . . . . 33.6 tt0 -85.17 -45.98 11.51 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.213 -0.448 . . . . 14.19 110.53 -179.972 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 121' ' ' VAL . . . . . 0.466 HG23 ' O ' ' A' ' 117' ' ' THR . 93.4 t -54.48 -42.88 61.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.244 -0.435 . . . . 14.97 110.579 -179.998 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 122' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -76.37 -44.55 35.82 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.185 -0.461 . . . . 20.12 110.532 -179.998 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 123' ' ' GLU . . . . . 0.507 ' OE2' ' O ' ' A' ' 123' ' ' GLU . 7.1 tp10 -57.33 -47.33 81.83 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.26 -0.427 . . . . 15.72 110.535 -179.983 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 124' ' ' MET . . . . . . . . . . . . . 4.6 ttt -61.92 -54.5 41.06 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.174 -0.466 . . . . 9.75 110.589 179.982 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 125' ' ' ILE . . . . . 0.439 ' C ' ' N ' ' A' ' 127' ' ' GLU . 24.4 mt -62.53 -58.04 9.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.159 -0.473 . . . . 11.99 110.587 179.982 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 126' ' ' ARG . . . . . . . . . . . . . 52.2 ttt-85 -43.54 -22.52 0.05 OUTLIER 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.235 -0.439 . . . . 27.23 110.578 179.987 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 127' ' ' GLU . . . . . 0.439 ' N ' ' C ' ' A' ' 125' ' ' ILE . 16.7 tt0 -89.81 -54.2 4.16 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.215 -0.448 . . . . 15.5 110.571 -179.98 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 128' ' ' ALA . . . . . . . . . . . . . . . -65.42 -25.9 67.73 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.165 -0.47 . . . . 10.5 110.571 -179.983 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 129' ' ' ASP . . . . . 0.636 ' OD1' ' N ' ' A' ' 133' ' ' ASP . 45.4 t0 -72.89 92.71 1.64 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.204 -0.453 . . . . 10.86 110.528 179.97 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 130' ' ' ILE . . . . . 0.449 HD11 ' HG2' ' A' ' 143' ' ' GLN . 18.8 mt -48.54 -35.13 5.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.11 -0.495 . . . . 12.26 110.713 -179.788 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 131' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -88.2 -17.93 29.79 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.316 -0.402 . . . . 7.79 110.652 -179.957 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 132' ' ' GLY . . . . . 0.626 ' N ' ' OD2' ' A' ' 129' ' ' ASP . . . 60.7 39.43 96.64 Favored Glycine 0 CA--C 1.525 0.674 0 N-CA-C 110.826 -0.91 . . . . 3.93 110.826 -179.935 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 133' ' ' ASP . . . . . 0.636 ' N ' ' OD1' ' A' ' 129' ' ' ASP . 0.5 OUTLIER -87.99 -1.82 58.23 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.759 0.314 . . . . 9.56 110.649 -179.888 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 134' ' ' GLY . . . . . . . . . . . . . . . 82.78 5.43 89.41 Favored Glycine 0 CA--C 1.525 0.667 0 N-CA-C 110.902 -0.879 . . . . 7.32 110.902 -179.959 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 135' ' ' GLN . . . . . . . . . . . . . 9.4 mt-30 -136.32 160.62 38.17 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.745 0.307 . . . . 22.05 110.415 179.937 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 136' ' ' VAL . . . . . . . . . . . . . 66.2 t -112.75 135.46 52.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.336 -0.393 . . . . 10.34 110.694 -179.91 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 137' ' ' ASN . . . . . 0.505 ' N ' ' OE1' ' A' ' 140' ' ' GLU . 2.7 m-20 -109.92 159.47 17.22 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.147 -0.479 . . . . 12.02 110.292 179.541 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 138' ' ' TYR . . . . . . . . . . . . . 75.1 t80 -49.6 -28.78 6.13 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.811 0.339 . . . . 8.75 110.496 179.972 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 139' ' ' GLU . . . . . . . . . . . . . 5.0 mt-10 -70.01 -39.99 75.51 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.168 -0.469 . . . . 22.33 110.541 -179.989 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 140' ' ' GLU . . . . . 0.505 ' OE1' ' N ' ' A' ' 137' ' ' ASN . 1.7 mt-10 -61.1 -43.14 99.34 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.247 -0.433 . . . . 13.45 110.498 179.929 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 141' ' ' PHE . . . . . . . . . . . . . 1.2 m-85 -50.74 -60.32 3.17 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.2 -0.455 . . . . 8.25 110.438 179.968 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 142' ' ' VAL . . . . . . . . . . . . . 66.0 t -50.76 -36.41 14.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.152 -0.476 . . . . 10.15 110.549 179.985 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 143' ' ' GLN . . . . . 0.449 ' HG2' HD11 ' A' ' 130' ' ' ILE . 14.4 tp60 -47.17 -54.75 9.89 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.176 -0.465 . . . . 8.24 110.435 179.964 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 144' ' ' MET . . . . . . . . . . . . . 2.1 ttt -49.13 -37.89 23.38 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.228 -0.442 . . . . 6.68 110.439 179.993 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 145' ' ' MET . . . . . . . . . . . . . 29.9 mtt . . . . . 0 C--N 1.329 -0.307 0 CA-C-N 116.198 -0.455 . . . . 13.37 110.534 179.887 . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 3' ' ' GLN . . . . . 0.604 ' OE1' ' N ' ' A' ' 3' ' ' GLN . 0.0 OUTLIER . . . . . 0 C--O 1.231 0.121 0 CA-C-O 120.754 0.311 . . . . 23.46 110.545 . . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 4' ' ' LEU . . . . . 0.465 HD23 HG13 ' A' ' 9' ' ' ILE . 0.6 OUTLIER -80.58 127.17 32.15 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.216 -0.447 . . . . 14.38 110.537 -179.994 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 71.6 p -68.59 149.77 48.78 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.209 -0.45 . . . . 7.34 110.518 179.999 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 24.6 mm-40 -53.9 -45.45 71.11 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.211 -0.45 . . . . 7.12 110.605 -179.996 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 7' ' ' GLU . . . . . 0.572 ' O ' ' OE1' ' A' ' 7' ' ' GLU . 0.9 OUTLIER -48.22 -38.79 19.31 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.171 -0.468 . . . . 6.85 110.641 -179.995 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 69.4 mt-30 -78.34 -40.96 34.99 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.218 -0.446 . . . . 15.1 110.601 179.992 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 9' ' ' ILE . . . . . 0.465 HG13 HD23 ' A' ' 4' ' ' LEU . 60.2 mt -62.18 -31.51 51.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.181 -0.463 . . . . 4.72 110.583 -179.921 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -68.32 -59.35 3.26 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.212 -0.449 . . . . 6.68 110.557 -179.938 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 45.4 mm-40 -46.14 -38.98 8.87 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.265 -0.425 . . . . 18.49 110.584 -179.925 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 12' ' ' PHE . . . . . 0.426 ' CD2' HD23 ' A' ' 69' ' ' LEU . 1.9 m-85 -57.57 -45.21 85.47 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.224 -0.444 . . . . 14.89 110.608 179.997 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -47.01 -41.62 16.8 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.212 -0.449 . . . . 18.39 110.527 -179.927 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 14' ' ' GLU . . . . . 0.634 ' OE2' HD23 ' A' ' 18' ' ' LEU . 3.7 tm-20 -60.75 -35.76 77.19 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.242 -0.435 . . . . 22.76 110.615 180.0 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -60.66 -51.95 67.21 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.164 -0.471 . . . . 5.67 110.608 179.954 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 16' ' ' PHE . . . . . 0.527 ' CE2' HD11 ' A' ' 27' ' ' ILE . 0.1 OUTLIER -48.87 -60.27 2.89 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.206 -0.452 . . . . 13.28 110.469 -179.971 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 10.9 t -48.24 -23.53 0.91 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.246 -0.433 . . . . 12.16 110.461 179.943 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 18' ' ' LEU . . . . . 0.634 HD23 ' OE2' ' A' ' 14' ' ' GLU . 0.4 OUTLIER -81.35 -33.35 32.49 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.151 -0.477 . . . . 17.89 110.488 180.0 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 25.6 m-85 -90.05 -50.44 6.01 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.257 -0.429 . . . . 9.14 110.599 179.981 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 33.8 t70 -95.88 91.52 6.07 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.232 -0.44 . . . . 7.47 110.602 -179.947 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 24.3 mttp -83.5 -19.54 35.58 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.144 -0.48 . . . . 27.75 110.633 -179.933 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 92.5 m-20 -72.62 -15.39 61.73 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.304 -0.407 . . . . 14.13 110.702 -179.812 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 62.26 31.93 80.9 Favored Glycine 0 CA--C 1.524 0.647 0 N-CA-C 110.903 -0.879 . . . . 11.51 110.903 -179.935 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 52.7 t0 -81.81 -29.39 32.68 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.763 0.316 . . . . 14.28 110.653 -179.976 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 105.09 1.08 41.67 Favored Glycine 0 CA--C 1.525 0.683 0 N-CA-C 110.924 -0.87 . . . . 9.47 110.924 -179.998 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 1.5 p -148.54 136.84 21.18 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.792 0.329 . . . . 16.41 110.559 179.967 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 27' ' ' ILE . . . . . 0.527 HD11 ' CE2' ' A' ' 16' ' ' PHE . 5.6 mt -100.03 130.38 49.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.202 -0.454 . . . . 8.03 110.508 179.989 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 33.5 p -111.36 173.97 6.09 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.188 -0.46 . . . . 7.8 110.6 179.955 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 21.0 p -60.04 -42.08 93.66 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.219 -0.446 . . . . 10.04 110.516 179.979 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 2.9 mtpp -63.79 -34.46 77.95 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.154 -0.475 . . . . 16.38 110.628 -179.939 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 32.0 mt-10 -75.34 -43.66 49.43 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.24 -0.436 . . . . 5.59 110.517 179.977 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 1.4 mt -63.61 -59.4 4.67 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.187 -0.461 . . . . 7.72 110.573 -179.978 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 33' ' ' GLY . . . . . 0.446 ' O ' ' N ' ' A' ' 37' ' ' ARG . . . -44.03 -52.45 6.88 Favored Glycine 0 CA--C 1.525 0.688 0 N-CA-C 110.927 -0.869 . . . . 6.93 110.927 179.988 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 29.3 m -49.23 -42.32 40.2 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.772 0.32 . . . . 9.63 110.488 179.939 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 73.6 t -64.52 -51.52 66.76 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.224 -0.443 . . . . 7.07 110.536 179.954 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 36' ' ' MET . . . . . . . . . . . . . 19.2 mmt -68.97 -24.75 64.29 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.22 -0.446 . . . . 10.12 110.475 179.979 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 37' ' ' ARG . . . . . 0.446 ' N ' ' O ' ' A' ' 33' ' ' GLY . 54.9 ttm-85 -65.32 -31.01 71.92 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.215 -0.448 . . . . 9.87 110.533 179.988 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -82.24 -16.05 50.91 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.186 -0.461 . . . . 8.15 110.528 -180.0 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 7.5 mp -87.78 15.0 7.54 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.19 -0.459 . . . . 12.78 110.576 179.968 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 74.51 20.79 79.46 Favored Glycine 0 CA--C 1.525 0.689 0 N-CA-C 110.924 -0.87 . . . . 9.6 110.924 179.986 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 41' ' ' GLN . . . . . 0.402 ' HG3' ' N ' ' A' ' 42' ' ' ASN . 2.1 tp-100 -102.52 146.11 28.61 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.809 0.337 . . . . 20.35 110.58 -179.975 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 42' ' ' ASN . . . . . 0.402 ' N ' ' HG3' ' A' ' 41' ' ' GLN . 83.8 m-20 -136.72 80.02 38.58 Favored Pre-proline 0 C--N 1.329 -0.286 0 CA-C-N 116.195 -0.457 . . . . 10.22 110.556 179.971 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 43' ' ' PRO . . . . . 0.406 ' CG ' HD13 ' A' ' 48' ' ' LEU . 60.3 Cg_endo -78.1 155.24 29.57 Favored 'Trans proline' 0 C--N 1.306 -1.679 0 C-N-CA 122.809 2.339 . . . . 8.63 112.224 -179.897 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -81.01 168.43 18.69 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.18 -0.464 . . . . 4.83 110.509 179.982 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 62.6 tt0 -62.38 -42.19 99.22 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.176 -0.465 . . . . 16.78 110.567 179.967 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -77.95 -21.88 50.36 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.212 -0.449 . . . . 4.8 110.534 179.98 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 43.4 mt-10 -72.28 -53.03 13.66 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.194 -0.457 . . . . 6.18 110.544 179.993 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 48' ' ' LEU . . . . . 0.441 ' O ' ' N ' ' A' ' 51' ' ' MET . 4.7 tp -68.77 -53.25 22.91 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.21 -0.45 . . . . 6.65 110.578 179.968 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 6.6 tp-100 -47.0 -46.1 21.55 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.144 -0.48 . . . . 7.05 110.546 179.976 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 2.6 t70 -69.82 -18.36 63.45 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.216 -0.447 . . . . 6.72 110.532 179.947 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 51' ' ' MET . . . . . 0.441 ' N ' ' O ' ' A' ' 48' ' ' LEU . 4.7 ttt -68.45 -50.13 54.82 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.164 -0.471 . . . . 13.6 110.554 -179.986 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 1.5 mp -53.94 -46.11 64.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.231 -0.44 . . . . 8.71 110.449 179.975 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 64.3 t30 -43.41 -48.78 7.15 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.26 -0.427 . . . . 9.04 110.482 -179.994 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 70.8 mt-10 -51.21 -49.13 61.64 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.185 -0.461 . . . . 23.58 110.57 179.985 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 55' ' ' VAL . . . . . 0.595 HG22 ' HG3' ' A' ' 71' ' ' MET . 2.4 t -83.75 -4.37 8.42 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.232 -0.44 . . . . 7.6 110.553 -179.98 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 56' ' ' ASP . . . . . 0.558 ' OD1' ' O ' ' A' ' 62' ' ' THR . 1.1 t70 -107.52 96.99 6.79 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.186 -0.461 . . . . 12.55 110.59 179.966 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -83.25 -44.56 14.84 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.217 -0.447 . . . . 15.13 110.533 -179.98 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -78.74 -5.71 53.94 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.209 -0.45 . . . . 14.32 110.547 179.999 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 59' ' ' GLY . . . . . 0.429 ' CA ' ' OD2' ' A' ' 56' ' ' ASP . . . 56.45 49.84 66.53 Favored Glycine 0 CA--C 1.524 0.644 0 N-CA-C 110.963 -0.855 . . . . 13.64 110.963 -179.999 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 60' ' ' ASP . . . . . 0.413 ' N ' ' OD2' ' A' ' 56' ' ' ASP . 20.6 p-10 -87.32 -17.94 31.27 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.815 0.341 . . . . 13.27 110.541 -179.959 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 105.73 -10.09 44.89 Favored Glycine 0 CA--C 1.525 0.661 0 N-CA-C 110.939 -0.864 . . . . 11.65 110.939 -179.983 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 62' ' ' THR . . . . . 0.558 ' O ' ' OD1' ' A' ' 56' ' ' ASP . 1.7 p -138.19 178.61 7.0 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.735 0.302 . . . . 11.55 110.541 -179.966 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 63' ' ' ILE . . . . . 0.457 HD12 ' N ' ' A' ' 63' ' ' ILE . 1.7 mp -111.03 141.36 26.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.217 -0.447 . . . . 10.06 110.666 -179.922 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 64' ' ' ASP . . . . . 0.543 ' O ' ' CB ' ' A' ' 68' ' ' PHE . 21.3 m-20 -116.48 -179.17 3.6 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.107 -0.497 . . . . 11.33 110.451 179.983 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 65' ' ' PHE . . . . . 0.503 ' N ' ' CD ' ' A' ' 66' ' ' PRO . 0.1 OUTLIER -70.27 -50.23 15.82 Favored Pre-proline 0 C--N 1.33 -0.271 0 CA-C-N 116.418 -0.356 . . . . 7.4 110.692 -179.779 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 66' ' ' PRO . . . . . 0.504 ' O ' ' OG1' ' A' ' 70' ' ' THR . 31.4 Cg_exo -55.08 -36.47 92.93 Favored 'Trans proline' 0 C--N 1.306 -1.695 0 C-N-CA 122.628 2.219 . . . . 6.66 111.994 -179.902 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 18.1 mt-10 -91.08 -38.81 12.54 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.227 -0.442 . . . . 7.44 110.545 179.991 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 68' ' ' PHE . . . . . 0.543 ' CB ' ' O ' ' A' ' 64' ' ' ASP . 13.5 t80 -56.19 -38.11 70.51 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.239 -0.437 . . . . 8.58 110.595 -179.995 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 69' ' ' LEU . . . . . 0.426 HD23 ' CD2' ' A' ' 12' ' ' PHE . 0.7 OUTLIER -83.67 -43.38 15.64 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.23 -0.441 . . . . 9.43 110.323 179.517 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 70' ' ' THR . . . . . 0.504 ' OG1' ' O ' ' A' ' 66' ' ' PRO . 88.7 m -62.46 -45.9 90.94 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.095 -0.502 . . . . 7.53 110.508 179.956 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 71' ' ' MET . . . . . 0.651 ' SD ' ' N ' ' A' ' 72' ' ' MET . 1.4 tmt? -48.01 -46.1 32.57 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.158 -0.474 . . . . 11.86 110.446 179.965 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 72' ' ' MET . . . . . 0.651 ' N ' ' SD ' ' A' ' 71' ' ' MET . 6.8 ttt -72.67 -49.95 28.2 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.21 -0.45 . . . . 22.32 110.539 179.959 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -52.86 -56.31 16.73 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.182 -0.463 . . . . 9.15 110.537 179.975 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 12.4 mtp85 -46.16 -35.7 5.3 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.231 -0.44 . . . . 13.8 110.496 179.944 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 40.4 tttm -48.51 -47.42 38.89 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.136 -0.484 . . . . 25.18 110.483 179.932 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 76' ' ' MET . . . . . . . . . . . . . 4.1 mtt -67.72 -12.98 61.69 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.201 -0.454 . . . . 34.79 110.554 -179.988 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 33.7 mttm -112.21 39.81 2.35 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.191 -0.459 . . . . 37.65 110.559 -179.983 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 6.2 m-20 -163.72 167.85 20.49 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.247 -0.433 . . . . 42.58 110.581 -179.994 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 75.7 p -72.54 159.88 33.19 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.195 -0.457 . . . . 38.4 110.556 -179.993 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 14.2 m-20 -130.65 157.87 41.57 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.2 -0.455 . . . . 37.51 110.575 -179.978 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 81' ' ' SER . . . . . 0.451 ' C ' ' H ' ' A' ' 83' ' ' GLU . 10.9 t -114.96 123.04 48.08 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.179 -0.464 . . . . 33.12 110.628 179.951 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 29.6 tt0 -52.43 -10.38 0.14 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.216 -0.447 . . . . 34.28 110.637 -179.966 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 83' ' ' GLU . . . . . 0.451 ' H ' ' C ' ' A' ' 81' ' ' SER . 33.3 tt0 -60.3 -60.44 3.81 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.231 -0.441 . . . . 30.91 110.568 -179.942 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 5.2 tp10 -57.62 -20.92 36.26 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.22 -0.446 . . . . 22.86 110.594 -179.968 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 85' ' ' ILE . . . . . 0.418 ' CD1' ' HE1' ' A' ' 145' ' ' MET . 13.6 mt -83.03 -22.32 8.75 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.237 -0.438 . . . . 19.17 110.605 179.973 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 54.3 ttt85 -81.57 -54.46 5.4 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.268 -0.424 . . . . 26.85 110.616 -179.956 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 1.2 tp10 -59.87 -61.79 2.35 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.224 -0.444 . . . . 16.48 110.581 -179.983 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -46.79 -36.13 6.98 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.207 -0.452 . . . . 9.91 110.576 -179.95 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 89' ' ' PHE . . . . . 0.426 ' C ' ' CD2' ' A' ' 89' ' ' PHE . 27.1 t80 -69.54 -34.16 73.82 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.241 -0.436 . . . . 8.53 110.642 179.997 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 14.1 mtp-105 -73.96 -46.41 44.19 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.233 -0.44 . . . . 17.58 110.61 -179.935 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 91' ' ' VAL . . . . . . . . . . . . . 33.8 t -49.99 -17.3 0.43 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.235 -0.439 . . . . 7.82 110.552 -179.847 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 92' ' ' PHE . . . . . . . . . . . . . 6.2 m-85 -95.41 -42.87 8.27 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.234 -0.439 . . . . 9.11 110.491 179.901 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 93' ' ' ASP . . . . . 0.533 ' CG ' ' O ' ' A' ' 99' ' ' TYR . 43.6 t0 -98.12 69.33 2.02 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.142 -0.481 . . . . 11.11 110.584 180.0 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 2.2 mtmp? -47.28 -18.47 0.11 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.213 -0.449 . . . . 14.57 111.056 -179.721 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 95' ' ' ASP . . . . . 0.484 ' OD1' ' OE1' ' A' ' 104' ' ' GLU . 0.9 OUTLIER -75.09 -11.52 60.11 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.868 0.366 . . . . 10.2 110.72 -179.72 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 60.22 9.64 12.43 Favored Glycine 0 CA--C 1.525 0.671 0 N-CA-C 110.974 -0.85 . . . . 6.24 110.974 179.991 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 97' ' ' ASN . . . . . 0.679 ' O ' ' CE1' ' A' ' 99' ' ' TYR . 30.8 m120 -68.79 2.57 2.46 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.841 0.353 . . . . 7.56 110.439 179.89 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 98' ' ' GLY . . . . . 0.47 ' C ' ' CD2' ' A' ' 99' ' ' TYR . . . 64.95 9.55 40.99 Favored Glycine 0 CA--C 1.525 0.701 0 N-CA-C 110.964 -0.855 . . . . 7.08 110.964 179.962 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 99' ' ' TYR . . . . . 0.679 ' CE1' ' O ' ' A' ' 97' ' ' ASN . 1.3 m-85 -129.11 145.16 51.35 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.815 0.34 . . . . 9.0 110.677 179.998 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 81.0 mt -122.04 108.44 21.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.192 -0.458 . . . . 9.29 110.476 179.946 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 101' ' ' SER . . . . . 0.415 ' HA ' ' CB ' ' A' ' 135' ' ' GLN . 0.4 OUTLIER -90.46 151.63 21.31 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.271 -0.422 . . . . 7.02 110.703 -179.955 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -46.66 -38.74 10.18 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.08 -0.509 . . . . 6.41 110.621 -179.966 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -53.44 -59.98 3.88 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.25 -0.432 . . . . 5.01 110.635 -179.99 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 104' ' ' GLU . . . . . 0.484 ' OE1' ' OD1' ' A' ' 95' ' ' ASP . 14.3 mt-10 -60.84 -51.78 67.88 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.213 -0.449 . . . . 6.84 110.611 -179.971 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 105' ' ' LEU . . . . . 0.537 HD23 HG13 ' A' ' 121' ' ' VAL . 3.3 tp -47.71 -45.69 28.89 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.192 -0.458 . . . . 4.99 110.57 -179.941 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 106' ' ' ARG . . . . . 0.465 ' O ' ' OG1' ' A' ' 110' ' ' THR . 0.6 OUTLIER -70.59 -16.2 62.83 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.204 -0.453 . . . . 15.24 110.543 -179.964 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 107' ' ' HIS . . . . . 0.425 ' N ' ' O ' ' A' ' 104' ' ' GLU . 32.2 t-80 -80.52 -48.44 12.77 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.236 -0.438 . . . . 15.69 110.597 -179.949 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 108' ' ' VAL . . . . . . . . . . . . . 32.9 t -75.78 -26.11 17.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.198 -0.455 . . . . 12.28 110.623 -179.962 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 109' ' ' MET . . . . . . . . . . . . . 4.5 mmt -78.48 -17.81 55.75 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.186 -0.461 . . . . 9.53 110.591 -179.957 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 110' ' ' THR . . . . . 0.465 ' OG1' ' O ' ' A' ' 106' ' ' ARG . 97.5 m -82.34 -40.57 21.22 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.207 -0.452 . . . . 11.87 110.605 -179.933 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 111' ' ' ASN . . . . . . . . . . . . . 48.5 t-20 -76.7 -18.14 58.7 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.269 -0.423 . . . . 21.65 110.497 -179.996 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 112' ' ' LEU . . . . . 0.417 ' HA ' HD22 ' A' ' 112' ' ' LEU . 0.1 OUTLIER -50.1 -26.24 4.27 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.196 -0.456 . . . . 19.55 110.572 179.989 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . 115.09 -2.22 22.61 Favored Glycine 0 CA--C 1.525 0.699 0 N-CA-C 110.864 -0.895 . . . . 19.66 110.864 -179.985 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 114' ' ' GLU . . . . . 0.471 ' OE1' ' N ' ' A' ' 114' ' ' GLU . 4.3 mp0 -124.3 123.48 40.31 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.664 0.269 . . . . 25.55 110.476 179.861 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 1.5 tptp -78.79 115.7 18.65 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.362 -0.381 . . . . 23.26 110.51 -179.91 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 116' ' ' LEU . . . . . 0.6 ' CD2' ' OE1' ' A' ' 120' ' ' GLU . 1.2 mt -109.17 158.83 17.43 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.169 -0.469 . . . . 23.07 110.535 -179.999 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 117' ' ' THR . . . . . . . . . . . . . 30.3 p -89.55 150.29 22.5 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.254 -0.43 . . . . 19.41 110.531 179.994 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 118' ' ' ASP . . . . . . . . . . . . . 49.8 t0 -70.67 -25.78 63.14 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.212 -0.449 . . . . 18.08 110.584 179.967 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 119' ' ' GLU . . . . . 0.51 ' N ' ' CD ' ' A' ' 119' ' ' GLU . 0.2 OUTLIER -68.56 -45.04 73.18 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.185 -0.461 . . . . 20.16 110.575 179.969 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 120' ' ' GLU . . . . . 0.6 ' OE1' ' CD2' ' A' ' 116' ' ' LEU . 65.3 tt0 -67.8 -33.57 75.06 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.213 -0.448 . . . . 14.19 110.524 -179.947 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 121' ' ' VAL . . . . . 0.537 HG13 HD23 ' A' ' 105' ' ' LEU . 68.9 t -75.85 -44.52 38.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.201 -0.454 . . . . 14.97 110.543 -179.999 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 122' ' ' ASP . . . . . . . . . . . . . 35.4 t0 -73.35 -42.59 62.06 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.213 -0.449 . . . . 20.12 110.539 179.999 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 123' ' ' GLU . . . . . 0.403 ' CB ' ' O ' ' A' ' 119' ' ' GLU . 39.0 tt0 -61.41 -35.92 78.89 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.24 -0.436 . . . . 15.72 110.577 179.989 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 124' ' ' MET . . . . . . . . . . . . . 34.8 ttp -66.91 -61.43 1.95 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.175 -0.466 . . . . 9.75 110.52 179.99 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 125' ' ' ILE . . . . . 0.515 ' O ' ' CB ' ' A' ' 129' ' ' ASP . 60.8 mt -56.83 -44.34 81.78 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.23 -0.441 . . . . 11.99 110.573 179.954 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 126' ' ' ARG . . . . . . . . . . . . . 8.9 tpt180 -55.08 -23.13 18.86 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.153 -0.476 . . . . 27.23 110.538 179.973 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 127' ' ' GLU . . . . . . . . . . . . . 20.3 tt0 -88.91 -54.66 4.03 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.193 -0.458 . . . . 15.5 110.536 -179.988 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 128' ' ' ALA . . . . . . . . . . . . . . . -70.86 -21.43 62.42 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.201 -0.454 . . . . 10.5 110.508 179.989 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 129' ' ' ASP . . . . . 0.619 ' OD1' ' N ' ' A' ' 132' ' ' GLY . 50.7 t0 -75.39 92.79 2.84 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.164 -0.471 . . . . 10.86 110.513 179.973 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 130' ' ' ILE . . . . . . . . . . . . . 2.2 mt -48.85 -40.5 12.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.181 -0.463 . . . . 12.26 110.637 -179.914 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 131' ' ' ASP . . . . . 0.425 ' CB ' ' OD2' ' A' ' 133' ' ' ASP . 60.3 m-20 -83.34 -17.96 40.58 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.291 -0.413 . . . . 7.79 110.648 -179.881 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 132' ' ' GLY . . . . . 0.619 ' N ' ' OD1' ' A' ' 129' ' ' ASP . . . 52.81 54.43 28.33 Favored Glycine 0 CA--C 1.524 0.635 0 N-CA-C 110.946 -0.861 . . . . 3.93 110.946 -179.928 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 133' ' ' ASP . . . . . 0.512 ' OD2' ' N ' ' A' ' 133' ' ' ASP . 0.0 OUTLIER -100.93 -12.5 18.9 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.799 0.333 . . . . 9.56 110.66 -179.979 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 134' ' ' GLY . . . . . . . . . . . . . . . 105.04 8.85 35.59 Favored Glycine 0 CA--C 1.524 0.63 0 N-CA-C 110.971 -0.852 . . . . 7.32 110.971 -179.98 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 135' ' ' GLN . . . . . 0.415 ' CB ' ' HA ' ' A' ' 101' ' ' SER . 4.0 pt20 -146.14 166.19 26.92 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.753 0.311 . . . . 22.05 110.441 179.935 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 136' ' ' VAL . . . . . . . . . . . . . 38.6 t -121.77 100.14 8.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.323 -0.399 . . . . 10.34 110.634 179.999 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 137' ' ' ASN . . . . . . . . . . . . . 3.3 m120 -67.88 159.85 29.64 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.083 -0.508 . . . . 12.02 110.629 -179.987 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 138' ' ' TYR . . . . . . . . . . . . . 33.5 t80 -52.51 -37.34 57.23 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.246 -0.434 . . . . 8.75 110.513 179.982 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 139' ' ' GLU . . . . . . . . . . . . . 1.6 tm-20 -57.55 -37.59 73.35 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.168 -0.469 . . . . 22.33 110.52 -179.968 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 140' ' ' GLU . . . . . . . . . . . . . 1.9 mt-10 -65.09 -39.64 93.48 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.204 -0.453 . . . . 13.45 110.544 179.988 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 141' ' ' PHE . . . . . . . . . . . . . 2.1 m-85 -51.89 -56.91 11.22 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.163 -0.472 . . . . 8.25 110.515 179.889 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 142' ' ' VAL . . . . . 0.44 ' O ' ' CG ' ' A' ' 145' ' ' MET . 71.4 t -52.48 -23.26 4.42 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.164 -0.471 . . . . 10.15 110.49 179.95 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 143' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER -70.03 -46.87 64.13 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.185 -0.462 . . . . 8.24 110.494 179.904 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 144' ' ' MET . . . . . . . . . . . . . 5.0 ttt -48.71 -24.73 1.48 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.138 -0.483 . . . . 6.68 110.523 -179.943 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 145' ' ' MET . . . . . 0.44 ' CG ' ' O ' ' A' ' 142' ' ' VAL . 16.8 ptp . . . . . 0 C--N 1.329 -0.309 0 CA-C-N 116.229 -0.441 . . . . 13.37 110.548 179.864 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 37.0 tt0 . . . . . 0 C--O 1.231 0.089 0 CA-C-O 120.799 0.333 . . . . 23.46 110.577 . . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 1.2 tp -77.56 126.96 31.7 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.219 -0.446 . . . . 14.38 110.554 179.987 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 5' ' ' THR . . . . . 0.467 ' OG1' ' NE2' ' A' ' 8' ' ' GLN . 69.5 p -72.64 151.39 42.31 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.181 -0.463 . . . . 7.34 110.57 -179.974 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 6' ' ' GLU . . . . . 0.441 ' HG2' ' H ' ' A' ' 7' ' ' GLU . 1.0 OUTLIER -49.05 -44.12 41.43 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.227 -0.442 . . . . 7.12 110.525 179.969 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 7' ' ' GLU . . . . . 0.535 ' C ' ' OE1' ' A' ' 8' ' ' GLN . 25.1 mt-10 -53.16 -28.28 25.47 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.223 -0.444 . . . . 6.85 110.528 179.997 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 8' ' ' GLN . . . . . 0.545 ' OE1' ' N ' ' A' ' 8' ' ' GLN . 0.8 OUTLIER -90.69 -51.69 5.25 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.165 -0.47 . . . . 15.1 110.653 179.975 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 76.8 mt -48.68 -31.18 3.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.193 -0.458 . . . . 4.72 110.553 179.98 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -78.11 -59.45 2.77 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.248 -0.433 . . . . 6.68 110.551 -179.924 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 11.3 tm-20 -44.06 -32.13 1.1 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.265 -0.425 . . . . 18.49 110.613 -179.935 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 12' ' ' PHE . . . . . 0.57 ' CB ' HD21 ' A' ' 69' ' ' LEU . 8.0 m-85 -75.13 -50.06 17.56 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.193 -0.458 . . . . 14.89 110.595 179.941 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 1.7 tmtt? -46.95 -35.17 6.22 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.185 -0.462 . . . . 18.39 110.45 179.991 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 9.6 mm-40 -61.96 -48.91 78.26 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.185 -0.461 . . . . 22.76 110.511 179.988 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 15' ' ' ALA . . . . . 0.48 ' O ' ' CB ' ' A' ' 18' ' ' LEU . . . -45.82 -51.55 12.69 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.176 -0.466 . . . . 5.67 110.574 179.92 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 16' ' ' PHE . . . . . 0.527 ' CE2' HD11 ' A' ' 27' ' ' ILE . 0.1 OUTLIER -42.8 -60.17 1.68 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.153 -0.476 . . . . 13.28 110.416 179.995 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 66.7 m -45.33 -21.44 0.09 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.145 -0.479 . . . . 12.16 110.492 179.998 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 18' ' ' LEU . . . . . 0.48 ' CB ' ' O ' ' A' ' 15' ' ' ALA . 10.2 tp -75.71 -39.01 58.09 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.157 -0.474 . . . . 17.89 110.522 179.971 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 19' ' ' PHE . . . . . 0.429 ' N ' ' O ' ' A' ' 16' ' ' PHE . 52.9 m-85 -90.03 -50.32 6.08 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.252 -0.431 . . . . 9.14 110.515 -179.957 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 1.7 m-20 -72.98 68.19 0.9 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.24 -0.436 . . . . 7.47 110.575 179.994 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 4.8 ttpt -60.85 -19.65 60.41 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.098 -0.501 . . . . 27.75 110.62 -179.952 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 22' ' ' ASP . . . . . 0.511 ' OD1' ' OE2' ' A' ' 31' ' ' GLU . 8.5 m-20 -95.09 -15.26 23.53 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.242 -0.435 . . . . 14.13 110.6 -179.914 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 63.12 37.76 95.45 Favored Glycine 0 CA--C 1.526 0.727 0 N-CA-C 110.909 -0.877 . . . . 11.51 110.909 179.987 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 31.2 m-20 -79.78 -29.83 40.48 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.788 0.327 . . . . 14.28 110.588 -179.989 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 105.18 5.61 40.29 Favored Glycine 0 CA--C 1.525 0.671 0 N-CA-C 110.918 -0.873 . . . . 9.47 110.918 -179.939 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 4.3 p -148.66 143.32 26.42 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.801 0.334 . . . . 16.41 110.576 -179.987 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 27' ' ' ILE . . . . . 0.527 HD11 ' CE2' ' A' ' 16' ' ' PHE . 1.3 mt -107.86 125.15 64.39 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.21 -0.45 . . . . 8.03 110.535 179.995 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 1.5 p -107.32 170.69 7.81 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.19 -0.459 . . . . 7.8 110.558 -179.989 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 1.3 m -70.46 -19.53 62.95 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.183 -0.462 . . . . 10.04 110.548 -179.962 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 32.6 tptt -74.68 -35.49 62.79 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.22 -0.446 . . . . 16.38 110.623 -179.98 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 31' ' ' GLU . . . . . 0.511 ' OE2' ' OD1' ' A' ' 22' ' ' ASP . 30.7 mt-10 -85.32 -28.65 25.1 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.219 -0.446 . . . . 5.59 110.57 -180.0 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 32' ' ' LEU . . . . . 0.497 ' HA ' HD22 ' A' ' 32' ' ' LEU . 0.2 OUTLIER -64.61 -59.87 3.79 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.18 -0.464 . . . . 7.72 110.573 -179.95 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 33' ' ' GLY . . . . . 0.53 ' O ' ' N ' ' A' ' 37' ' ' ARG . . . -57.26 -48.75 77.85 Favored Glycine 0 CA--C 1.525 0.661 0 N-CA-C 110.913 -0.875 . . . . 6.93 110.913 179.979 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 97.7 m -49.48 -43.76 45.42 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.804 0.335 . . . . 9.63 110.506 179.984 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 35' ' ' VAL . . . . . 0.623 ' O ' HD13 ' A' ' 39' ' ' LEU . 72.8 t -71.9 -38.18 63.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.206 -0.452 . . . . 7.07 110.557 -179.993 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 36' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -77.0 -22.36 53.23 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.184 -0.462 . . . . 10.12 110.559 179.995 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 37' ' ' ARG . . . . . 0.53 ' N ' ' O ' ' A' ' 33' ' ' GLY . 36.8 ttm180 -72.54 -31.44 65.3 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.169 -0.469 . . . . 9.87 110.602 179.995 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 32.8 t -85.73 -14.47 45.19 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.225 -0.443 . . . . 8.15 110.611 179.947 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 39' ' ' LEU . . . . . 0.623 HD13 ' O ' ' A' ' 35' ' ' VAL . 4.1 mp -80.98 8.09 9.22 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.175 -0.466 . . . . 12.78 110.585 179.962 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 87.14 5.44 80.21 Favored Glycine 0 CA--C 1.525 0.702 0 N-CA-C 110.912 -0.875 . . . . 9.6 110.912 179.955 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 3.0 mm-40 -99.91 151.27 21.51 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.748 0.309 . . . . 20.35 110.6 -179.958 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 49.8 m-20 -131.98 80.03 65.89 Favored Pre-proline 0 C--N 1.328 -0.332 0 CA-C-N 116.226 -0.443 . . . . 10.22 110.543 179.933 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 43' ' ' PRO . . . . . 0.459 ' CG ' HD21 ' A' ' 48' ' ' LEU . 60.5 Cg_endo -78.13 150.6 26.28 Favored 'Trans proline' 0 C--N 1.306 -1.689 0 C-N-CA 122.792 2.328 . . . . 8.63 112.24 -179.91 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 44' ' ' THR . . . . . 0.493 ' O ' ' N ' ' A' ' 47' ' ' GLU . 66.5 m -98.94 152.19 20.05 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.148 -0.478 . . . . 4.83 110.56 179.896 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 16.6 mt-10 -45.43 -32.17 2.02 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.258 -0.428 . . . . 16.78 110.532 -179.939 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 46' ' ' ALA . . . . . 0.407 ' H ' HG22 ' A' ' 44' ' ' THR . . . -73.63 -26.62 60.86 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.197 -0.456 . . . . 4.8 110.534 179.991 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 47' ' ' GLU . . . . . 0.493 ' N ' ' O ' ' A' ' 44' ' ' THR . 52.0 tt0 -78.55 -60.76 2.24 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.225 -0.443 . . . . 6.18 110.585 -179.997 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 48' ' ' LEU . . . . . 0.459 HD21 ' CG ' ' A' ' 43' ' ' PRO . 68.8 mt -50.21 -49.5 52.54 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.195 -0.457 . . . . 6.65 110.559 179.968 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 19.3 tt0 -49.56 -43.72 46.2 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.177 -0.465 . . . . 7.05 110.558 -179.999 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 11.8 t70 -73.37 -28.42 62.02 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.228 -0.442 . . . . 6.72 110.546 179.993 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 51' ' ' MET . . . . . . . . . . . . . 26.2 ttm -69.52 -59.95 2.65 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.234 -0.439 . . . . 13.6 110.564 179.965 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 52' ' ' ILE . . . . . 0.436 ' HA ' HD13 ' A' ' 52' ' ' ILE . 36.2 mm -49.0 -47.21 16.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.212 -0.449 . . . . 8.71 110.579 179.965 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 8.9 m-20 -48.82 -46.5 42.03 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.246 -0.434 . . . . 9.04 110.522 179.942 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -51.18 -37.0 43.97 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.21 -0.45 . . . . 23.58 110.547 -179.909 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 55' ' ' VAL . . . . . 0.426 HG11 HD13 ' A' ' 63' ' ' ILE . 19.0 t -93.67 -18.73 6.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.236 -0.438 . . . . 7.6 110.533 179.997 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 56' ' ' ASP . . . . . 0.576 ' OD1' ' OD1' ' A' ' 60' ' ' ASP . 40.8 t0 -107.61 92.07 3.92 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.165 -0.47 . . . . 12.55 110.582 179.993 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -82.69 -31.64 28.48 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.213 -0.449 . . . . 15.13 110.6 -179.96 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -80.5 -10.16 59.75 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.192 -0.458 . . . . 14.32 110.603 179.966 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 61.45 47.78 88.74 Favored Glycine 0 CA--C 1.524 0.634 0 N-CA-C 110.989 -0.844 . . . . 13.64 110.989 -179.957 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 60' ' ' ASP . . . . . 0.652 ' OD1' ' N ' ' A' ' 60' ' ' ASP . 0.0 OUTLIER -87.57 -9.99 52.82 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.792 0.33 . . . . 13.27 110.564 -179.993 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 88.41 -3.73 85.3 Favored Glycine 0 CA--C 1.525 0.697 0 N-CA-C 110.885 -0.886 . . . . 11.65 110.885 -179.999 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 52.2 p -140.78 178.61 7.22 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.794 0.331 . . . . 11.55 110.591 -179.96 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 63' ' ' ILE . . . . . 0.491 HD12 ' HB ' ' A' ' 27' ' ' ILE . 98.6 mt -119.96 141.22 41.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.227 -0.442 . . . . 10.06 110.543 -179.983 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 64' ' ' ASP . . . . . 0.623 ' OD1' ' N ' ' A' ' 64' ' ' ASP . 0.0 OUTLIER -96.2 -178.86 4.46 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.215 -0.448 . . . . 11.33 110.541 179.961 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 65' ' ' PHE . . . . . 0.547 ' N ' ' HD2' ' A' ' 66' ' ' PRO . 3.0 t80 -85.03 -45.1 0.67 Allowed Pre-proline 0 CA--C 1.532 0.282 0 CA-C-N 116.288 -0.415 . . . . 7.4 111.217 -179.956 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 66' ' ' PRO . . . . . 0.547 ' HD2' ' N ' ' A' ' 65' ' ' PHE . 55.8 Cg_endo -74.7 -42.83 0.51 Allowed 'Trans proline' 0 N--CA 1.492 1.386 0 C-N-CA 122.021 1.814 . . . . 6.66 111.952 -179.946 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 67' ' ' GLU . . . . . 0.539 ' OE1' ' CG ' ' A' ' 64' ' ' ASP . 11.4 pt-20 -67.22 -19.0 65.48 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.226 -0.443 . . . . 7.44 110.26 179.688 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 68' ' ' PHE . . . . . . . . . . . . . 20.2 t80 -73.2 -25.12 60.64 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.018 -0.537 . . . . 8.58 110.384 179.871 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 69' ' ' LEU . . . . . 0.57 HD21 ' CB ' ' A' ' 12' ' ' PHE . 0.7 OUTLIER -83.24 -30.58 27.57 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.182 -0.463 . . . . 9.43 110.316 179.596 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 1.2 m -64.04 -55.18 24.11 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.123 -0.489 . . . . 7.53 110.586 -179.948 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 71' ' ' MET . . . . . 0.413 ' SD ' ' HG2' ' A' ' 72' ' ' MET . 0.0 OUTLIER -49.08 -44.78 42.29 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.191 -0.459 . . . . 11.86 110.561 179.979 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 72' ' ' MET . . . . . 0.413 ' HG2' ' SD ' ' A' ' 71' ' ' MET . 8.0 mmm -79.25 -40.69 29.96 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.221 -0.445 . . . . 22.32 110.654 -179.953 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 73' ' ' ALA . . . . . 0.443 ' CB ' ' O ' ' A' ' 69' ' ' LEU . . . -64.54 -56.41 14.21 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.222 -0.445 . . . . 9.15 110.645 -179.955 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 12.8 ttt180 -45.27 -40.48 7.6 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.181 -0.463 . . . . 13.8 110.597 -179.996 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 30.8 tptt -51.58 -46.37 63.45 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.178 -0.464 . . . . 25.18 110.523 -179.973 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 76' ' ' MET . . . . . . . . . . . . . 59.7 mmm -60.99 -34.69 75.18 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.244 -0.434 . . . . 34.79 110.561 179.964 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 26.7 mtmm -94.65 39.92 1.09 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.216 -0.447 . . . . 37.65 110.58 -179.984 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 78' ' ' ASP . . . . . 0.405 ' CG ' ' H ' ' A' ' 79' ' ' THR . 28.2 t0 -158.07 -173.37 4.31 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.16 -0.473 . . . . 42.58 110.533 -179.978 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 79' ' ' THR . . . . . 0.405 ' H ' ' CG ' ' A' ' 78' ' ' ASP . 70.5 p -72.7 163.51 27.97 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.202 -0.454 . . . . 38.4 110.596 179.997 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 3.5 m-20 -123.01 147.19 46.93 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.207 -0.451 . . . . 37.51 110.573 -179.973 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 13.8 p -113.78 112.75 23.93 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.184 -0.462 . . . . 33.12 110.539 -179.989 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 82' ' ' GLU . . . . . 0.433 ' H ' ' CD ' ' A' ' 82' ' ' GLU . 0.3 OUTLIER -59.89 -11.48 5.63 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.253 -0.431 . . . . 34.28 110.51 -179.98 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 83' ' ' GLU . . . . . 0.435 ' HG3' HH11 ' A' ' 86' ' ' ARG . 30.4 tt0 -62.7 -56.27 19.22 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.252 -0.431 . . . . 30.91 110.565 -179.959 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 82.2 mt-10 -60.27 -32.87 71.59 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.221 -0.445 . . . . 22.86 110.573 179.988 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 85' ' ' ILE . . . . . . . . . . . . . 8.1 mt -66.92 -20.48 27.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.231 -0.441 . . . . 19.17 110.569 -179.992 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 86' ' ' ARG . . . . . 0.435 HH11 ' HG3' ' A' ' 83' ' ' GLU . 40.0 mtm180 -82.41 -52.27 7.05 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.15 -0.477 . . . . 26.85 110.53 179.993 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 87' ' ' GLU . . . . . 0.447 ' HA ' ' NH2' ' A' ' 90' ' ' ARG . 4.0 tt0 -68.5 -54.66 15.43 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.174 -0.466 . . . . 16.48 110.561 180.0 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -48.52 -45.31 37.14 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.209 -0.45 . . . . 9.91 110.568 179.998 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 89' ' ' PHE . . . . . 0.499 ' C ' ' CD2' ' A' ' 89' ' ' PHE . 16.1 t80 -65.62 -29.97 70.62 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.239 -0.437 . . . . 8.53 110.584 179.975 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 90' ' ' ARG . . . . . 0.447 ' NH2' ' HA ' ' A' ' 87' ' ' GLU . 14.4 ttm105 -79.71 -18.92 50.13 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.18 -0.464 . . . . 17.58 110.585 179.95 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 91' ' ' VAL . . . . . . . . . . . . . 55.2 t -66.12 -26.52 38.41 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 116.192 -0.458 . . . . 7.82 110.589 -179.982 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 92' ' ' PHE . . . . . 0.491 ' CD1' HG11 ' A' ' 108' ' ' VAL . 86.6 m-85 -95.31 -41.43 9.03 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.161 -0.472 . . . . 9.11 110.702 179.986 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 93' ' ' ASP . . . . . 0.562 ' OD2' ' O ' ' A' ' 99' ' ' TYR . 7.4 t0 -80.36 68.82 6.66 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.198 -0.456 . . . . 11.11 110.655 -179.877 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 77.8 mttt -49.42 -19.02 0.46 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.222 -0.444 . . . . 14.57 111.122 -179.662 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 95' ' ' ASP . . . . . 0.572 ' OD1' ' OE1' ' A' ' 104' ' ' GLU . 1.8 m-20 -78.91 -13.87 59.55 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 120.857 0.36 . . . . 10.2 110.617 -179.918 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 60.49 11.77 23.02 Favored Glycine 0 CA--C 1.525 0.66 0 N-CA-C 111.024 -0.83 . . . . 6.24 111.024 -179.869 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 97' ' ' ASN . . . . . 0.677 ' ND2' ' CE1' ' A' ' 99' ' ' TYR . 32.9 p-10 -73.85 5.84 3.78 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.894 0.378 . . . . 7.56 110.359 179.794 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 98' ' ' GLY . . . . . 0.46 ' O ' ' CZ ' ' A' ' 89' ' ' PHE . . . 67.31 -7.83 1.7 Allowed Glycine 0 CA--C 1.526 0.728 0 N-CA-C 110.979 -0.849 . . . . 7.08 110.979 179.883 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 99' ' ' TYR . . . . . 0.677 ' CE1' ' ND2' ' A' ' 97' ' ' ASN . 0.8 OUTLIER -129.77 141.04 50.93 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.842 0.354 . . . . 9.0 110.58 -179.993 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 12.8 mt -122.1 128.67 75.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.194 -0.457 . . . . 9.29 110.469 179.94 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 101' ' ' SER . . . . . 0.455 ' C ' ' N ' ' A' ' 103' ' ' ALA . 5.2 p -91.91 151.53 20.49 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.276 -0.42 . . . . 7.02 110.675 -179.944 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -44.48 -19.31 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.069 -0.514 . . . . 6.41 110.652 -179.912 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 103' ' ' ALA . . . . . 0.455 ' N ' ' C ' ' A' ' 101' ' ' SER . . . -73.38 -60.02 2.44 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.203 -0.453 . . . . 5.01 110.663 -179.918 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 104' ' ' GLU . . . . . 0.572 ' OE1' ' OD1' ' A' ' 95' ' ' ASP . 8.8 mt-10 -63.85 -42.48 97.56 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.204 -0.453 . . . . 6.84 110.597 -179.944 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 105' ' ' LEU . . . . . 0.655 HD13 ' O ' ' A' ' 105' ' ' LEU . 0.2 OUTLIER -47.61 -51.04 22.65 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.258 -0.428 . . . . 4.99 110.585 -179.958 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 106' ' ' ARG . . . . . 0.569 ' O ' ' OG1' ' A' ' 110' ' ' THR . 55.7 ttt-85 -69.17 -28.13 66.14 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.216 -0.447 . . . . 15.24 110.622 -179.969 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 107' ' ' HIS . . . . . . . . . . . . . 54.2 t-80 -61.04 -45.21 95.71 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.184 -0.462 . . . . 15.69 110.643 -179.981 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 108' ' ' VAL . . . . . 0.491 HG11 ' CD1' ' A' ' 92' ' ' PHE . 55.7 t -68.94 -62.63 1.19 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.164 -0.471 . . . . 12.28 110.673 179.999 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 109' ' ' MET . . . . . . . . . . . . . 3.3 mmt -55.75 -18.81 9.16 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.171 -0.468 . . . . 9.53 110.649 -179.948 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 110' ' ' THR . . . . . 0.569 ' OG1' ' O ' ' A' ' 106' ' ' ARG . 1.4 m -71.38 -50.27 33.82 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.28 -0.418 . . . . 11.87 110.689 -179.963 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 111' ' ' ASN . . . . . . . . . . . . . 21.3 t-20 -74.94 -14.75 60.67 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.291 -0.413 . . . . 21.65 110.62 -179.997 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 112' ' ' LEU . . . . . 0.463 ' HA ' HD22 ' A' ' 112' ' ' LEU . 0.6 OUTLIER -50.04 -24.75 2.84 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.196 -0.457 . . . . 19.55 110.517 -179.988 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . 115.35 -2.0 22.2 Favored Glycine 0 CA--C 1.525 0.678 0 N-CA-C 110.798 -0.921 . . . . 19.66 110.798 -179.912 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 22.6 mp0 -124.54 128.08 48.38 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.723 0.297 . . . . 25.55 110.393 179.691 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 2.0 tptp -85.79 116.94 24.35 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.412 -0.358 . . . . 23.26 110.572 -179.925 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 116' ' ' LEU . . . . . . . . . . . . . 10.2 mt -109.96 145.54 36.76 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.232 -0.44 . . . . 23.07 110.554 179.95 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 117' ' ' THR . . . . . 0.622 ' O ' HG23 ' A' ' 121' ' ' VAL . 15.6 p -69.23 148.69 49.47 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.179 -0.464 . . . . 19.41 110.588 179.975 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 118' ' ' ASP . . . . . . . . . . . . . 9.3 p-10 -74.71 -42.23 58.73 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.213 -0.449 . . . . 18.08 110.572 179.944 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 119' ' ' GLU . . . . . . . . . . . . . 44.8 mt-10 -58.25 -27.69 64.22 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.197 -0.456 . . . . 20.16 110.596 179.991 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 120' ' ' GLU . . . . . . . . . . . . . 1.2 tp10 -82.28 -36.59 26.91 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.174 -0.466 . . . . 14.19 110.545 -179.962 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 121' ' ' VAL . . . . . 0.622 HG23 ' O ' ' A' ' 117' ' ' THR . 93.3 t -70.34 -43.55 78.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.24 -0.436 . . . . 14.97 110.57 179.978 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 122' ' ' ASP . . . . . . . . . . . . . 1.1 t70 -68.04 -51.89 41.67 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.214 -0.448 . . . . 20.12 110.563 179.997 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 123' ' ' GLU . . . . . . . . . . . . . 50.2 tp10 -53.23 -56.03 19.74 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.197 -0.456 . . . . 15.72 110.595 -179.971 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 124' ' ' MET . . . . . . . . . . . . . 10.6 mmt -48.52 -61.52 1.98 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.211 -0.449 . . . . 9.75 110.578 179.975 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 125' ' ' ILE . . . . . 0.469 HD11 ' HG ' ' A' ' 105' ' ' LEU . 21.0 mt -57.3 -53.82 38.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.144 -0.48 . . . . 11.99 110.566 -179.986 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 126' ' ' ARG . . . . . . . . . . . . . 69.3 ttt180 -46.06 -20.53 0.1 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.207 -0.451 . . . . 27.23 110.577 -179.986 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 127' ' ' GLU . . . . . 0.426 ' N ' ' C ' ' A' ' 125' ' ' ILE . 3.9 tt0 -81.85 -49.31 10.51 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.152 -0.476 . . . . 15.5 110.537 -179.969 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 128' ' ' ALA . . . . . . . . . . . . . . . -81.49 -12.89 58.7 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.237 -0.438 . . . . 10.5 110.579 179.994 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 129' ' ' ASP . . . . . 0.59 ' OD2' ' N ' ' A' ' 132' ' ' GLY . 37.1 t0 -72.19 92.78 1.39 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.194 -0.457 . . . . 10.86 110.594 179.975 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 130' ' ' ILE . . . . . . . . . . . . . 30.6 mt -49.53 -44.96 19.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.154 -0.475 . . . . 12.26 110.595 -179.973 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 131' ' ' ASP . . . . . 0.567 ' OD2' ' N ' ' A' ' 131' ' ' ASP . 0.1 OUTLIER -74.8 -17.77 60.57 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.171 -0.468 . . . . 7.79 110.622 -179.984 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 132' ' ' GLY . . . . . 0.59 ' N ' ' OD2' ' A' ' 129' ' ' ASP . . . 49.2 42.31 32.02 Favored Glycine 0 CA--C 1.524 0.635 0 N-CA-C 110.947 -0.861 . . . . 3.93 110.947 -179.97 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 133' ' ' ASP . . . . . 0.477 ' OD2' ' N ' ' A' ' 135' ' ' GLN . 12.9 p30 -100.12 -9.91 22.05 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.749 0.309 . . . . 9.56 110.575 179.972 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 134' ' ' GLY . . . . . . . . . . . . . . . 104.96 5.72 40.79 Favored Glycine 0 CA--C 1.524 0.649 0 N-CA-C 110.933 -0.867 . . . . 7.32 110.933 179.993 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 135' ' ' GLN . . . . . 0.546 ' O ' ' OD1' ' A' ' 129' ' ' ASP . 4.6 mp0 -136.68 157.78 45.98 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.824 0.345 . . . . 22.05 110.559 179.948 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 136' ' ' VAL . . . . . . . . . . . . . 48.5 t -111.71 139.34 36.51 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.233 -0.44 . . . . 10.34 110.605 -179.972 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 137' ' ' ASN . . . . . . . . . . . . . 14.6 m120 -109.78 159.53 17.11 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.146 -0.479 . . . . 12.02 110.355 179.649 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 138' ' ' TYR . . . . . . . . . . . . . 27.1 t80 -54.32 -31.34 53.99 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.381 -0.372 . . . . 8.75 110.497 179.919 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 139' ' ' GLU . . . . . . . . . . . . . 28.5 tt0 -64.32 -41.65 96.7 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.138 -0.483 . . . . 22.33 110.521 179.958 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 140' ' ' GLU . . . . . . . . . . . . . 2.2 mt-10 -61.48 -42.85 99.41 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.178 -0.465 . . . . 13.45 110.493 179.935 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 141' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER -50.18 -44.06 52.73 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.206 -0.452 . . . . 8.25 110.495 179.874 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 142' ' ' VAL . . . . . 0.656 ' O ' ' SD ' ' A' ' 145' ' ' MET . 6.4 t -59.26 -50.74 78.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.17 -0.468 . . . . 10.15 110.469 179.869 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 143' ' ' GLN . . . . . 0.446 ' H ' ' HG2' ' A' ' 143' ' ' GLN . 30.8 mm-40 -43.33 -38.37 2.64 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.194 -0.457 . . . . 8.24 110.48 179.873 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 144' ' ' MET . . . . . . . . . . . . . 2.9 mmt -55.21 -43.64 74.64 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.175 -0.466 . . . . 6.68 110.506 179.941 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 145' ' ' MET . . . . . 0.656 ' SD ' ' O ' ' A' ' 142' ' ' VAL . 1.1 ppp? . . . . . 0 C--N 1.329 -0.305 0 CA-C-N 116.23 -0.441 . . . . 13.37 110.55 179.971 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 39.6 mm-40 . . . . . 0 C--O 1.23 0.072 0 CA-C-O 120.833 0.349 . . . . 23.46 110.571 . . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 1.1 tp -78.9 126.92 31.34 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.172 -0.467 . . . . 14.38 110.594 -179.973 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 8.3 m -75.92 155.19 35.4 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.192 -0.458 . . . . 7.34 110.591 -179.98 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 6' ' ' GLU . . . . . 0.419 ' HG3' ' H ' ' A' ' 7' ' ' GLU . 0.8 OUTLIER -52.54 -47.0 67.02 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.196 -0.456 . . . . 7.12 110.561 179.986 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 7' ' ' GLU . . . . . 0.419 ' H ' ' HG3' ' A' ' 6' ' ' GLU . 42.0 mt-10 -52.07 -27.28 13.32 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.187 -0.46 . . . . 6.85 110.551 179.995 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 30.1 mt-30 -90.71 -47.9 7.37 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.218 -0.446 . . . . 15.1 110.543 -179.953 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 69.3 mt -57.3 -32.32 40.58 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.208 -0.451 . . . . 4.72 110.555 -179.95 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -72.24 -59.46 2.72 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.197 -0.456 . . . . 6.68 110.557 -179.964 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 11.2 tp10 -45.49 -39.88 7.79 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.243 -0.435 . . . . 18.49 110.554 -179.946 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 12' ' ' PHE . . . . . 0.5 ' CG ' HD21 ' A' ' 69' ' ' LEU . 3.9 m-85 -63.46 -44.34 94.74 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.22 -0.445 . . . . 14.89 110.596 180.0 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 13.8 ttmm -47.93 -32.32 6.25 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.165 -0.47 . . . . 18.39 110.579 179.909 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -66.63 -51.43 56.4 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.197 -0.456 . . . . 22.76 110.592 179.989 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -45.05 -48.29 11.76 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.238 -0.437 . . . . 5.67 110.543 179.977 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -49.84 -60.23 3.1 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.165 -0.471 . . . . 13.28 110.49 179.984 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -47.34 -21.59 0.31 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.164 -0.471 . . . . 12.16 110.473 179.966 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 18' ' ' LEU . . . . . 0.449 HD22 ' HA ' ' A' ' 18' ' ' LEU . 0.1 OUTLIER -74.96 -37.54 61.93 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.155 -0.475 . . . . 17.89 110.507 179.927 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 47.3 m-85 -90.05 -50.21 6.14 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.225 -0.443 . . . . 9.14 110.589 179.953 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 20' ' ' ASP . . . . . 0.495 ' O ' ' N ' ' A' ' 23' ' ' GLY . 36.7 t0 -79.8 73.86 6.52 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.186 -0.461 . . . . 7.47 110.575 -179.989 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -48.39 -20.88 0.45 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.18 -0.464 . . . . 27.75 110.69 -179.957 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 32.4 m-20 -96.63 -15.32 21.58 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.284 -0.416 . . . . 14.13 110.577 -179.984 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 23' ' ' GLY . . . . . 0.495 ' N ' ' O ' ' A' ' 20' ' ' ASP . . . 55.74 34.87 61.4 Favored Glycine 0 CA--C 1.525 0.702 0 N-CA-C 110.93 -0.868 . . . . 11.51 110.93 -179.956 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 54.0 m-20 -70.8 -18.99 62.73 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.817 0.342 . . . . 14.28 110.666 179.98 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 105.18 2.64 41.72 Favored Glycine 0 CA--C 1.524 0.646 0 N-CA-C 110.92 -0.872 . . . . 9.47 110.92 179.995 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 57.9 p -145.87 138.36 25.58 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.86 0.362 . . . . 16.41 110.552 -179.992 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 27' ' ' ILE . . . . . 0.644 ' HB ' HD12 ' A' ' 63' ' ' ILE . 88.3 mt -98.63 125.7 51.95 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.188 -0.46 . . . . 8.03 110.578 179.971 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 11.8 p -100.45 175.35 5.72 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.177 -0.465 . . . . 7.8 110.58 -179.94 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 29' ' ' THR . . . . . 0.686 HG22 HD23 ' A' ' 48' ' ' LEU . 8.3 m -78.34 -37.99 43.19 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.174 -0.466 . . . . 10.04 110.541 -179.94 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 23.3 tttp -65.24 -32.2 73.75 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.246 -0.434 . . . . 16.38 110.603 -179.917 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 4.9 mt-10 -78.48 -31.41 47.8 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.221 -0.445 . . . . 5.59 110.501 -179.95 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 32' ' ' LEU . . . . . 0.439 HD13 ' CG2' ' A' ' 27' ' ' ILE . 1.8 tp -64.15 -59.85 3.93 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.182 -0.463 . . . . 7.72 110.521 -179.993 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 33' ' ' GLY . . . . . 0.518 ' H ' HD21 ' A' ' 48' ' ' LEU . . . -44.58 -43.4 7.84 Favored Glycine 0 CA--C 1.525 0.683 0 N-CA-C 110.887 -0.885 . . . . 6.93 110.887 -179.995 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 6.7 m -52.2 -36.7 52.76 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.738 0.304 . . . . 9.63 110.478 179.986 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 35' ' ' VAL . . . . . 0.572 ' O ' ' OG ' ' A' ' 38' ' ' SER . 61.3 t -60.19 -55.81 21.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.243 -0.435 . . . . 7.07 110.574 179.977 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 36' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -59.31 -34.08 71.88 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.225 -0.443 . . . . 10.12 110.508 179.96 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 37' ' ' ARG . . . . . 0.436 ' NH2' ' HG2' ' A' ' 37' ' ' ARG . 29.5 ttt-85 -55.16 -31.24 61.2 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.208 -0.451 . . . . 9.87 110.537 179.999 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 38' ' ' SER . . . . . 0.572 ' OG ' ' O ' ' A' ' 35' ' ' VAL . 53.4 p -80.57 -18.22 49.01 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.213 -0.449 . . . . 8.15 110.505 179.912 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 39' ' ' LEU . . . . . 0.598 HD21 HD11 ' A' ' 112' ' ' LEU . 85.8 mt -90.45 12.41 18.64 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.171 -0.468 . . . . 12.78 110.515 -179.995 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 64.33 27.13 71.2 Favored Glycine 0 CA--C 1.525 0.69 0 N-CA-C 110.911 -0.875 . . . . 9.6 110.911 179.984 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 6.9 tt0 -102.96 155.58 18.26 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.84 0.352 . . . . 20.35 110.621 -179.976 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -131.17 80.09 69.35 Favored Pre-proline 0 C--N 1.328 -0.332 0 CA-C-N 116.193 -0.458 . . . . 10.22 110.487 179.976 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 59.2 Cg_endo -77.71 153.51 29.98 Favored 'Trans proline' 0 C--N 1.306 -1.659 0 C-N-CA 122.777 2.318 . . . . 8.63 112.254 -179.801 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 34.4 p -84.48 151.54 24.55 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.073 -0.512 . . . . 4.83 110.588 179.943 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 16.5 mt-10 -53.08 -31.43 41.75 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.223 -0.444 . . . . 16.78 110.578 -179.998 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -75.38 -43.31 50.89 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.173 -0.467 . . . . 4.8 110.546 -179.984 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 14.2 mm-40 -54.83 -60.86 2.78 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.193 -0.458 . . . . 6.18 110.49 -179.965 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 48' ' ' LEU . . . . . 0.686 HD23 HG22 ' A' ' 29' ' ' THR . 3.2 tp -52.37 -48.84 65.34 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.229 -0.442 . . . . 6.65 110.576 179.983 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 7.3 tt0 -54.48 -46.59 73.43 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.169 -0.468 . . . . 7.05 110.537 179.971 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 6.7 m-20 -66.49 -26.05 66.99 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.22 -0.446 . . . . 6.72 110.577 179.979 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 51' ' ' MET . . . . . 0.571 ' SD ' ' C ' ' A' ' 51' ' ' MET . 0.1 OUTLIER -70.18 -56.92 5.62 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.161 -0.472 . . . . 13.6 110.555 179.949 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 52' ' ' ILE . . . . . 0.527 HG13 HG23 ' A' ' 29' ' ' THR . 3.9 mm -49.02 -42.31 14.32 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.193 -0.458 . . . . 8.71 110.514 -179.996 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -50.98 -46.85 61.45 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.253 -0.431 . . . . 9.04 110.507 179.962 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 2.7 tt0 -51.2 -37.39 46.42 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.217 -0.447 . . . . 23.58 110.576 -179.982 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 55' ' ' VAL . . . . . 0.505 HG11 HD13 ' A' ' 63' ' ' ILE . 21.6 t -91.02 -17.49 7.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.18 -0.464 . . . . 7.6 110.589 179.99 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 56' ' ' ASP . . . . . 0.521 ' OD1' ' O ' ' A' ' 62' ' ' THR . 1.4 t70 -100.69 84.6 2.76 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.168 -0.469 . . . . 12.55 110.559 179.99 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -78.2 -28.76 48.1 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.166 -0.47 . . . . 15.13 110.603 179.99 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 58' ' ' ASP . . . . . 0.466 ' OD2' ' OE2' ' A' ' 67' ' ' GLU . 1.1 m-20 -85.34 -10.61 56.14 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.213 -0.449 . . . . 14.32 110.509 -179.978 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 59.14 35.06 82.51 Favored Glycine 0 CA--C 1.524 0.62 0 N-CA-C 110.951 -0.86 . . . . 13.64 110.951 -179.965 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 60' ' ' ASP . . . . . 0.519 ' OD2' ' OG1' ' A' ' 62' ' ' THR . 12.3 p-10 -83.69 -15.45 48.71 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.826 0.346 . . . . 13.27 110.535 -179.955 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 90.96 13.22 59.38 Favored Glycine 0 CA--C 1.525 0.678 0 N-CA-C 110.925 -0.87 . . . . 11.65 110.925 179.971 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 62' ' ' THR . . . . . 0.521 ' O ' ' OD1' ' A' ' 56' ' ' ASP . 3.2 p -152.71 165.23 35.95 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.789 0.328 . . . . 11.55 110.569 -179.954 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 63' ' ' ILE . . . . . 0.644 HD12 ' HB ' ' A' ' 27' ' ' ILE . 68.2 mt -115.75 141.41 33.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.175 -0.466 . . . . 10.06 110.539 -179.959 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 64' ' ' ASP . . . . . 0.506 ' OD1' ' OE1' ' A' ' 67' ' ' GLU . 7.3 m-20 -106.87 -174.53 2.56 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.202 -0.454 . . . . 11.33 110.635 -179.885 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 65' ' ' PHE . . . . . 0.526 ' N ' ' HD2' ' A' ' 66' ' ' PRO . 0.1 OUTLIER -74.73 -49.48 4.63 Favored Pre-proline 0 C--N 1.33 -0.254 0 CA-C-N 116.163 -0.471 . . . . 7.4 111.171 -179.912 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 66' ' ' PRO . . . . . 0.526 ' HD2' ' N ' ' A' ' 65' ' ' PHE . 46.7 Cg_endo -73.9 -16.93 22.97 Favored 'Trans proline' 0 C--N 1.309 -1.507 0 C-N-CA 122.251 1.968 . . . . 6.66 112.051 -179.79 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 67' ' ' GLU . . . . . 0.506 ' OE1' ' OD1' ' A' ' 64' ' ' ASP . 43.5 mt-10 -91.66 -24.74 19.42 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.121 -0.49 . . . . 7.44 110.363 179.782 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 68' ' ' PHE . . . . . . . . . . . . . 10.8 t80 -82.83 -28.45 30.16 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.101 -0.499 . . . . 8.58 110.713 -179.949 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 69' ' ' LEU . . . . . 0.5 HD21 ' CG ' ' A' ' 12' ' ' PHE . 0.7 OUTLIER -83.95 -36.94 22.89 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.289 -0.414 . . . . 9.43 110.354 179.537 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 70' ' ' THR . . . . . 0.456 ' O ' ' N ' ' A' ' 74' ' ' ARG . 0.1 OUTLIER -54.96 -57.86 9.96 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.061 -0.518 . . . . 7.53 110.593 -179.983 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 71' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -47.86 -37.42 13.9 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.195 -0.457 . . . . 11.86 110.446 -179.973 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 72' ' ' MET . . . . . . . . . . . . . 2.0 mmt -83.19 -34.92 25.83 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.179 -0.464 . . . . 22.32 110.645 179.994 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 73' ' ' ALA . . . . . 0.445 ' N ' ' O ' ' A' ' 69' ' ' LEU . . . -75.45 -56.45 4.69 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.244 -0.435 . . . . 9.15 110.655 -179.979 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 74' ' ' ARG . . . . . 0.513 ' CG ' ' N ' ' A' ' 75' ' ' LYS . 8.6 ptm180 -45.26 -44.0 10.9 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.218 -0.446 . . . . 13.8 110.516 -179.997 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 75' ' ' LYS . . . . . 0.513 ' N ' ' CG ' ' A' ' 74' ' ' ARG . 21.3 mttt -51.63 -45.49 63.32 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.198 -0.455 . . . . 25.18 110.54 179.998 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 76' ' ' MET . . . . . . . . . . . . . 6.2 tpt -53.94 -38.34 64.81 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.245 -0.434 . . . . 34.79 110.583 179.942 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 77' ' ' LYS . . . . . 0.563 ' O ' ' OD1' ' A' ' 78' ' ' ASP . 21.6 tttt -95.76 40.0 1.12 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.195 -0.457 . . . . 37.65 110.584 -179.972 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 78' ' ' ASP . . . . . 0.563 ' OD1' ' O ' ' A' ' 77' ' ' LYS . 1.2 m-20 -155.94 -177.36 6.51 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.222 -0.445 . . . . 42.58 110.548 -179.971 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -72.18 161.37 30.97 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.194 -0.457 . . . . 38.4 110.515 179.955 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 22.3 t70 -122.0 146.76 46.85 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.189 -0.459 . . . . 37.51 110.575 179.993 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 58.6 m -111.81 121.18 44.37 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.147 -0.479 . . . . 33.12 110.577 -179.979 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 82' ' ' GLU . . . . . 0.652 ' N ' ' OE2' ' A' ' 82' ' ' GLU . 1.0 OUTLIER -66.92 -10.32 47.54 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.231 -0.441 . . . . 34.28 110.573 -179.992 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 34.9 mt-10 -57.31 -34.18 68.46 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.226 -0.443 . . . . 30.91 110.591 -179.997 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -83.07 -45.34 14.13 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.219 -0.446 . . . . 22.86 110.598 -179.971 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 85' ' ' ILE . . . . . . . . . . . . . 86.0 mt -50.77 -33.89 12.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.189 -0.46 . . . . 19.17 110.659 -179.965 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 86' ' ' ARG . . . . . 0.47 ' HG3' ' N ' ' A' ' 87' ' ' GLU . 4.5 ptm180 -83.5 -53.36 5.75 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.223 -0.444 . . . . 26.85 110.616 -179.985 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 87' ' ' GLU . . . . . 0.917 ' O ' HG23 ' A' ' 91' ' ' VAL . 3.2 tt0 -58.29 -40.01 80.84 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.212 -0.449 . . . . 16.48 110.656 -179.94 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -71.98 -30.08 64.9 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.23 -0.441 . . . . 9.91 110.678 -179.958 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 89' ' ' PHE . . . . . 0.432 ' C ' ' CD2' ' A' ' 89' ' ' PHE . 23.5 t80 -73.63 -45.54 52.24 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.239 -0.437 . . . . 8.53 110.633 -179.969 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 8.5 ptt180 -73.34 -18.85 61.14 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.239 -0.437 . . . . 17.58 110.517 -179.948 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 91' ' ' VAL . . . . . 0.917 HG23 ' O ' ' A' ' 87' ' ' GLU . 4.6 t -65.29 -27.09 41.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.161 -0.472 . . . . 7.82 110.596 -179.971 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 92' ' ' PHE . . . . . 0.594 ' CE1' HG11 ' A' ' 108' ' ' VAL . 8.9 m-85 -95.32 -50.51 4.99 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.264 -0.425 . . . . 9.11 110.721 -179.95 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 93' ' ' ASP . . . . . 0.577 ' OD1' ' OE1' ' A' ' 104' ' ' GLU . 16.2 t0 -68.96 68.82 0.17 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.222 -0.444 . . . . 11.11 110.622 -179.923 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -48.77 -18.56 0.28 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.184 -0.462 . . . . 14.57 111.165 -179.659 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . 5.5 m-20 -77.56 -12.53 59.97 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-O 120.867 0.365 . . . . 10.2 110.647 -179.857 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 60.12 9.66 12.1 Favored Glycine 0 CA--C 1.524 0.652 0 N-CA-C 111.048 -0.821 . . . . 6.24 111.048 -179.953 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 97' ' ' ASN . . . . . 0.664 ' O ' ' CE1' ' A' ' 99' ' ' TYR . 12.0 p-10 -69.68 2.32 3.38 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.886 0.374 . . . . 7.56 110.436 179.841 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 98' ' ' GLY . . . . . 0.455 ' C ' ' CD2' ' A' ' 99' ' ' TYR . . . 64.88 10.92 48.5 Favored Glycine 0 CA--C 1.524 0.622 0 N-CA-C 111.012 -0.835 . . . . 7.08 111.012 179.982 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 99' ' ' TYR . . . . . 0.664 ' CE1' ' O ' ' A' ' 97' ' ' ASN . 2.0 m-85 -130.31 136.59 49.3 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.81 0.338 . . . . 9.0 110.572 179.94 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 28.5 mt -116.18 107.46 22.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.17 -0.468 . . . . 9.29 110.554 -179.991 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -87.94 151.69 22.62 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.261 -0.427 . . . . 7.02 110.655 -179.88 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -50.99 -24.17 3.49 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.137 -0.483 . . . . 6.41 110.677 -179.947 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -64.14 -60.02 3.73 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.193 -0.458 . . . . 5.01 110.612 -179.892 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 104' ' ' GLU . . . . . 0.577 ' OE1' ' OD1' ' A' ' 93' ' ' ASP . 4.8 pt-20 -69.77 -24.8 63.56 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.19 -0.459 . . . . 6.84 110.649 -179.938 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 105' ' ' LEU . . . . . . . . . . . . . 26.9 tp -63.74 -48.53 76.65 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.25 -0.432 . . . . 4.99 110.443 179.949 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 106' ' ' ARG . . . . . 0.573 ' O ' ' OG1' ' A' ' 110' ' ' THR . 1.3 ttm180 -71.56 -15.86 62.29 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.201 -0.454 . . . . 15.24 110.551 -179.981 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 107' ' ' HIS . . . . . . . . . . . . . 84.4 t60 -72.58 -36.64 68.21 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.184 -0.462 . . . . 15.69 110.622 -179.941 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 108' ' ' VAL . . . . . 0.594 HG11 ' CE1' ' A' ' 92' ' ' PHE . 7.1 t -76.95 -62.67 1.27 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.225 -0.443 . . . . 12.28 110.586 -179.964 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 109' ' ' MET . . . . . 0.578 ' O ' ' O ' ' A' ' 114' ' ' GLU . 2.9 mmt -52.34 -25.77 10.54 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.215 -0.448 . . . . 9.53 110.673 -179.898 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 110' ' ' THR . . . . . 0.573 ' OG1' ' O ' ' A' ' 106' ' ' ARG . 3.9 m -73.69 -51.38 16.85 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.276 -0.42 . . . . 11.87 110.903 -179.781 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 111' ' ' ASN . . . . . 0.503 ' OD1' ' N ' ' A' ' 112' ' ' LEU . 20.7 p30 -78.78 -22.66 46.02 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.396 -0.365 . . . . 21.65 110.807 -179.806 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 112' ' ' LEU . . . . . 0.598 HD11 HD21 ' A' ' 39' ' ' LEU . 4.8 tp -50.07 -15.38 0.21 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.298 -0.41 . . . . 19.55 110.558 -179.926 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 113' ' ' GLY . . . . . 0.419 ' N ' ' C ' ' A' ' 111' ' ' ASN . . . 115.17 -3.79 22.25 Favored Glycine 0 CA--C 1.524 0.639 0 N-CA-C 110.919 -0.872 . . . . 19.66 110.919 179.984 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 114' ' ' GLU . . . . . 0.578 ' O ' ' O ' ' A' ' 109' ' ' MET . 1.4 tm-20 -124.21 120.08 31.23 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.788 0.328 . . . . 25.55 110.5 179.883 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 13.1 mmtp -78.78 117.5 19.96 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.318 -0.401 . . . . 23.26 110.535 -179.892 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 116' ' ' LEU . . . . . 0.667 ' CD2' ' N ' ' A' ' 116' ' ' LEU . 1.6 mm? -85.37 154.35 21.92 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.166 -0.47 . . . . 23.07 110.545 -179.972 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 117' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -91.94 148.76 21.96 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.221 -0.445 . . . . 19.41 110.57 179.988 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 118' ' ' ASP . . . . . 0.562 ' O ' ' OD1' ' A' ' 122' ' ' ASP . 1.0 OUTLIER -50.46 -38.76 45.46 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.185 -0.462 . . . . 18.08 110.498 -179.986 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 119' ' ' GLU . . . . . 0.585 ' OE1' ' N ' ' A' ' 119' ' ' GLU . 1.7 mp0 -75.85 -44.33 41.36 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.177 -0.465 . . . . 20.16 110.535 -179.97 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 120' ' ' GLU . . . . . . . . . . . . . 4.2 mm-40 -45.49 -56.29 5.23 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.233 -0.439 . . . . 14.19 110.531 -180.0 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 121' ' ' VAL . . . . . 0.521 HG21 ' HG3' ' A' ' 106' ' ' ARG . 14.7 t -65.65 -62.08 1.4 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.21 -0.45 . . . . 14.97 110.61 -180.0 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 122' ' ' ASP . . . . . 0.562 ' OD1' ' O ' ' A' ' 118' ' ' ASP . 3.6 m-20 -45.38 -22.73 0.15 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.188 -0.46 . . . . 20.12 110.608 179.941 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 123' ' ' GLU . . . . . 0.411 ' N ' ' C ' ' A' ' 121' ' ' VAL . 17.0 tp10 -75.87 -54.86 6.25 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.195 -0.457 . . . . 15.72 110.578 179.961 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 124' ' ' MET . . . . . . . . . . . . . 6.4 tpt -55.71 -55.36 33.16 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.212 -0.449 . . . . 9.75 110.54 -179.978 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 125' ' ' ILE . . . . . 0.441 ' O ' ' N ' ' A' ' 129' ' ' ASP . 26.6 mm -44.64 -55.8 0.95 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.205 -0.452 . . . . 11.99 110.546 -179.998 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 126' ' ' ARG . . . . . . . . . . . . . 8.2 ttt-85 -43.63 -35.38 1.75 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.196 -0.457 . . . . 27.23 110.58 179.972 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 127' ' ' GLU . . . . . . . . . . . . . 2.6 tm-20 -74.33 -54.57 7.39 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.197 -0.456 . . . . 15.5 110.582 179.997 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 128' ' ' ALA . . . . . 0.448 ' O ' ' OE1' ' A' ' 140' ' ' GLU . . . -65.83 -21.1 66.45 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.207 -0.452 . . . . 10.5 110.559 179.963 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 129' ' ' ASP . . . . . 0.441 ' N ' ' O ' ' A' ' 125' ' ' ILE . 0.6 OUTLIER -60.88 111.94 1.86 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.169 -0.469 . . . . 10.86 110.528 179.992 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 130' ' ' ILE . . . . . . . . . . . . . 3.1 mt -79.64 -50.31 18.17 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.258 -0.428 . . . . 12.26 110.572 179.812 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 131' ' ' ASP . . . . . 0.439 ' OD2' ' N ' ' A' ' 131' ' ' ASP . 0.0 OUTLIER -110.64 11.07 22.85 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.146 -0.479 . . . . 7.79 110.66 179.952 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 132' ' ' GLY . . . . . . . . . . . . . . . 64.94 54.14 29.82 Favored Glycine 0 CA--C 1.525 0.674 0 N-CA-C 110.873 -0.891 . . . . 3.93 110.873 -179.94 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 133' ' ' ASP . . . . . . . . . . . . . 2.3 m-20 -100.99 -30.21 11.76 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.739 0.304 . . . . 9.56 110.631 -179.97 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 134' ' ' GLY . . . . . . . . . . . . . . . 105.08 4.96 41.32 Favored Glycine 0 CA--C 1.525 0.681 0 N-CA-C 110.996 -0.842 . . . . 7.32 110.996 -179.955 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 135' ' ' GLN . . . . . . . . . . . . . 1.5 mt-30 -129.31 155.18 46.02 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.68 0.276 . . . . 22.05 110.486 179.967 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 136' ' ' VAL . . . . . . . . . . . . . 46.0 t -111.27 135.0 51.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.336 -0.393 . . . . 10.34 110.626 -179.916 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 137' ' ' ASN . . . . . 0.65 ' H ' ' CD ' ' A' ' 140' ' ' GLU . 0.2 OUTLIER -109.81 159.55 17.11 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.058 -0.519 . . . . 12.02 110.315 179.681 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 138' ' ' TYR . . . . . 0.529 ' CD2' ' C ' ' A' ' 138' ' ' TYR . 7.7 t80 -54.19 -30.87 51.28 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.829 0.347 . . . . 8.75 110.503 179.949 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 139' ' ' GLU . . . . . 0.485 ' OE2' ' CG ' ' A' ' 143' ' ' GLN . 1.5 tm-20 -66.23 -39.85 89.84 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.172 -0.467 . . . . 22.33 110.486 179.92 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 140' ' ' GLU . . . . . 0.65 ' CD ' ' H ' ' A' ' 137' ' ' ASN . 4.7 mt-10 -61.91 -43.33 99.06 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.206 -0.452 . . . . 13.45 110.441 -179.993 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 141' ' ' PHE . . . . . . . . . . . . . 0.6 OUTLIER -50.12 -42.02 49.79 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.22 -0.445 . . . . 8.25 110.483 179.954 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 142' ' ' VAL . . . . . . . . . . . . . 70.7 t -67.67 -38.2 79.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.155 -0.475 . . . . 10.15 110.558 179.971 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 143' ' ' GLN . . . . . 0.485 ' CG ' ' OE2' ' A' ' 139' ' ' GLU . 22.3 mm100 -52.32 -52.64 51.95 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.224 -0.443 . . . . 8.24 110.525 179.947 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 144' ' ' MET . . . . . . . . . . . . . 2.5 ttp -49.43 -40.58 37.15 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.192 -0.458 . . . . 6.68 110.572 -179.997 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 145' ' ' MET . . . . . 0.561 ' CG ' ' O ' ' A' ' 145' ' ' MET . 0.8 OUTLIER . . . . . 0 C--N 1.329 -0.319 0 CA-C-N 116.183 -0.462 . . . . 13.37 110.523 179.977 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 37.1 mm-40 . . . . . 0 C--O 1.231 0.086 0 CA-C-O 120.81 0.338 . . . . 23.46 110.542 . . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 4' ' ' LEU . . . . . 0.722 HD23 HG12 ' A' ' 9' ' ' ILE . 5.2 tp -74.18 131.54 41.36 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.185 -0.462 . . . . 14.38 110.581 -179.987 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 5' ' ' THR . . . . . 0.419 HG23 ' H ' ' A' ' 5' ' ' THR . 2.3 p -74.3 147.64 42.13 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.214 -0.448 . . . . 7.34 110.545 -179.979 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 6' ' ' GLU . . . . . 0.621 ' CD ' ' H ' ' A' ' 6' ' ' GLU . 3.8 mp0 -54.69 -43.74 72.76 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.169 -0.469 . . . . 7.12 110.585 179.969 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 5.0 mt-10 -54.61 -34.76 62.55 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.196 -0.456 . . . . 6.85 110.555 -179.981 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 8' ' ' GLN . . . . . 0.463 ' OE1' ' N ' ' A' ' 8' ' ' GLN . 1.0 OUTLIER -79.09 -42.46 26.3 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.155 -0.475 . . . . 15.1 110.579 179.986 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 9' ' ' ILE . . . . . 0.722 HG12 HD23 ' A' ' 4' ' ' LEU . 92.0 mt -62.51 -35.31 69.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.214 -0.448 . . . . 4.72 110.544 -179.925 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -63.21 -59.52 4.64 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.23 -0.441 . . . . 6.68 110.573 -179.902 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 38.0 mt-10 -46.86 -30.22 2.39 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.19 -0.459 . . . . 18.49 110.63 -179.994 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 12' ' ' PHE . . . . . 0.457 ' HB3' HD21 ' A' ' 69' ' ' LEU . 4.9 m-85 -70.54 -44.59 67.18 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.233 -0.439 . . . . 14.89 110.611 -179.979 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 3.3 mtpt -46.82 -36.53 7.51 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.213 -0.449 . . . . 18.39 110.572 -179.975 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 48.6 tt0 -67.13 -38.3 85.34 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.223 -0.444 . . . . 22.76 110.527 179.994 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -55.24 -58.2 8.67 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.226 -0.443 . . . . 5.67 110.559 179.977 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 16' ' ' PHE . . . . . 0.467 ' CE2' ' HB2' ' A' ' 20' ' ' ASP . 1.8 t80 -45.29 -56.77 4.54 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.197 -0.456 . . . . 13.28 110.526 179.95 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -47.8 -21.44 0.4 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.185 -0.461 . . . . 12.16 110.554 179.923 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 11.5 tp -78.28 -37.97 43.73 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.158 -0.474 . . . . 17.89 110.569 -179.998 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 25.8 m-85 -90.07 -50.36 6.05 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.265 -0.425 . . . . 9.14 110.609 179.975 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 20' ' ' ASP . . . . . 0.467 ' HB2' ' CE2' ' A' ' 16' ' ' PHE . 7.7 t70 -83.68 79.82 9.33 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.209 -0.451 . . . . 7.47 110.571 -179.977 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 1.9 ptmm? -77.11 -19.61 56.74 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.167 -0.47 . . . . 27.75 110.648 -179.956 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 2.4 p30 -81.27 -15.3 55.92 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.24 -0.437 . . . . 14.13 110.661 -179.884 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 60.67 40.47 98.03 Favored Glycine 0 CA--C 1.525 0.699 0 N-CA-C 110.968 -0.853 . . . . 11.51 110.968 -179.993 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 24' ' ' ASP . . . . . 0.529 ' OD2' ' O ' ' A' ' 24' ' ' ASP . 1.8 t0 -86.57 -26.69 24.36 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 120.759 0.314 . . . . 14.28 110.622 -179.972 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 105.13 -3.92 41.07 Favored Glycine 0 CA--C 1.525 0.688 0 N-CA-C 110.893 -0.883 . . . . 9.47 110.893 -179.994 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 2.5 p -146.23 142.47 28.41 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.802 0.334 . . . . 16.41 110.538 179.958 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 27' ' ' ILE . . . . . 0.523 ' H ' ' HB ' ' A' ' 63' ' ' ILE . 35.4 mt -104.78 130.07 56.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.184 -0.462 . . . . 8.03 110.612 179.997 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 69.5 p -99.24 175.27 5.94 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.196 -0.456 . . . . 7.8 110.555 -179.946 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 29' ' ' THR . . . . . 0.633 ' HA ' HD11 ' A' ' 52' ' ' ILE . 9.0 m -77.21 -46.11 24.33 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.215 -0.448 . . . . 10.04 110.596 179.988 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 15.7 tptp -54.24 -30.84 51.69 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.18 -0.464 . . . . 16.38 110.555 -179.918 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 31' ' ' GLU . . . . . 0.697 ' O ' HG23 ' A' ' 35' ' ' VAL . 56.8 mt-10 -85.32 -32.67 22.36 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.225 -0.443 . . . . 5.59 110.55 179.972 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 1.1 tt -65.39 -59.84 3.6 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.188 -0.46 . . . . 7.72 110.599 -179.949 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -50.31 -52.77 26.62 Favored Glycine 0 CA--C 1.525 0.656 0 N-CA-C 110.993 -0.843 . . . . 6.93 110.993 179.992 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 22.5 m -44.51 -36.04 2.78 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.82 0.343 . . . . 9.63 110.593 179.965 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 35' ' ' VAL . . . . . 0.697 HG23 ' O ' ' A' ' 31' ' ' GLU . 58.8 t -69.4 -42.75 81.18 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.2 -0.454 . . . . 7.07 110.62 -179.965 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 36' ' ' MET . . . . . 0.492 ' O ' ' N ' ' A' ' 39' ' ' LEU . 0.0 OUTLIER -71.83 -54.05 11.37 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.2 -0.455 . . . . 10.12 110.54 179.976 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 7.3 ttp180 -47.99 -29.76 3.73 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.162 -0.472 . . . . 9.87 110.548 -179.965 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -84.62 -19.42 33.0 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.224 -0.443 . . . . 8.15 110.542 -179.987 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 39' ' ' LEU . . . . . 0.492 ' N ' ' O ' ' A' ' 36' ' ' MET . 14.2 mt -81.7 10.94 5.28 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.193 -0.458 . . . . 12.78 110.583 179.981 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 82.63 -0.16 89.56 Favored Glycine 0 CA--C 1.525 0.682 0 N-CA-C 110.94 -0.864 . . . . 9.6 110.94 179.991 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 12.4 tt0 -90.62 152.51 20.84 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.822 0.344 . . . . 20.35 110.582 -179.963 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 95.9 m-20 -126.57 80.07 70.41 Favored Pre-proline 0 C--N 1.33 -0.265 0 CA-C-N 116.156 -0.474 . . . . 10.22 110.487 179.981 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 60.6 Cg_endo -78.32 137.63 15.18 Favored 'Trans proline' 0 C--N 1.306 -1.699 0 C-N-CA 122.822 2.348 . . . . 8.63 112.2 -179.901 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -80.02 168.98 18.49 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.105 -0.498 . . . . 4.83 110.546 179.946 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 37.3 mt-10 -60.47 -36.93 79.45 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.271 -0.422 . . . . 16.78 110.514 179.983 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -67.65 -23.07 65.3 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.216 -0.447 . . . . 4.8 110.525 -179.989 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 26.9 mt-10 -74.71 -57.94 3.6 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.204 -0.453 . . . . 6.18 110.534 -179.994 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 48' ' ' LEU . . . . . 0.486 HD13 ' HA ' ' A' ' 48' ' ' LEU . 3.7 mm? -51.37 -54.2 28.82 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.185 -0.462 . . . . 6.65 110.559 -179.999 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 26.3 mt-30 -52.82 -34.92 56.14 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.194 -0.457 . . . . 7.05 110.503 179.924 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 68.9 m-20 -73.22 -31.22 64.03 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.181 -0.463 . . . . 6.72 110.501 179.992 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 51' ' ' MET . . . . . 0.611 ' O ' HG22 ' A' ' 55' ' ' VAL . 5.5 tpt -78.08 -61.21 2.07 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.202 -0.454 . . . . 13.6 110.543 -179.99 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 52' ' ' ILE . . . . . 0.633 HD11 ' HA ' ' A' ' 29' ' ' THR . 6.1 mm -49.34 -52.25 11.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.168 -0.469 . . . . 8.71 110.533 179.971 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 14.0 t30 -57.33 -41.25 79.61 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.286 -0.416 . . . . 9.04 110.548 179.972 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 3.7 mm-40 -58.37 -49.84 75.79 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.179 -0.464 . . . . 23.58 110.744 -179.835 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 55' ' ' VAL . . . . . 0.611 HG22 ' O ' ' A' ' 51' ' ' MET . 0.0 OUTLIER -80.67 -0.31 4.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.268 -0.423 . . . . 7.6 110.695 -179.891 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 36.2 t0 -107.65 110.01 21.77 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.241 -0.436 . . . . 12.55 110.52 179.983 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -82.76 -44.65 15.34 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.146 -0.479 . . . . 15.13 110.58 -179.991 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 16.2 m-20 -76.65 -10.81 59.65 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.25 -0.432 . . . . 14.32 110.576 179.984 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 53.9 21.28 16.06 Favored Glycine 0 CA--C 1.524 0.645 0 N-CA-C 110.962 -0.855 . . . . 13.64 110.962 -179.972 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 60' ' ' ASP . . . . . 0.587 ' OD2' ' N ' ' A' ' 60' ' ' ASP . 7.6 p-10 -73.55 -20.76 60.55 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-O 120.839 0.352 . . . . 13.27 110.594 179.98 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 104.97 29.64 5.13 Favored Glycine 0 CA--C 1.524 0.638 0 N-CA-C 110.914 -0.875 . . . . 11.65 110.914 179.968 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 62' ' ' THR . . . . . 0.406 ' OG1' ' OD1' ' A' ' 60' ' ' ASP . 0.1 OUTLIER -149.21 150.73 33.09 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.826 0.346 . . . . 11.55 110.559 179.992 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 63' ' ' ILE . . . . . 0.551 HD12 ' HB ' ' A' ' 55' ' ' VAL . 46.4 mm -101.47 137.28 29.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.181 -0.463 . . . . 10.06 110.532 -179.956 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 64' ' ' ASP . . . . . 0.542 ' CG ' ' OE2' ' A' ' 67' ' ' GLU . 0.8 OUTLIER -113.4 -173.3 2.24 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.275 -0.42 . . . . 11.33 110.634 -179.934 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 65' ' ' PHE . . . . . 0.516 ' N ' ' HD2' ' A' ' 66' ' ' PRO . 0.3 OUTLIER -85.17 -46.72 0.64 Allowed Pre-proline 0 C--N 1.33 -0.244 0 CA-C-N 116.278 -0.419 . . . . 7.4 111.428 -179.624 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 66' ' ' PRO . . . . . 0.516 ' HD2' ' N ' ' A' ' 65' ' ' PHE . 56.1 Cg_endo -76.46 -24.77 10.29 Favored 'Trans proline' 0 C--N 1.31 -1.473 0 C-N-CA 122.295 1.997 . . . . 6.66 112.409 -179.466 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 67' ' ' GLU . . . . . 0.542 ' OE2' ' CG ' ' A' ' 64' ' ' ASP . 9.8 pt-20 -91.59 -19.68 22.47 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.392 -0.367 . . . . 7.44 110.453 179.896 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 68' ' ' PHE . . . . . 0.468 ' CB ' ' O ' ' A' ' 64' ' ' ASP . 36.0 t80 -82.9 -30.78 28.23 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.215 -0.448 . . . . 8.58 110.528 179.882 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 69' ' ' LEU . . . . . 0.516 HD12 ' O ' ' A' ' 65' ' ' PHE . 10.8 mt -83.73 -38.85 20.86 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.165 -0.47 . . . . 9.43 110.337 179.576 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 31.8 m -57.32 -52.82 63.8 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.051 -0.522 . . . . 7.53 110.595 -179.977 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 71' ' ' MET . . . . . 0.567 ' C ' ' SD ' ' A' ' 71' ' ' MET . 0.1 OUTLIER -47.97 -49.58 30.17 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.205 -0.452 . . . . 11.86 110.551 179.963 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 72' ' ' MET . . . . . . . . . . . . . 3.0 mmt -72.38 -46.29 56.0 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.192 -0.458 . . . . 22.32 110.551 179.985 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -56.34 -53.45 57.22 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.214 -0.448 . . . . 9.15 110.601 179.989 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 53.7 ttp180 -45.28 -39.7 6.82 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.233 -0.439 . . . . 13.8 110.525 -179.979 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 75' ' ' LYS . . . . . 0.55 ' O ' ' OD1' ' A' ' 78' ' ' ASP . 0.6 OUTLIER -50.97 -45.09 60.77 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.202 -0.453 . . . . 25.18 110.542 179.947 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 76' ' ' MET . . . . . . . . . . . . . 12.7 mtt -66.58 -21.41 66.14 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.169 -0.469 . . . . 34.79 110.542 -179.965 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 19.6 tttm -107.24 38.61 2.08 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.174 -0.467 . . . . 37.65 110.595 179.996 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 78' ' ' ASP . . . . . 0.55 ' OD1' ' O ' ' A' ' 75' ' ' LYS . 2.0 p-10 -160.65 -174.85 4.65 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.197 -0.456 . . . . 42.58 110.566 -179.976 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 23.6 p -72.16 162.87 28.85 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.162 -0.472 . . . . 38.4 110.549 -179.977 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -124.78 149.36 47.45 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.241 -0.436 . . . . 37.51 110.622 179.949 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 4.9 p -117.08 132.23 56.73 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.225 -0.443 . . . . 33.12 110.595 -179.997 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -71.07 -10.31 59.54 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.231 -0.441 . . . . 34.28 110.586 179.974 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 46.4 mt-10 -60.14 -53.84 53.01 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.186 -0.461 . . . . 30.91 110.575 -179.997 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 24.1 tt0 -65.39 -46.11 81.39 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.186 -0.461 . . . . 22.86 110.601 -179.986 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 85' ' ' ILE . . . . . . . . . . . . . 52.1 mt -52.65 -24.3 6.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.206 -0.452 . . . . 19.17 110.556 179.992 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 4.1 mmm180 -79.25 -51.38 9.54 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.169 -0.469 . . . . 26.85 110.54 -179.983 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 87' ' ' GLU . . . . . 0.59 ' O ' HG23 ' A' ' 91' ' ' VAL . 67.7 mm-40 -56.47 -62.46 1.71 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.254 -0.43 . . . . 16.48 110.556 -180.0 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 88' ' ' ALA . . . . . 0.472 ' O ' ' CD2' ' A' ' 92' ' ' PHE . . . -48.12 -36.72 13.85 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.198 -0.456 . . . . 9.91 110.521 179.972 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 50.3 t80 -70.58 -57.56 4.61 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.19 -0.459 . . . . 8.53 110.488 -179.964 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 11.7 mmm180 -57.18 -18.57 16.13 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.16 -0.473 . . . . 17.58 110.587 179.925 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 91' ' ' VAL . . . . . 0.59 HG23 ' O ' ' A' ' 87' ' ' GLU . 43.1 t -77.37 -17.87 14.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.155 -0.475 . . . . 7.82 110.658 -179.9 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 92' ' ' PHE . . . . . 0.472 ' CD2' ' O ' ' A' ' 88' ' ' ALA . 46.6 m-85 -95.36 -53.87 3.61 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.343 -0.39 . . . . 9.11 110.673 -179.882 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 93' ' ' ASP . . . . . 0.573 ' OD2' ' O ' ' A' ' 99' ' ' TYR . 3.3 t0 -76.24 68.74 2.69 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.267 -0.424 . . . . 11.11 110.703 -179.815 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 24.5 mtpp -50.17 -18.39 0.57 Allowed 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.194 -0.457 . . . . 14.57 110.968 -179.712 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -82.95 -15.4 51.44 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.879 0.371 . . . . 10.2 110.588 -179.935 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 60.4 42.04 98.77 Favored Glycine 0 CA--C 1.525 0.668 0 N-CA-C 110.977 -0.849 . . . . 6.24 110.977 -179.916 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 97' ' ' ASN . . . . . 0.549 ' CG ' ' CE2' ' A' ' 99' ' ' TYR . 0.2 OUTLIER -97.39 6.35 48.38 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.98 0.419 . . . . 7.56 110.374 179.847 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . 72.17 4.65 60.27 Favored Glycine 0 CA--C 1.524 0.646 0 N-CA-C 110.96 -0.856 . . . . 7.08 110.96 -179.976 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 99' ' ' TYR . . . . . 0.573 ' O ' ' OD2' ' A' ' 93' ' ' ASP . 11.8 p90 -154.46 150.23 27.62 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.851 0.357 . . . . 9.0 110.551 179.942 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 100' ' ' ILE . . . . . 0.548 ' N ' HD13 ' A' ' 100' ' ' ILE . 0.0 OUTLIER -119.66 128.36 75.89 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.199 -0.455 . . . . 9.29 110.561 -179.996 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 101' ' ' SER . . . . . 0.567 ' O ' ' N ' ' A' ' 104' ' ' GLU . 5.2 p -89.23 151.8 21.94 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.217 -0.447 . . . . 7.02 110.655 -179.976 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 102' ' ' ALA . . . . . 0.434 ' HB2' HD12 ' A' ' 125' ' ' ILE . . . -42.85 -19.4 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.112 -0.494 . . . . 6.41 110.597 -179.935 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 103' ' ' ALA . . . . . 0.513 ' N ' ' O ' ' A' ' 101' ' ' SER . . . -83.43 -31.83 26.41 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.263 -0.426 . . . . 5.01 110.608 -179.977 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 104' ' ' GLU . . . . . 0.567 ' N ' ' O ' ' A' ' 101' ' ' SER . 32.2 mt-10 -85.31 -54.35 4.65 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.193 -0.458 . . . . 6.84 110.632 -179.957 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 105' ' ' LEU . . . . . 0.407 ' HA ' HD12 ' A' ' 105' ' ' LEU . 44.7 tp -50.16 -51.09 46.49 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.204 -0.453 . . . . 4.99 110.646 -179.945 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 106' ' ' ARG . . . . . 0.572 ' HB2' HG11 ' A' ' 121' ' ' VAL . 63.5 ttt-85 -65.94 -42.45 90.0 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.269 -0.423 . . . . 15.24 110.65 -179.965 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 107' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -51.24 -42.99 61.39 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.18 -0.464 . . . . 15.69 110.626 179.977 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 108' ' ' VAL . . . . . . . . . . . . . 39.2 t -78.12 -58.31 4.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.232 -0.44 . . . . 12.28 110.638 -179.98 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 109' ' ' MET . . . . . . . . . . . . . 14.6 mtp -58.87 -15.06 10.8 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.202 -0.454 . . . . 9.53 110.658 -179.931 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 110' ' ' THR . . . . . 0.551 ' OG1' ' O ' ' A' ' 106' ' ' ARG . 12.8 m -80.43 -44.86 18.58 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.229 -0.441 . . . . 11.87 110.636 -179.912 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 111' ' ' ASN . . . . . . . . . . . . . 44.3 t30 -72.31 -9.81 58.97 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.237 -0.438 . . . . 21.65 110.576 -179.951 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -50.43 -21.73 1.59 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.191 -0.458 . . . . 19.55 110.507 -179.975 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . 115.4 -0.82 22.18 Favored Glycine 0 CA--C 1.524 0.651 0 N-CA-C 110.839 -0.904 . . . . 19.66 110.839 -179.826 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 20.8 tt0 -124.73 132.5 53.37 Favored 'General case' 0 C--N 1.33 -0.282 0 N-CA-C 110.216 -0.29 . . . . 25.55 110.216 179.609 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 49.3 mtpt -81.64 116.66 21.48 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.805 0.336 . . . . 23.26 110.615 -179.951 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 116' ' ' LEU . . . . . . . . . . . . . 2.5 mt -105.94 132.81 51.58 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.158 -0.474 . . . . 23.07 110.508 179.96 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 117' ' ' THR . . . . . 0.537 ' OG1' ' OE2' ' A' ' 120' ' ' GLU . 35.4 p -69.26 148.7 49.43 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.172 -0.467 . . . . 19.41 110.593 -179.941 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 118' ' ' ASP . . . . . . . . . . . . . 27.2 t70 -65.74 -52.39 51.54 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.217 -0.447 . . . . 18.08 110.494 -179.964 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 119' ' ' GLU . . . . . 0.45 ' O ' ' CB ' ' A' ' 123' ' ' GLU . 23.7 tt0 -44.88 -24.33 0.2 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.229 -0.441 . . . . 20.16 110.509 179.997 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 120' ' ' GLU . . . . . 0.537 ' OE2' ' OG1' ' A' ' 117' ' ' THR . 59.4 mt-10 -85.24 -50.41 7.39 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.168 -0.469 . . . . 14.19 110.539 179.91 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 121' ' ' VAL . . . . . 0.572 HG11 ' HB2' ' A' ' 106' ' ' ARG . 58.9 t -67.38 -60.83 2.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.227 -0.442 . . . . 14.97 110.569 179.978 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 122' ' ' ASP . . . . . 0.402 ' OD2' ' C ' ' A' ' 122' ' ' ASP . 49.2 t0 -49.7 -53.78 22.63 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.233 -0.439 . . . . 20.12 110.564 179.966 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 123' ' ' GLU . . . . . 0.663 ' O ' ' N ' ' A' ' 127' ' ' GLU . 24.6 tt0 -54.69 -52.58 61.96 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.209 -0.45 . . . . 15.72 110.595 179.989 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 124' ' ' MET . . . . . 0.557 ' O ' ' N ' ' A' ' 128' ' ' ALA . 11.4 tpt -46.26 -60.45 2.31 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.194 -0.457 . . . . 9.75 110.582 179.978 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 125' ' ' ILE . . . . . 0.434 HD12 ' HB2' ' A' ' 102' ' ' ALA . 92.7 mt -50.96 -53.14 15.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.206 -0.452 . . . . 11.99 110.546 -179.976 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 126' ' ' ARG . . . . . . . . . . . . . 2.9 tpt180 -71.13 -20.08 62.36 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.228 -0.442 . . . . 27.23 110.511 179.928 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 127' ' ' GLU . . . . . 0.663 ' N ' ' O ' ' A' ' 123' ' ' GLU . 1.6 tt0 -90.13 -21.89 22.02 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.127 -0.488 . . . . 15.5 110.515 -179.986 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 128' ' ' ALA . . . . . 0.557 ' N ' ' O ' ' A' ' 124' ' ' MET . . . -100.36 -34.5 9.95 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.148 -0.478 . . . . 10.5 110.512 179.871 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 129' ' ' ASP . . . . . 0.573 ' OD1' ' OE2' ' A' ' 140' ' ' GLU . 43.4 m-20 -60.79 98.94 0.08 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.155 -0.475 . . . . 10.86 110.646 -179.986 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 130' ' ' ILE . . . . . 0.543 HD13 ' OE1' ' A' ' 143' ' ' GLN . 1.4 mp -48.25 -26.35 1.29 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.351 0 CA-C-N 116.187 -0.46 . . . . 12.26 110.755 -179.684 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 131' ' ' ASP . . . . . 0.4 ' OD1' ' N ' ' A' ' 131' ' ' ASP . 2.5 p30 -104.21 -18.43 14.49 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.845 0.355 . . . . 7.79 110.559 179.915 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 132' ' ' GLY . . . . . 0.557 ' H ' ' HB3' ' A' ' 129' ' ' ASP . . . 64.11 67.49 2.03 Favored Glycine 0 CA--C 1.525 0.696 0 N-CA-C 110.926 -0.87 . . . . 3.93 110.926 179.991 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 133' ' ' ASP . . . . . . . . . . . . . 69.3 m-20 -100.94 3.16 41.44 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.731 0.3 . . . . 9.56 110.618 -179.924 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 134' ' ' GLY . . . . . . . . . . . . . . . 79.45 2.09 87.23 Favored Glycine 0 CA--C 1.525 0.659 0 N-CA-C 110.987 -0.845 . . . . 7.32 110.987 179.998 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 135' ' ' GLN . . . . . 0.572 ' O ' ' OD2' ' A' ' 129' ' ' ASP . 0.0 OUTLIER -149.22 167.31 26.36 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.777 0.323 . . . . 22.05 110.468 -179.99 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 136' ' ' VAL . . . . . . . . . . . . . 31.4 t -109.61 134.66 50.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.244 -0.434 . . . . 10.34 110.539 -179.983 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 137' ' ' ASN . . . . . 0.489 ' OD1' ' NE2' ' A' ' 135' ' ' GLN . 92.0 m-20 -109.91 159.49 17.2 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.195 -0.457 . . . . 12.02 110.361 179.63 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 138' ' ' TYR . . . . . . . . . . . . . 82.3 t80 -54.79 -36.43 64.91 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.418 -0.355 . . . . 8.75 110.472 179.953 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 139' ' ' GLU . . . . . . . . . . . . . 29.2 tt0 -61.07 -42.0 97.68 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.205 -0.452 . . . . 22.33 110.49 179.939 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 140' ' ' GLU . . . . . 0.573 ' OE2' ' OD1' ' A' ' 129' ' ' ASP . 83.6 mt-10 -64.52 -37.58 88.02 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.212 -0.449 . . . . 13.45 110.511 179.937 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 141' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -50.03 -38.05 35.91 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.141 -0.481 . . . . 8.25 110.424 -179.985 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 142' ' ' VAL . . . . . . . . . . . . . 84.0 t -77.74 -28.38 15.67 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.172 -0.467 . . . . 10.15 110.528 179.935 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 143' ' ' GLN . . . . . 0.543 ' OE1' HD13 ' A' ' 130' ' ' ILE . 33.2 mt-30 -63.75 -60.16 3.65 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.191 -0.459 . . . . 8.24 110.554 -179.986 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 144' ' ' MET . . . . . 0.511 ' SD ' ' O ' ' A' ' 144' ' ' MET . 0.0 OUTLIER -56.23 -24.73 44.18 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.261 -0.427 . . . . 6.68 110.542 179.94 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 145' ' ' MET . . . . . . . . . . . . . 12.2 ttt . . . . . 0 C--N 1.329 -0.303 0 CA-C-N 116.144 -0.48 . . . . 13.37 110.595 179.986 . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 3.8 mt-30 . . . . . 0 C--O 1.231 0.099 0 CA-C-O 120.822 0.344 . . . . 23.46 110.601 . . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 4' ' ' LEU . . . . . 0.843 HD22 ' N ' ' A' ' 4' ' ' LEU . 1.3 mm? -91.64 128.54 37.52 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.194 -0.457 . . . . 14.38 110.565 -179.954 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 5' ' ' THR . . . . . 0.567 ' OG1' ' OE1' ' A' ' 8' ' ' GLN . 1.5 p -77.61 169.33 18.49 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.13 -0.486 . . . . 7.34 110.443 179.869 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 2.8 mt-10 -47.06 -47.31 22.7 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.307 -0.406 . . . . 7.12 110.562 -179.992 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 7' ' ' GLU . . . . . 0.619 ' N ' ' OE2' ' A' ' 7' ' ' GLU . 2.0 mp0 -57.19 -30.76 64.79 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.148 -0.478 . . . . 6.85 110.607 179.974 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 8' ' ' GLN . . . . . 0.634 ' N ' ' CD ' ' A' ' 8' ' ' GLN . 1.5 mp0 -90.75 -56.84 3.03 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.184 -0.462 . . . . 15.1 110.603 -179.982 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 9' ' ' ILE . . . . . 0.802 HD11 ' O ' ' A' ' 4' ' ' LEU . 31.1 mt -45.69 -31.12 1.06 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.236 -0.438 . . . . 4.72 110.527 179.951 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -76.09 -52.2 10.65 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.156 -0.474 . . . . 6.68 110.536 179.942 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 12.1 tt0 -43.87 -52.2 6.96 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.163 -0.471 . . . . 18.49 110.64 -179.917 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 12' ' ' PHE . . . . . 0.766 ' CD2' HD21 ' A' ' 69' ' ' LEU . 48.6 m-85 -60.33 -50.15 74.77 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.342 -0.39 . . . . 14.89 110.519 -179.921 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 39.8 mttt -46.89 -37.66 9.21 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.292 -0.413 . . . . 18.39 110.526 179.995 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 6.8 tp10 -51.18 -50.83 58.23 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.199 -0.455 . . . . 22.76 110.563 179.911 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -45.86 -58.21 3.71 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.223 -0.444 . . . . 5.67 110.602 179.917 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 16' ' ' PHE . . . . . 0.685 ' CE2' ' OD1' ' A' ' 20' ' ' ASP . 22.0 t80 -57.14 -19.99 23.43 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.149 -0.478 . . . . 13.28 110.492 179.918 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 4.8 p -85.41 -21.22 28.9 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.137 -0.483 . . . . 12.16 110.562 179.945 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 1.9 mm? -90.65 -34.27 15.5 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.163 -0.471 . . . . 17.89 110.585 179.955 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 19' ' ' PHE . . . . . 0.414 ' O ' ' N ' ' A' ' 21' ' ' LYS . 28.2 m-85 -87.4 -50.14 6.76 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.186 -0.461 . . . . 9.14 110.632 -179.912 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 20' ' ' ASP . . . . . 0.685 ' OD1' ' CE2' ' A' ' 16' ' ' PHE . 3.8 t70 -68.08 68.38 0.12 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.226 -0.443 . . . . 7.47 110.581 -179.949 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 21' ' ' LYS . . . . . 0.414 ' N ' ' O ' ' A' ' 19' ' ' PHE . 1.1 ptmm? -75.1 -19.59 59.87 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.182 -0.463 . . . . 27.75 110.665 -179.972 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 22' ' ' ASP . . . . . 0.424 ' OD1' ' OE1' ' A' ' 31' ' ' GLU . 34.2 m-20 -88.28 -15.16 36.53 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.222 -0.445 . . . . 14.13 110.613 -179.932 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 55.53 32.85 58.44 Favored Glycine 0 CA--C 1.525 0.689 0 N-CA-C 110.915 -0.874 . . . . 11.51 110.915 179.997 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 24' ' ' ASP . . . . . 0.456 ' OD2' ' N ' ' A' ' 25' ' ' GLY . 37.4 p30 -76.34 -27.16 56.37 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 120.771 0.32 . . . . 14.28 110.573 -179.961 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 25' ' ' GLY . . . . . 0.456 ' N ' ' OD2' ' A' ' 24' ' ' ASP . . . 105.1 -4.19 41.27 Favored Glycine 0 CA--C 1.524 0.629 0 N-CA-C 110.918 -0.873 . . . . 9.47 110.918 -179.957 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 26' ' ' THR . . . . . 0.408 ' O ' ' OD1' ' A' ' 24' ' ' ASP . 41.9 p -148.69 136.81 20.97 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.782 0.325 . . . . 16.41 110.595 179.969 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 27' ' ' ILE . . . . . 0.662 ' HB ' HD12 ' A' ' 63' ' ' ILE . 0.6 OUTLIER -97.7 125.74 50.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.212 -0.449 . . . . 8.03 110.515 179.98 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 7.3 p -103.08 172.74 6.64 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.254 -0.43 . . . . 7.8 110.578 -179.922 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 29' ' ' THR . . . . . 0.695 HG22 HD23 ' A' ' 48' ' ' LEU . 6.2 m -75.89 -28.94 58.29 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.168 -0.469 . . . . 10.04 110.55 -179.987 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 19.8 tttm -70.51 -29.79 66.39 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.176 -0.465 . . . . 16.38 110.628 -179.983 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 31' ' ' GLU . . . . . 0.424 ' OE1' ' OD1' ' A' ' 22' ' ' ASP . 75.0 mt-10 -85.38 -30.88 23.27 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.205 -0.452 . . . . 5.59 110.549 -179.972 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 32' ' ' LEU . . . . . 0.489 HD22 ' HA ' ' A' ' 32' ' ' LEU . 0.2 OUTLIER -64.43 -59.9 3.8 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.198 -0.455 . . . . 7.72 110.604 180.0 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -50.92 -50.55 37.88 Favored Glycine 0 CA--C 1.524 0.651 0 N-CA-C 110.91 -0.876 . . . . 6.93 110.91 179.995 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 99.0 m -44.07 -42.54 6.25 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.836 0.35 . . . . 9.63 110.556 -179.995 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 84.7 t -63.88 -44.71 98.14 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.151 -0.477 . . . . 7.07 110.542 179.972 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 36' ' ' MET . . . . . . . . . . . . . 5.2 mmt -66.09 -29.87 70.28 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.149 -0.478 . . . . 10.12 110.51 179.984 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 37' ' ' ARG . . . . . 0.437 HH11 ' HD2' ' A' ' 43' ' ' PRO . 14.6 tpp85 -63.2 -25.62 68.42 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.15 -0.477 . . . . 9.87 110.529 179.999 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 3.6 m -83.36 -19.16 36.61 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.179 -0.464 . . . . 8.15 110.504 179.948 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 21.1 mt -91.07 15.15 12.19 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.168 -0.469 . . . . 12.78 110.528 179.927 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 68.91 25.06 75.57 Favored Glycine 0 CA--C 1.525 0.665 0 N-CA-C 110.897 -0.881 . . . . 9.6 110.897 179.974 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 5.3 mm-40 -102.96 152.3 21.47 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.775 0.321 . . . . 20.35 110.581 -179.989 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 20.0 m120 -126.47 79.98 70.13 Favored Pre-proline 0 C--N 1.328 -0.336 0 CA-C-N 116.152 -0.476 . . . . 10.22 110.531 -179.997 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 43' ' ' PRO . . . . . 0.437 ' HD2' HH11 ' A' ' 37' ' ' ARG . 59.7 Cg_endo -77.93 141.45 19.0 Favored 'Trans proline' 0 C--N 1.306 -1.705 0 C-N-CA 122.715 2.277 . . . . 8.63 112.21 -179.944 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 44.3 p -96.78 151.1 19.97 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.176 -0.466 . . . . 4.83 110.59 179.997 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 45.9 tt0 -48.44 -43.33 34.31 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.206 -0.452 . . . . 16.78 110.576 179.968 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -68.27 -38.07 81.35 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.189 -0.46 . . . . 4.8 110.577 179.997 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 47' ' ' GLU . . . . . 0.53 ' C ' ' OE1' ' A' ' 47' ' ' GLU . 0.1 OUTLIER -70.69 -60.81 2.04 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.173 -0.467 . . . . 6.18 110.545 -179.982 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 48' ' ' LEU . . . . . 0.695 HD23 HG22 ' A' ' 29' ' ' THR . 14.9 tp -50.94 -20.71 1.42 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.221 -0.445 . . . . 6.65 110.601 -179.978 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 5.4 tp60 -68.33 -50.78 51.0 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.163 -0.471 . . . . 7.05 110.553 179.982 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 20.9 t0 -52.01 -31.66 30.6 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.192 -0.458 . . . . 6.72 110.571 179.967 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 51' ' ' MET . . . . . . . . . . . . . 6.1 tpt -72.31 -59.47 2.72 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.199 -0.455 . . . . 13.6 110.563 179.944 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 52' ' ' ILE . . . . . 0.614 ' O ' ' N ' ' A' ' 56' ' ' ASP . 4.7 mm -48.95 -44.33 15.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.185 -0.461 . . . . 8.71 110.552 179.995 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 6.9 m-20 -61.67 -44.3 97.21 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.245 -0.434 . . . . 9.04 110.529 179.968 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -51.2 -46.28 62.13 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.235 -0.439 . . . . 23.58 110.56 -179.931 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 55' ' ' VAL . . . . . 0.432 HG21 HD13 ' A' ' 63' ' ' ILE . 1.1 m -93.18 -21.77 5.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.225 -0.443 . . . . 7.6 110.565 179.999 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 56' ' ' ASP . . . . . 0.614 ' N ' ' O ' ' A' ' 52' ' ' ILE . 38.3 t0 -107.62 82.42 1.66 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.186 -0.461 . . . . 12.55 110.587 179.931 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -77.14 -24.87 51.57 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.179 -0.464 . . . . 15.13 110.594 -179.995 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 58' ' ' ASP . . . . . 0.54 ' OD2' ' OE1' ' A' ' 67' ' ' GLU . 0.8 OUTLIER -80.64 -11.01 59.7 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.219 -0.446 . . . . 14.32 110.609 179.988 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 44.09 20.17 0.16 Allowed Glycine 0 CA--C 1.525 0.661 0 N-CA-C 110.932 -0.867 . . . . 13.64 110.932 179.969 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 60' ' ' ASP . . . . . 0.463 ' OD2' ' N ' ' A' ' 60' ' ' ASP . 22.9 p-10 -61.3 -8.21 3.61 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.784 0.326 . . . . 13.27 110.581 179.983 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 99.71 -10.07 60.63 Favored Glycine 0 CA--C 1.524 0.629 0 N-CA-C 110.973 -0.851 . . . . 11.65 110.973 -179.988 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -127.95 169.39 14.04 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.772 0.32 . . . . 11.55 110.621 179.979 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 63' ' ' ILE . . . . . 0.662 HD12 ' HB ' ' A' ' 27' ' ' ILE . 74.6 mt -120.58 109.3 25.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.24 -0.436 . . . . 10.06 110.606 -179.97 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 64' ' ' ASP . . . . . 0.659 ' OD2' ' N ' ' A' ' 64' ' ' ASP . 0.0 OUTLIER -78.69 145.67 34.42 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.165 -0.471 . . . . 11.33 110.334 179.904 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 65' ' ' PHE . . . . . 0.625 ' N ' ' CD ' ' A' ' 66' ' ' PRO . 0.2 OUTLIER -64.77 -39.38 38.58 Favored Pre-proline 0 C--N 1.33 -0.248 0 CA-C-N 116.496 -0.32 . . . . 7.4 110.971 -179.668 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 66' ' ' PRO . . . . . 0.625 ' CD ' ' N ' ' A' ' 65' ' ' PHE . 51.3 Cg_exo -51.21 -44.58 42.02 Favored 'Trans proline' 0 C--N 1.309 -1.512 0 C-N-CA 122.276 1.984 . . . . 6.66 111.749 179.758 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 67' ' ' GLU . . . . . 0.553 ' OE2' ' OD2' ' A' ' 64' ' ' ASP . 6.0 mt-10 -81.37 -16.57 51.87 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.055 -0.521 . . . . 7.44 110.411 179.84 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 68' ' ' PHE . . . . . . . . . . . . . 20.9 t80 -71.11 -25.42 62.58 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.135 -0.484 . . . . 8.58 110.504 179.863 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 69' ' ' LEU . . . . . 0.766 HD21 ' CD2' ' A' ' 12' ' ' PHE . 0.5 OUTLIER -83.41 -40.49 19.29 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.141 -0.481 . . . . 9.43 110.488 179.708 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 70' ' ' THR . . . . . 0.436 ' CG2' ' N ' ' A' ' 71' ' ' MET . 0.7 OUTLIER -68.47 -37.05 79.8 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.241 -0.436 . . . . 7.53 110.539 -179.832 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 71' ' ' MET . . . . . 0.621 ' C ' ' SD ' ' A' ' 71' ' ' MET . 0.0 OUTLIER -60.94 -34.72 75.15 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.215 -0.448 . . . . 11.86 110.451 179.92 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 72' ' ' MET . . . . . 0.431 ' N ' ' HG3' ' A' ' 71' ' ' MET . 0.5 OUTLIER -81.83 -48.8 11.13 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.161 -0.472 . . . . 22.32 110.555 179.943 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -61.66 -55.84 26.16 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.194 -0.457 . . . . 9.15 110.52 -179.982 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 37.5 ttm180 -46.59 -40.68 13.27 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.258 -0.428 . . . . 13.8 110.565 -179.984 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 4.2 tppt? -51.2 -50.61 58.74 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.218 -0.446 . . . . 25.18 110.563 179.994 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 76' ' ' MET . . . . . . . . . . . . . 11.3 mtp -59.12 -27.56 65.72 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.174 -0.466 . . . . 34.79 110.618 -179.975 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 18.4 mmtp -94.32 39.95 1.09 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.172 -0.467 . . . . 37.65 110.615 -179.941 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 5.2 m-20 -157.41 174.98 14.59 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.184 -0.462 . . . . 42.58 110.542 -179.98 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 6.2 t -72.2 158.96 34.91 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.166 -0.47 . . . . 38.4 110.551 179.986 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 4.8 p-10 -130.56 157.46 42.64 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.236 -0.438 . . . . 37.51 110.578 -179.993 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -113.41 128.11 56.34 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.155 -0.475 . . . . 33.12 110.542 -179.972 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 16.4 pt-20 -55.69 -10.41 0.7 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.205 -0.452 . . . . 34.28 110.597 179.966 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 43.9 mm-40 -60.64 -60.42 3.83 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.197 -0.456 . . . . 30.91 110.615 179.976 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 84' ' ' GLU . . . . . 0.739 ' OE1' ' HB2' ' A' ' 88' ' ' ALA . 2.9 tm-20 -47.46 -57.45 5.33 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.202 -0.454 . . . . 22.86 110.578 -179.938 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 85' ' ' ILE . . . . . . . . . . . . . 3.7 mt -42.98 -26.46 0.19 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.232 -0.44 . . . . 19.17 110.554 -179.957 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 4.2 tpp180 -83.34 -52.07 6.87 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.241 -0.436 . . . . 26.85 110.551 179.963 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 87' ' ' GLU . . . . . 0.951 ' O ' HG23 ' A' ' 91' ' ' VAL . 1.4 tt0 -66.65 -48.18 70.22 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.181 -0.463 . . . . 16.48 110.546 179.97 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 88' ' ' ALA . . . . . 0.739 ' HB2' ' OE1' ' A' ' 84' ' ' GLU . . . -55.71 -46.18 77.74 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.156 -0.474 . . . . 9.91 110.528 -179.999 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 30.7 t80 -74.23 -51.95 13.85 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.154 -0.475 . . . . 8.53 110.563 179.975 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 71.2 ttt180 -58.35 -18.64 29.06 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.137 -0.483 . . . . 17.58 110.627 179.952 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 91' ' ' VAL . . . . . 0.951 HG23 ' O ' ' A' ' 87' ' ' GLU . 4.6 t -68.39 -32.36 55.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.189 -0.46 . . . . 7.82 110.652 -179.975 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 92' ' ' PHE . . . . . 0.682 ' CD1' HG11 ' A' ' 108' ' ' VAL . 40.0 m-85 -94.47 -21.7 18.73 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.278 -0.419 . . . . 9.11 110.692 -179.955 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 93' ' ' ASP . . . . . 0.574 ' OD1' ' OD1' ' A' ' 97' ' ' ASN . 3.0 t70 -99.12 68.57 1.68 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.292 -0.413 . . . . 11.11 110.668 -179.927 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -49.11 -18.56 0.33 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.121 -0.49 . . . . 14.57 110.928 -179.699 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . 22.0 m-20 -75.43 -12.38 60.23 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.812 0.339 . . . . 10.2 110.662 -179.85 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 60.05 9.67 11.87 Favored Glycine 0 CA--C 1.525 0.664 0 N-CA-C 111.041 -0.824 . . . . 6.24 111.041 179.95 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 97' ' ' ASN . . . . . 0.783 ' ND2' ' CE1' ' A' ' 99' ' ' TYR . 19.7 p30 -76.83 -26.86 54.81 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.847 0.355 . . . . 7.56 110.483 179.859 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 98' ' ' GLY . . . . . 0.482 ' N ' ' OD1' ' A' ' 97' ' ' ASN . . . 92.58 30.25 9.99 Favored Glycine 0 CA--C 1.525 0.686 0 N-CA-C 111.28 -0.728 . . . . 7.08 111.28 179.661 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 99' ' ' TYR . . . . . 0.783 ' CE1' ' ND2' ' A' ' 97' ' ' ASN . 0.6 OUTLIER -153.8 135.15 14.16 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.824 0.345 . . . . 9.0 110.69 179.803 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 0.8 OUTLIER -122.09 120.21 60.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.107 -0.497 . . . . 9.29 110.425 179.85 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 10.8 m -85.17 151.47 24.08 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.312 -0.403 . . . . 7.02 110.753 -179.808 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -42.91 -34.34 0.95 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.085 -0.507 . . . . 6.41 110.584 -179.978 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -62.89 -60.05 4.0 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.273 -0.421 . . . . 5.01 110.573 179.984 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 40.4 mt-10 -57.5 -45.79 84.5 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.187 -0.46 . . . . 6.84 110.561 179.969 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 105' ' ' LEU . . . . . 0.481 HD13 ' O ' ' A' ' 105' ' ' LEU . 0.2 OUTLIER -47.76 -51.22 23.1 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.173 -0.467 . . . . 4.99 110.548 179.976 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 106' ' ' ARG . . . . . 0.709 ' HG3' HG11 ' A' ' 121' ' ' VAL . 35.8 mtp85 -65.19 -23.85 67.21 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.217 -0.447 . . . . 15.24 110.554 179.971 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 107' ' ' HIS . . . . . . . . . . . . . 9.6 t-80 -69.3 -38.82 78.46 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.185 -0.461 . . . . 15.69 110.495 -179.958 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 108' ' ' VAL . . . . . 0.682 HG11 ' CD1' ' A' ' 92' ' ' PHE . 4.0 t -79.22 -50.67 17.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.159 -0.473 . . . . 12.28 110.568 -179.988 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 109' ' ' MET . . . . . . . . . . . . . 41.5 mtt -64.73 -18.65 65.22 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.205 -0.452 . . . . 9.53 110.582 -179.931 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 110' ' ' THR . . . . . 0.542 ' OG1' ' O ' ' A' ' 106' ' ' ARG . 1.7 m -74.72 -46.07 39.95 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.294 -0.412 . . . . 11.87 110.612 -179.941 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 111' ' ' ASN . . . . . . . . . . . . . 6.8 t-20 -77.05 -9.81 58.96 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.237 -0.438 . . . . 21.65 110.524 179.977 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 112' ' ' LEU . . . . . 0.45 HD22 ' HA ' ' A' ' 112' ' ' LEU . 0.2 OUTLIER -56.83 -26.08 57.44 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.178 -0.464 . . . . 19.55 110.487 179.964 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . 115.4 -2.85 22.06 Favored Glycine 0 CA--C 1.525 0.713 0 N-CA-C 110.868 -0.893 . . . . 19.66 110.868 -179.857 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 24.2 mt-10 -124.13 124.69 43.05 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.746 0.307 . . . . 25.55 110.407 179.934 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -79.1 117.48 20.18 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.303 -0.408 . . . . 23.26 110.678 -179.993 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 116' ' ' LEU . . . . . . . . . . . . . 2.5 mt -111.32 134.9 52.57 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.165 -0.47 . . . . 23.07 110.517 179.973 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 117' ' ' THR . . . . . . . . . . . . . 3.0 m -69.35 156.05 39.43 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.186 -0.461 . . . . 19.41 110.568 -179.984 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 118' ' ' ASP . . . . . 0.464 ' OD2' ' N ' ' A' ' 118' ' ' ASP . 0.4 OUTLIER -67.27 -56.7 8.74 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.203 -0.453 . . . . 18.08 110.591 179.997 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 119' ' ' GLU . . . . . 0.478 ' O ' ' CG ' ' A' ' 123' ' ' GLU . 7.3 mt-10 -52.01 -20.32 2.35 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.162 -0.472 . . . . 20.16 110.531 179.971 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 120' ' ' GLU . . . . . . . . . . . . . 4.1 tm-20 -85.22 -39.12 18.14 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.198 -0.455 . . . . 14.19 110.566 -179.989 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 121' ' ' VAL . . . . . 0.709 HG11 ' HG3' ' A' ' 106' ' ' ARG . 44.5 t -81.82 -38.18 15.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.219 -0.446 . . . . 14.97 110.568 -179.958 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 122' ' ' ASP . . . . . . . . . . . . . 19.2 t70 -68.88 -55.73 10.15 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.175 -0.466 . . . . 20.12 110.602 179.965 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 123' ' ' GLU . . . . . 0.478 ' CG ' ' O ' ' A' ' 119' ' ' GLU . 15.1 mm-40 -55.69 -31.92 62.83 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.229 -0.441 . . . . 15.72 110.595 179.998 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 124' ' ' MET . . . . . . . . . . . . . 12.7 ttt -71.45 -62.04 1.55 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.204 -0.453 . . . . 9.75 110.58 179.95 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 125' ' ' ILE . . . . . 0.581 ' CG2' ' N ' ' A' ' 126' ' ' ARG . 9.0 tt -60.32 -44.99 97.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.229 -0.442 . . . . 11.99 110.561 -179.975 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 126' ' ' ARG . . . . . 0.581 ' N ' ' CG2' ' A' ' 125' ' ' ILE . 47.6 ttp180 -58.73 -19.43 40.14 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.197 -0.456 . . . . 27.23 110.574 179.977 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 127' ' ' GLU . . . . . . . . . . . . . 3.4 tp10 -75.81 -56.67 4.45 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.159 -0.473 . . . . 15.5 110.551 -179.942 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 128' ' ' ALA . . . . . . . . . . . . . . . -78.08 -0.71 29.13 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.22 -0.446 . . . . 10.5 110.584 -179.973 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 129' ' ' ASP . . . . . 0.56 ' OD1' ' N ' ' A' ' 132' ' ' GLY . 62.2 t0 -73.12 92.73 1.73 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.208 -0.451 . . . . 10.86 110.595 179.935 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 130' ' ' ILE . . . . . 0.443 ' H ' HG13 ' A' ' 130' ' ' ILE . 52.0 mt -49.69 -47.22 21.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.208 -0.451 . . . . 12.26 110.604 179.996 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 131' ' ' ASP . . . . . 0.643 ' N ' ' OD1' ' A' ' 131' ' ' ASP . 0.0 OUTLIER -77.86 -17.76 57.0 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.226 -0.443 . . . . 7.79 110.586 179.975 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 132' ' ' GLY . . . . . 0.56 ' N ' ' OD1' ' A' ' 129' ' ' ASP . . . 53.44 44.33 66.63 Favored Glycine 0 CA--C 1.525 0.665 0 N-CA-C 110.923 -0.871 . . . . 3.93 110.923 -179.998 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 133' ' ' ASP . . . . . 0.485 ' N ' ' OD2' ' A' ' 129' ' ' ASP . 9.2 m-20 -100.93 -2.06 32.89 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.794 0.331 . . . . 9.56 110.557 179.98 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 134' ' ' GLY . . . . . . . . . . . . . . . 98.19 5.87 57.01 Favored Glycine 0 CA--C 1.524 0.645 0 N-CA-C 110.978 -0.849 . . . . 7.32 110.978 -179.956 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 135' ' ' GLN . . . . . . . . . . . . . 3.7 pt20 -145.48 164.4 31.72 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.803 0.335 . . . . 22.05 110.565 179.981 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 136' ' ' VAL . . . . . 0.485 HG23 HG12 ' A' ' 125' ' ' ILE . 55.1 t -122.4 100.78 8.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.226 -0.443 . . . . 10.34 110.608 -179.993 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 137' ' ' ASN . . . . . . . . . . . . . 71.9 m-20 -68.7 159.9 31.3 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.186 -0.461 . . . . 12.02 110.485 -179.979 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 138' ' ' TYR . . . . . 0.568 ' CD2' ' C ' ' A' ' 138' ' ' TYR . 6.4 t80 -52.11 -39.87 60.45 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.172 -0.467 . . . . 8.75 110.583 179.999 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 139' ' ' GLU . . . . . . . . . . . . . 18.2 mm-40 -53.81 -43.91 69.74 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.192 -0.458 . . . . 22.33 110.542 179.953 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 140' ' ' GLU . . . . . . . . . . . . . 1.3 mt-10 -62.79 -33.55 75.43 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.222 -0.445 . . . . 13.45 110.483 179.965 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 141' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER -52.9 -42.52 65.41 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.139 -0.482 . . . . 8.25 110.498 179.976 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 142' ' ' VAL . . . . . . . . . . . . . 79.3 t -60.68 -35.36 63.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.174 -0.466 . . . . 10.15 110.522 -179.977 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 143' ' ' GLN . . . . . 0.416 ' HG2' HD11 ' A' ' 130' ' ' ILE . 46.3 tp60 -52.23 -54.94 24.8 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.213 -0.449 . . . . 8.24 110.518 -179.976 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 144' ' ' MET . . . . . . . . . . . . . 0.3 OUTLIER -49.85 -34.7 20.75 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.242 -0.435 . . . . 6.68 110.502 -179.982 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 145' ' ' MET . . . . . . . . . . . . . 1.5 ttt . . . . . 0 C--N 1.329 -0.291 0 CA-C-N 116.196 -0.457 . . . . 13.37 110.527 -179.994 . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 21.0 mt-30 . . . . . 0 C--O 1.231 0.111 0 CA-C-O 120.795 0.331 . . . . 23.46 110.606 . . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -79.3 159.54 27.18 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.229 -0.441 . . . . 14.38 110.55 179.979 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 5' ' ' THR . . . . . 0.522 ' OG1' ' NE2' ' A' ' 8' ' ' GLN . 14.1 p -107.01 157.54 17.73 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.202 -0.454 . . . . 7.34 110.56 -179.994 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 30.0 mt-10 -49.97 -49.98 48.49 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.203 -0.453 . . . . 7.12 110.606 179.979 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 7' ' ' GLU . . . . . 0.534 ' C ' ' OE1' ' A' ' 8' ' ' GLN . 9.3 mm-40 -52.59 -28.9 23.05 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.173 -0.467 . . . . 6.85 110.586 179.946 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 8' ' ' GLN . . . . . 0.579 ' OE1' ' N ' ' A' ' 8' ' ' GLN . 0.9 OUTLIER -90.66 -52.82 4.69 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.192 -0.458 . . . . 15.1 110.598 179.977 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 71.0 mt -52.21 -30.17 13.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.185 -0.461 . . . . 4.72 110.56 -179.998 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -72.45 -56.02 6.08 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.189 -0.459 . . . . 6.68 110.541 179.982 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 21.4 mm-40 -43.92 -46.49 8.14 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.21 -0.45 . . . . 18.49 110.626 -179.891 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 12' ' ' PHE . . . . . 0.814 ' CD2' HD21 ' A' ' 69' ' ' LEU . 58.8 m-85 -62.35 -49.45 75.53 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.378 -0.374 . . . . 14.89 110.54 -179.991 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 30.6 mtpt -46.81 -38.62 10.47 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.229 -0.441 . . . . 18.39 110.47 179.957 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 13.2 tt0 -52.89 -39.5 62.75 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.149 -0.478 . . . . 22.76 110.488 179.934 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -57.77 -58.34 8.8 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.19 -0.459 . . . . 5.67 110.542 179.904 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 16' ' ' PHE . . . . . 0.446 ' CZ ' HD12 ' A' ' 27' ' ' ILE . 0.8 OUTLIER -55.22 -20.02 9.62 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.212 -0.449 . . . . 13.28 110.516 179.937 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 3.1 t -85.53 -21.14 28.74 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.098 -0.501 . . . . 12.16 110.45 179.869 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 2.0 mm? -90.65 -36.75 14.2 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.109 -0.496 . . . . 17.89 110.55 -179.993 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 19' ' ' PHE . . . . . 0.596 ' CE1' HG11 ' A' ' 35' ' ' VAL . 48.0 m-85 -83.83 -50.25 8.28 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.226 -0.443 . . . . 9.14 110.669 -179.939 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 23.3 t0 -68.23 68.04 0.12 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.273 -0.421 . . . . 7.47 110.582 -179.986 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 1.5 tptp -66.46 -19.61 65.84 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.156 -0.474 . . . . 27.75 110.657 -179.935 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 22' ' ' ASP . . . . . 0.568 ' OD1' ' OE1' ' A' ' 31' ' ' GLU . 6.6 m-20 -88.96 -15.24 34.73 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.302 -0.408 . . . . 14.13 110.61 -179.919 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 58.58 33.03 70.34 Favored Glycine 0 CA--C 1.525 0.693 0 N-CA-C 110.913 -0.875 . . . . 11.51 110.913 -179.995 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 22.9 p-10 -83.34 -30.16 27.7 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.808 0.337 . . . . 14.28 110.664 179.976 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 105.13 6.8 39.03 Favored Glycine 0 CA--C 1.525 0.691 0 N-CA-C 110.932 -0.867 . . . . 9.47 110.932 -179.996 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 1.8 p -148.68 136.85 21.0 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.797 0.332 . . . . 16.41 110.563 179.936 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 27' ' ' ILE . . . . . 0.451 ' H ' ' HB ' ' A' ' 63' ' ' ILE . 5.0 mt -109.91 130.21 63.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.218 -0.446 . . . . 8.03 110.516 179.984 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 12.6 p -109.4 175.3 5.5 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.13 -0.487 . . . . 7.8 110.576 -179.991 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -70.17 -19.92 63.17 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.221 -0.445 . . . . 10.04 110.611 -179.994 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 2.4 ttmm -76.12 -38.65 56.58 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.196 -0.456 . . . . 16.38 110.609 -179.973 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 31' ' ' GLU . . . . . 0.568 ' OE1' ' OD1' ' A' ' 22' ' ' ASP . 16.4 mt-10 -79.93 -31.62 40.08 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.238 -0.437 . . . . 5.59 110.479 -179.99 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 3.8 tp -64.31 -58.92 5.12 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.15 -0.477 . . . . 7.72 110.548 -179.968 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -44.08 -46.54 8.01 Favored Glycine 0 CA--C 1.524 0.612 0 N-CA-C 110.896 -0.882 . . . . 6.93 110.896 179.941 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 4.9 m -50.14 -40.7 47.11 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.801 0.334 . . . . 9.63 110.51 179.967 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 35' ' ' VAL . . . . . 0.596 HG11 ' CE1' ' A' ' 19' ' ' PHE . 94.7 t -60.36 -51.31 74.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.192 -0.458 . . . . 7.07 110.523 179.959 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 36' ' ' MET . . . . . . . . . . . . . 6.3 mmt -58.02 -26.09 61.99 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.204 -0.453 . . . . 10.12 110.494 179.985 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 8.2 mtt180 -69.5 -22.58 63.6 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.172 -0.467 . . . . 9.87 110.522 -179.99 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 1.1 t -79.98 -27.63 39.65 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.157 -0.474 . . . . 8.15 110.486 179.989 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 13.1 mt -92.54 15.09 14.97 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.184 -0.462 . . . . 12.78 110.56 179.978 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 62.09 26.23 67.25 Favored Glycine 0 CA--C 1.524 0.64 0 N-CA-C 110.929 -0.869 . . . . 9.6 110.929 -179.969 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 7.7 mt-30 -95.06 151.26 19.34 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.796 0.331 . . . . 20.35 110.631 179.981 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 10.4 m120 -134.56 80.0 52.14 Favored Pre-proline 0 C--N 1.328 -0.326 0 CA-C-N 116.173 -0.467 . . . . 10.22 110.529 179.988 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 60.3 Cg_endo -78.1 152.08 27.53 Favored 'Trans proline' 0 C--N 1.305 -1.713 0 C-N-CA 122.771 2.314 . . . . 8.63 112.24 -179.954 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -87.94 164.29 15.91 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.178 -0.465 . . . . 4.83 110.598 179.98 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 14.2 mt-10 -53.75 -51.58 62.91 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.229 -0.441 . . . . 16.78 110.598 179.945 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -52.66 -36.36 56.74 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.148 -0.478 . . . . 4.8 110.519 -179.989 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 2.5 tp10 -74.29 -56.02 5.36 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.233 -0.439 . . . . 6.18 110.522 -179.959 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 48' ' ' LEU . . . . . 0.504 ' HA ' HD23 ' A' ' 48' ' ' LEU . 19.9 mt -50.11 -37.22 33.07 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.17 -0.468 . . . . 6.65 110.553 -179.969 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 55.6 mt-30 -76.36 -50.79 13.31 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.214 -0.448 . . . . 7.05 110.519 -179.996 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 26.4 t0 -53.34 -29.63 35.11 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.227 -0.442 . . . . 6.72 110.538 179.97 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 51' ' ' MET . . . . . . . . . . . . . 7.2 mmt -73.33 -55.73 6.01 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.178 -0.464 . . . . 13.6 110.539 -179.995 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 52' ' ' ILE . . . . . 0.838 ' CD1' HD11 ' A' ' 63' ' ' ILE . 4.5 mm -49.63 -45.24 20.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.173 -0.467 . . . . 8.71 110.497 179.968 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 55.1 t-20 -50.61 -51.41 48.92 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.23 -0.441 . . . . 9.04 110.544 179.998 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 39.3 mt-10 -51.21 -30.11 16.17 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.176 -0.466 . . . . 23.58 110.587 179.998 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 55' ' ' VAL . . . . . 0.415 HG12 HG23 ' A' ' 63' ' ' ILE . 2.4 t -95.0 -26.64 4.32 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.179 -0.464 . . . . 7.6 110.557 -179.994 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 56' ' ' ASP . . . . . 0.597 ' OD1' ' N ' ' A' ' 59' ' ' GLY . 7.5 t0 -107.58 80.41 1.39 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.209 -0.45 . . . . 12.55 110.554 -179.995 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -69.26 -19.15 63.93 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.159 -0.473 . . . . 15.13 110.547 179.962 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -103.81 -4.66 23.3 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.228 -0.442 . . . . 14.32 110.582 -179.975 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 59' ' ' GLY . . . . . 0.597 ' N ' ' OD1' ' A' ' 56' ' ' ASP . . . 44.95 31.07 2.66 Favored Glycine 0 CA--C 1.524 0.63 0 N-CA-C 110.987 -0.845 . . . . 13.64 110.987 -179.98 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -59.26 -10.7 3.16 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.78 0.324 . . . . 13.27 110.562 -179.968 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 105.74 -10.07 44.84 Favored Glycine 0 CA--C 1.525 0.716 0 N-CA-C 110.889 -0.884 . . . . 11.65 110.889 179.952 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 62' ' ' THR . . . . . 0.52 ' O ' ' OD2' ' A' ' 56' ' ' ASP . 0.0 OUTLIER -136.19 173.79 11.32 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.824 0.345 . . . . 11.55 110.524 -179.993 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 63' ' ' ILE . . . . . 0.838 HD11 ' CD1' ' A' ' 52' ' ' ILE . 55.7 mt -111.53 113.81 45.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.202 -0.454 . . . . 10.06 110.684 -179.946 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 64' ' ' ASP . . . . . 0.675 ' OD1' ' N ' ' A' ' 64' ' ' ASP . 0.0 OUTLIER -78.7 145.7 34.38 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.188 -0.46 . . . . 11.33 110.358 179.881 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 65' ' ' PHE . . . . . 0.659 ' N ' ' CD ' ' A' ' 66' ' ' PRO . 0.3 OUTLIER -70.9 -36.87 5.56 Favored Pre-proline 0 C--N 1.331 -0.223 0 CA-C-N 116.472 -0.331 . . . . 7.4 111.078 -179.71 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 66' ' ' PRO . . . . . 0.659 ' CD ' ' N ' ' A' ' 65' ' ' PHE . 37.0 Cg_exo -53.56 -48.68 20.57 Favored 'Trans proline' 0 C--N 1.309 -1.533 0 C-N-CA 122.32 2.013 . . . . 6.66 111.818 179.83 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 67' ' ' GLU . . . . . 0.572 ' OE2' ' OD2' ' A' ' 64' ' ' ASP . 14.5 mt-10 -74.54 -32.31 62.42 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.155 -0.475 . . . . 7.44 110.332 179.819 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 68' ' ' PHE . . . . . . . . . . . . . 35.6 t80 -50.39 -27.96 7.27 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.149 -0.478 . . . . 8.58 110.497 179.912 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 69' ' ' LEU . . . . . 0.814 HD21 ' CD2' ' A' ' 12' ' ' PHE . 0.4 OUTLIER -83.47 -38.01 22.39 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.141 -0.481 . . . . 9.43 110.233 179.534 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 70' ' ' THR . . . . . 0.569 ' O ' ' CB ' ' A' ' 74' ' ' ARG . 0.3 OUTLIER -71.63 -35.91 70.58 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.024 -0.535 . . . . 7.53 110.472 179.999 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 71' ' ' MET . . . . . . . . . . . . . 8.4 tpt -55.98 -43.12 77.29 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.203 -0.453 . . . . 11.86 110.549 179.967 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 72' ' ' MET . . . . . 0.434 ' H ' ' HG2' ' A' ' 72' ' ' MET . 3.3 ptm -89.18 -38.85 13.97 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.19 -0.459 . . . . 22.32 110.571 179.979 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -69.52 -32.22 70.92 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.234 -0.439 . . . . 9.15 110.59 179.98 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 74' ' ' ARG . . . . . 0.569 ' CB ' ' O ' ' A' ' 70' ' ' THR . 64.6 ttt180 -75.09 -42.59 56.31 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.233 -0.44 . . . . 13.8 110.573 -179.939 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 75' ' ' LYS . . . . . 0.477 ' O ' ' OD1' ' A' ' 78' ' ' ASP . 2.3 tmtm? -50.75 -32.53 19.99 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.196 -0.456 . . . . 25.18 110.582 179.967 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 76' ' ' MET . . . . . . . . . . . . . 12.5 mtp -77.91 0.49 23.93 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.168 -0.469 . . . . 34.79 110.594 -179.987 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 7.0 mtpm? -113.51 32.85 5.51 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.183 -0.462 . . . . 37.65 110.556 179.998 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 78' ' ' ASP . . . . . 0.477 ' OD1' ' O ' ' A' ' 75' ' ' LYS . 25.3 p-10 -161.94 -175.53 4.71 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.215 -0.448 . . . . 42.58 110.549 179.985 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 12.6 t -77.45 156.75 30.89 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.201 -0.454 . . . . 38.4 110.527 179.992 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 6.8 p-10 -130.31 163.01 27.74 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.159 -0.473 . . . . 37.51 110.6 -179.99 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 72.5 p -117.12 134.81 54.31 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.219 -0.446 . . . . 33.12 110.551 179.994 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 17.6 mm-40 -57.33 -10.38 1.33 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.186 -0.461 . . . . 34.28 110.632 179.948 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -53.0 -60.43 3.29 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.166 -0.47 . . . . 30.91 110.575 179.993 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 5.6 tt0 -62.56 -55.6 25.73 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.184 -0.462 . . . . 22.86 110.572 179.981 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 85' ' ' ILE . . . . . 0.476 ' CD1' ' SD ' ' A' ' 145' ' ' MET . 16.3 mt -45.43 -27.76 0.62 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.206 -0.452 . . . . 19.17 110.578 179.996 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 46.6 mtt180 -83.39 -52.71 6.29 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.176 -0.466 . . . . 26.85 110.535 -179.953 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 87' ' ' GLU . . . . . 0.904 ' O ' HG23 ' A' ' 91' ' ' VAL . 0.6 OUTLIER -53.41 -40.51 65.18 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.224 -0.444 . . . . 16.48 110.547 -179.974 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -78.82 -42.88 26.57 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.24 -0.436 . . . . 9.91 110.602 -179.994 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 89' ' ' PHE . . . . . 0.45 ' CZ ' ' HB2' ' A' ' 138' ' ' TYR . 50.4 t80 -55.84 -36.16 67.2 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.16 -0.473 . . . . 8.53 110.604 -179.984 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 90' ' ' ARG . . . . . 0.404 ' C ' ' N ' ' A' ' 92' ' ' PHE . 19.3 mtp180 -81.26 -43.68 18.84 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.206 -0.452 . . . . 17.58 110.51 -179.991 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 91' ' ' VAL . . . . . 0.904 HG23 ' O ' ' A' ' 87' ' ' GLU . 44.4 t -50.08 -16.63 0.39 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.168 -0.469 . . . . 7.82 110.64 -179.891 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 92' ' ' PHE . . . . . 0.49 ' CE1' HG11 ' A' ' 108' ' ' VAL . 14.3 m-85 -94.31 -40.3 10.03 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.189 -0.459 . . . . 9.11 110.528 179.952 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 93' ' ' ASP . . . . . 0.544 ' CG ' ' O ' ' A' ' 93' ' ' ASP . 2.0 t70 -98.98 71.37 1.86 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.162 -0.472 . . . . 11.11 110.583 -179.993 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 17.6 mtmm -47.93 -19.25 0.23 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.209 -0.45 . . . . 14.57 111.124 -179.629 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . 17.1 t0 -75.18 -12.0 60.2 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 120.842 0.353 . . . . 10.2 110.64 -179.765 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 60.3 9.7 12.98 Favored Glycine 0 CA--C 1.525 0.708 0 N-CA-C 111.009 -0.836 . . . . 6.24 111.009 -179.972 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 97' ' ' ASN . . . . . 0.539 ' O ' ' CD2' ' A' ' 99' ' ' TYR . 50.7 p-10 -78.02 -7.25 56.64 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.847 0.356 . . . . 7.56 110.371 179.815 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . 73.55 30.16 62.61 Favored Glycine 0 CA--C 1.525 0.678 0 N-CA-C 111.072 -0.811 . . . . 7.08 111.072 179.886 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 99' ' ' TYR . . . . . 0.539 ' CD2' ' O ' ' A' ' 97' ' ' ASN . 82.2 m-85 -140.72 135.07 31.21 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.848 0.356 . . . . 9.0 110.689 179.946 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 8.5 mt -122.06 108.35 21.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.158 -0.473 . . . . 9.29 110.468 179.911 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 5.4 t -86.21 151.59 23.51 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.245 -0.434 . . . . 7.02 110.69 -179.887 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -46.16 -28.27 1.19 Allowed 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.017 -0.538 . . . . 6.41 110.628 -179.998 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -67.79 -39.14 84.08 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.198 -0.455 . . . . 5.01 110.605 179.974 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 2.8 mt-10 -75.32 -49.81 17.97 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.168 -0.469 . . . . 6.84 110.585 179.977 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 105' ' ' LEU . . . . . 0.624 HD13 ' O ' ' A' ' 105' ' ' LEU . 0.2 OUTLIER -47.73 -49.86 26.99 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.232 -0.44 . . . . 4.99 110.579 -179.982 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 106' ' ' ARG . . . . . 0.497 ' O ' ' N ' ' A' ' 110' ' ' THR . 5.3 tmm_? -66.49 -37.81 85.9 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.191 -0.458 . . . . 15.24 110.589 179.972 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 107' ' ' HIS . . . . . . . . . . . . . 10.5 t-160 -58.81 -54.6 45.31 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.165 -0.47 . . . . 15.69 110.518 -179.951 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 108' ' ' VAL . . . . . 0.49 HG11 ' CE1' ' A' ' 92' ' ' PHE . 24.3 t -61.53 -41.72 91.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.218 -0.446 . . . . 12.28 110.603 -179.979 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 109' ' ' MET . . . . . . . . . . . . . 4.9 mtt -76.47 -18.46 58.76 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.18 -0.464 . . . . 9.53 110.61 -179.99 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 110' ' ' THR . . . . . 0.497 ' N ' ' O ' ' A' ' 106' ' ' ARG . 13.7 m -70.2 -51.69 29.02 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.212 -0.449 . . . . 11.87 110.631 -179.984 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 111' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER -67.95 -18.76 64.85 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.233 -0.44 . . . . 21.65 110.621 -179.987 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 112' ' ' LEU . . . . . 0.415 ' HA ' HD13 ' A' ' 112' ' ' LEU . 0.1 OUTLIER -50.08 -31.38 13.08 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.116 -0.493 . . . . 19.55 110.483 -179.996 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . 115.09 4.34 20.82 Favored Glycine 0 CA--C 1.525 0.693 0 N-CA-C 110.901 -0.88 . . . . 19.66 110.901 -179.949 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -124.29 126.23 45.7 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.754 0.311 . . . . 25.55 110.445 179.925 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 23.6 mttt -87.25 111.95 21.53 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.31 -0.405 . . . . 23.26 110.556 -179.975 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 116' ' ' LEU . . . . . . . . . . . . . 4.8 mt -105.51 143.06 34.19 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.184 -0.462 . . . . 23.07 110.592 179.993 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 117' ' ' THR . . . . . 0.452 ' O ' HG23 ' A' ' 121' ' ' VAL . 0.8 OUTLIER -69.28 151.62 46.03 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.234 -0.439 . . . . 19.41 110.556 -179.97 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 118' ' ' ASP . . . . . . . . . . . . . 4.3 m-20 -74.11 -28.65 61.45 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.179 -0.464 . . . . 18.08 110.527 -179.989 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 119' ' ' GLU . . . . . . . . . . . . . 5.1 mt-10 -71.77 -28.32 63.55 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.213 -0.449 . . . . 20.16 110.531 -179.978 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 120' ' ' GLU . . . . . . . . . . . . . 7.7 tt0 -83.73 -32.72 25.34 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.227 -0.442 . . . . 14.19 110.577 179.983 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 121' ' ' VAL . . . . . 0.452 HG23 ' O ' ' A' ' 117' ' ' THR . 68.9 t -73.82 -49.93 32.03 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.139 -0.482 . . . . 14.97 110.568 -179.98 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 122' ' ' ASP . . . . . 0.632 ' OD2' ' N ' ' A' ' 123' ' ' GLU . 3.4 p-10 -67.34 -43.26 82.01 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.197 -0.456 . . . . 20.12 110.539 -179.982 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 123' ' ' GLU . . . . . 0.632 ' N ' ' OD2' ' A' ' 122' ' ' ASP . 3.9 tm-20 -46.68 -46.46 20.08 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.219 -0.446 . . . . 15.72 110.555 -179.993 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 124' ' ' MET . . . . . . . . . . . . . 2.1 tpt -72.87 -48.81 34.3 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.168 -0.469 . . . . 9.75 110.555 179.991 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 125' ' ' ILE . . . . . 0.516 ' O ' ' OD2' ' A' ' 129' ' ' ASP . 52.8 mt -62.37 -59.92 3.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.211 -0.449 . . . . 11.99 110.582 -179.996 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 126' ' ' ARG . . . . . 0.505 ' N ' ' O ' ' A' ' 122' ' ' ASP . 3.5 tpt180 -45.06 -31.95 1.54 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.195 -0.457 . . . . 27.23 110.588 179.973 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 127' ' ' GLU . . . . . . . . . . . . . 22.4 mt-10 -84.52 -53.3 5.51 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.167 -0.47 . . . . 15.5 110.586 179.966 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 128' ' ' ALA . . . . . . . . . . . . . . . -62.59 -8.42 6.42 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.223 -0.444 . . . . 10.5 110.52 -179.996 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 129' ' ' ASP . . . . . 0.573 ' OD1' ' O ' ' A' ' 135' ' ' GLN . 1.7 m-20 -91.03 93.89 9.38 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.2 -0.455 . . . . 10.86 110.594 179.999 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 130' ' ' ILE . . . . . . . . . . . . . 44.5 mt -48.94 -40.96 12.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.234 -0.439 . . . . 12.26 110.524 -179.935 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 131' ' ' ASP . . . . . . . . . . . . . 2.3 m-20 -87.4 -17.7 31.7 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.226 -0.443 . . . . 7.79 110.557 -179.988 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 132' ' ' GLY . . . . . . . . . . . . . . . 56.61 53.34 44.36 Favored Glycine 0 CA--C 1.525 0.671 0 N-CA-C 110.986 -0.846 . . . . 3.93 110.986 179.975 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 133' ' ' ASP . . . . . 0.532 ' OD1' ' N ' ' A' ' 133' ' ' ASP . 0.7 OUTLIER -100.91 2.87 41.28 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.802 0.334 . . . . 9.56 110.603 179.959 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 134' ' ' GLY . . . . . . . . . . . . . . . 88.29 7.67 72.6 Favored Glycine 0 CA--C 1.524 0.634 0 N-CA-C 110.915 -0.874 . . . . 7.32 110.915 -179.969 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 135' ' ' GLN . . . . . 0.573 ' O ' ' OD1' ' A' ' 129' ' ' ASP . 1.0 OUTLIER -145.72 164.43 31.83 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.801 0.334 . . . . 22.05 110.544 -179.965 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 136' ' ' VAL . . . . . . . . . . . . . 1.5 t -120.97 100.66 9.31 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.249 -0.432 . . . . 10.34 110.671 -179.998 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 137' ' ' ASN . . . . . . . . . . . . . 52.6 p-10 -68.96 165.42 20.11 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.131 -0.486 . . . . 12.02 110.631 -179.984 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 138' ' ' TYR . . . . . 0.45 ' HB2' ' CZ ' ' A' ' 89' ' ' PHE . 34.9 t80 -54.21 -34.42 60.57 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.218 -0.446 . . . . 8.75 110.571 179.974 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 139' ' ' GLU . . . . . . . . . . . . . 4.4 tt0 -61.77 -39.46 91.71 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.153 -0.476 . . . . 22.33 110.549 -179.968 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 140' ' ' GLU . . . . . 0.539 ' O ' ' CB ' ' A' ' 143' ' ' GLN . 6.4 mt-10 -65.15 -39.36 92.88 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.199 -0.455 . . . . 13.45 110.591 179.971 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 141' ' ' PHE . . . . . 0.413 ' C ' ' N ' ' A' ' 143' ' ' GLN . 1.4 m-85 -50.27 -60.28 3.13 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.182 -0.463 . . . . 8.25 110.489 179.973 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 142' ' ' VAL . . . . . . . . . . . . . 60.4 t -46.22 -21.64 0.29 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.199 -0.455 . . . . 10.15 110.497 179.932 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 143' ' ' GLN . . . . . 0.539 ' CB ' ' O ' ' A' ' 140' ' ' GLU . 6.6 tt0 -62.47 -57.16 12.22 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.149 -0.478 . . . . 8.24 110.529 179.91 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 144' ' ' MET . . . . . . . . . . . . . 17.4 ttm -52.32 -18.36 1.55 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.168 -0.469 . . . . 6.68 110.499 179.873 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 145' ' ' MET . . . . . 0.476 ' SD ' ' CD1' ' A' ' 85' ' ' ILE . 5.3 mtp . . . . . 0 C--N 1.33 -0.266 0 CA-C-N 116.155 -0.475 . . . . 13.37 110.637 179.999 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 8.2 tp60 . . . . . 0 C--O 1.231 0.103 0 CA-C-O 120.79 0.329 . . . . 23.46 110.588 . . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 4' ' ' LEU . . . . . 0.608 ' O ' HD11 ' A' ' 9' ' ' ILE . 2.2 tp -82.74 126.97 32.98 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.174 -0.466 . . . . 14.38 110.535 -179.987 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 5' ' ' THR . . . . . 0.417 HG22 ' H ' ' A' ' 5' ' ' THR . 0.5 OUTLIER -67.56 148.92 50.8 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.154 -0.475 . . . . 7.34 110.591 179.978 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 6' ' ' GLU . . . . . 0.528 ' HA ' HD12 ' A' ' 9' ' ' ILE . 5.7 pt-20 -53.93 -41.74 68.03 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.205 -0.452 . . . . 7.12 110.556 -179.958 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 32.3 mt-10 -52.63 -37.69 58.92 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.233 -0.44 . . . . 6.85 110.596 179.966 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 66.3 mt-30 -80.46 -46.15 16.4 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.228 -0.442 . . . . 15.1 110.533 -179.986 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 9' ' ' ILE . . . . . 0.608 HD11 ' O ' ' A' ' 4' ' ' LEU . 28.2 mt -57.22 -24.21 20.57 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.198 -0.455 . . . . 4.72 110.55 -179.987 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -78.71 -59.26 2.85 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.233 -0.44 . . . . 6.68 110.63 179.99 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 53.1 mt-10 -48.21 -35.89 12.72 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.188 -0.46 . . . . 18.49 110.595 179.965 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 12' ' ' PHE . . . . . 0.615 ' CG ' HD21 ' A' ' 69' ' ' LEU . 4.9 m-85 -63.11 -45.57 91.38 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.191 -0.458 . . . . 14.89 110.61 179.966 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 28.7 mtpt -46.97 -32.94 4.23 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.183 -0.462 . . . . 18.39 110.522 179.999 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 23.1 mm-40 -63.75 -46.28 86.02 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.191 -0.459 . . . . 22.76 110.518 179.978 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 15' ' ' ALA . . . . . 0.579 ' O ' ' CB ' ' A' ' 18' ' ' LEU . . . -48.6 -57.31 6.41 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.209 -0.45 . . . . 5.67 110.512 -179.983 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 16' ' ' PHE . . . . . 0.475 ' CE1' ' HB2' ' A' ' 65' ' ' PHE . 0.2 OUTLIER -42.8 -60.12 1.7 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.191 -0.459 . . . . 13.28 110.451 179.999 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 70.2 p -45.29 -21.52 0.09 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.217 -0.447 . . . . 12.16 110.413 179.905 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 18' ' ' LEU . . . . . 0.579 ' CB ' ' O ' ' A' ' 15' ' ' ALA . 13.7 tp -67.34 -46.27 73.92 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.066 -0.515 . . . . 17.89 110.458 179.89 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 97.0 m-85 -90.05 -50.15 6.18 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.14 -0.482 . . . . 9.14 110.543 179.938 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 20' ' ' ASP . . . . . 0.558 ' OD2' ' OD1' ' A' ' 24' ' ' ASP . 12.5 t0 -71.88 68.54 0.66 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.209 -0.45 . . . . 7.47 110.512 -179.976 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 13.3 tttt -61.59 -19.71 62.51 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.195 -0.457 . . . . 27.75 110.681 -179.96 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 22' ' ' ASP . . . . . 0.528 ' OD2' ' N ' ' A' ' 22' ' ' ASP . 1.1 m-20 -87.44 -15.47 37.6 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.291 -0.413 . . . . 14.13 110.583 -179.909 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 60.35 32.74 78.11 Favored Glycine 0 CA--C 1.524 0.633 0 N-CA-C 110.917 -0.873 . . . . 11.51 110.917 -179.946 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 24' ' ' ASP . . . . . 0.558 ' OD1' ' OD2' ' A' ' 20' ' ' ASP . 9.2 p-10 -80.84 -27.49 36.47 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.791 0.329 . . . . 14.28 110.591 -179.978 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 105.16 5.79 40.14 Favored Glycine 0 CA--C 1.525 0.692 0 N-CA-C 110.889 -0.884 . . . . 9.47 110.889 -179.963 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 1.4 p -148.72 136.74 20.86 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 120.8 0.333 . . . . 16.41 110.576 -179.965 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 19.1 mt -111.8 138.64 39.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.206 -0.452 . . . . 8.03 110.606 179.999 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 33.1 p -111.25 174.89 5.65 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.172 -0.467 . . . . 7.8 110.521 -179.918 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 29' ' ' THR . . . . . 0.607 ' OG1' HD12 ' A' ' 52' ' ' ILE . 0.6 OUTLIER -73.97 -30.77 62.69 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.178 -0.464 . . . . 10.04 110.588 179.955 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 8.4 pttt -68.44 -33.15 73.69 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.194 -0.457 . . . . 16.38 110.56 179.985 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 21.9 mt-10 -85.29 -31.71 22.92 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.234 -0.439 . . . . 5.59 110.461 179.966 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 65.6 tp -72.08 -30.03 64.71 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.164 -0.471 . . . . 7.72 110.505 179.996 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 33' ' ' GLY . . . . . 0.732 ' CA ' HD21 ' A' ' 48' ' ' LEU . . . -66.81 -48.6 60.36 Favored Glycine 0 CA--C 1.525 0.67 0 N-CA-C 110.863 -0.895 . . . . 6.93 110.863 179.952 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 17.7 m -53.41 -33.09 52.53 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.811 0.338 . . . . 9.63 110.49 179.961 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 42.6 t -61.05 -52.33 62.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.204 -0.453 . . . . 7.07 110.542 179.969 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 36' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -62.08 -33.65 74.82 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.182 -0.463 . . . . 10.12 110.509 179.954 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 37' ' ' ARG . . . . . 0.469 ' HG2' HH21 ' A' ' 37' ' ' ARG . 30.7 ttp85 -59.35 -23.45 62.53 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.149 -0.478 . . . . 9.87 110.52 179.941 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 49.5 m -83.32 -21.24 33.24 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.214 -0.448 . . . . 8.15 110.472 179.931 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 39' ' ' LEU . . . . . 0.525 HD21 HD13 ' A' ' 112' ' ' LEU . 39.1 mt -91.76 15.15 13.44 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.18 -0.464 . . . . 12.78 110.504 179.947 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 67.97 26.52 73.94 Favored Glycine 0 CA--C 1.524 0.65 0 N-CA-C 110.937 -0.865 . . . . 9.6 110.937 179.994 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 84.7 mm-40 -104.28 150.21 24.64 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.811 0.339 . . . . 20.35 110.583 -179.995 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 9.4 t-20 -135.92 80.06 43.55 Favored Pre-proline 0 C--N 1.328 -0.332 0 CA-C-N 116.178 -0.465 . . . . 10.22 110.558 179.984 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 59.7 Cg_endo -77.88 154.85 30.23 Favored 'Trans proline' 0 C--N 1.306 -1.685 0 C-N-CA 122.791 2.328 . . . . 8.63 112.16 -179.85 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 3.9 p -85.27 157.7 20.51 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.15 -0.477 . . . . 4.83 110.545 -179.993 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 5.7 mt-10 -56.05 -22.62 28.48 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.238 -0.437 . . . . 16.78 110.576 179.94 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -83.59 -26.5 29.97 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.201 -0.454 . . . . 4.8 110.543 -179.972 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 39.1 tt0 -76.71 -60.84 2.18 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.242 -0.435 . . . . 6.18 110.528 -179.961 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 48' ' ' LEU . . . . . 0.732 HD21 ' CA ' ' A' ' 33' ' ' GLY . 3.3 tp -54.94 -54.96 35.95 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.227 -0.442 . . . . 6.65 110.579 179.969 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 49' ' ' GLN . . . . . 0.442 ' O ' HG22 ' A' ' 52' ' ' ILE . 17.0 tt0 -50.4 -51.98 41.46 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.168 -0.469 . . . . 7.05 110.472 179.964 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 4.4 t70 -69.27 -17.12 63.72 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.18 -0.464 . . . . 6.72 110.484 179.908 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 51' ' ' MET . . . . . . . . . . . . . 1.4 tpt -73.19 -44.59 59.56 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.118 -0.492 . . . . 13.6 110.508 179.996 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 52' ' ' ILE . . . . . 0.607 HD12 ' OG1' ' A' ' 29' ' ' THR . 6.5 tt -59.76 -31.92 48.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.196 -0.456 . . . . 8.71 110.521 179.989 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 63.6 m-20 -67.94 -37.52 81.72 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.218 -0.446 . . . . 9.04 110.553 -179.981 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 65.3 mt-10 -51.2 -49.81 60.28 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.197 -0.456 . . . . 23.58 110.67 -179.854 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 55' ' ' VAL . . . . . 0.493 ' CG2' HD12 ' A' ' 63' ' ' ILE . 18.7 m -80.6 -28.29 11.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.228 -0.442 . . . . 7.6 110.584 -179.953 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 56' ' ' ASP . . . . . 0.576 ' OD2' ' OD2' ' A' ' 60' ' ' ASP . 46.3 t0 -92.33 98.48 11.52 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.199 -0.455 . . . . 12.55 110.575 -179.966 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -83.3 -18.05 40.37 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.223 -0.444 . . . . 15.13 110.527 -179.971 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 58' ' ' ASP . . . . . 0.444 ' N ' ' OD1' ' A' ' 58' ' ' ASP . 0.0 OUTLIER -87.83 -11.0 49.15 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.189 -0.46 . . . . 14.32 110.556 -179.99 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 59' ' ' GLY . . . . . 0.547 ' N ' ' OD1' ' A' ' 56' ' ' ASP . . . 47.26 42.9 18.36 Favored Glycine 0 CA--C 1.524 0.633 0 N-CA-C 110.961 -0.856 . . . . 13.64 110.961 -179.947 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 60' ' ' ASP . . . . . 0.576 ' OD2' ' OD2' ' A' ' 56' ' ' ASP . 3.1 p-10 -78.97 -19.79 50.78 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.827 0.346 . . . . 13.27 110.551 -179.946 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 105.69 1.18 39.94 Favored Glycine 0 CA--C 1.525 0.663 0 N-CA-C 110.962 -0.855 . . . . 11.65 110.962 -179.952 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -138.2 178.63 6.98 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.78 0.324 . . . . 11.55 110.555 179.991 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 63' ' ' ILE . . . . . 0.596 HD11 HG12 ' A' ' 52' ' ' ILE . 42.8 mm -118.23 104.91 16.87 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.249 -0.432 . . . . 10.06 110.658 -179.974 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 64' ' ' ASP . . . . . 0.521 ' OD1' ' OE1' ' A' ' 67' ' ' GLU . 0.0 OUTLIER -78.79 145.72 34.18 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.205 -0.452 . . . . 11.33 110.276 179.867 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 65' ' ' PHE . . . . . 0.671 ' N ' ' CD ' ' A' ' 66' ' ' PRO . 0.4 OUTLIER -70.87 -37.26 6.03 Favored Pre-proline 0 C--N 1.331 -0.222 0 CA-C-N 116.45 -0.341 . . . . 7.4 110.915 -179.666 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 66' ' ' PRO . . . . . 0.671 ' CD ' ' N ' ' A' ' 65' ' ' PHE . 33.0 Cg_exo -55.33 -54.86 3.68 Favored 'Trans proline' 0 C--N 1.309 -1.545 0 C-N-CA 122.387 2.058 . . . . 6.66 111.843 179.73 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 67' ' ' GLU . . . . . 0.521 ' OE1' ' OD1' ' A' ' 64' ' ' ASP . 13.5 pt-20 -70.48 -35.31 73.21 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.121 -0.491 . . . . 7.44 110.439 179.824 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 68' ' ' PHE . . . . . . . . . . . . . 54.0 t80 -46.69 -27.16 1.09 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.165 -0.47 . . . . 8.58 110.392 179.881 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 69' ' ' LEU . . . . . 0.615 HD21 ' CG ' ' A' ' 12' ' ' PHE . 0.6 OUTLIER -83.61 -36.47 23.86 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.131 -0.486 . . . . 9.43 110.149 179.456 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 70' ' ' THR . . . . . 0.485 ' OG1' ' O ' ' A' ' 67' ' ' GLU . 30.6 p -61.85 -51.4 68.37 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.038 -0.528 . . . . 7.53 110.503 179.962 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 71' ' ' MET . . . . . 0.523 ' C ' ' SD ' ' A' ' 71' ' ' MET . 2.0 tmt? -48.33 -45.77 35.69 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.154 -0.476 . . . . 11.86 110.472 179.954 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 72' ' ' MET . . . . . . . . . . . . . 43.1 mtp -73.53 -47.56 39.92 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.162 -0.472 . . . . 22.32 110.522 179.988 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -56.67 -48.93 76.54 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.174 -0.466 . . . . 9.15 110.523 -179.982 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 50.5 ttm-85 -45.32 -46.64 13.01 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.214 -0.448 . . . . 13.8 110.51 -179.943 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 5.7 tttp -48.6 -41.86 32.17 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.222 -0.444 . . . . 25.18 110.556 179.982 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 76' ' ' MET . . . . . . . . . . . . . 4.9 ttm -74.6 -23.15 58.68 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.194 -0.457 . . . . 34.79 110.599 179.958 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 9.8 tttp -105.49 17.18 24.31 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.208 -0.451 . . . . 37.65 110.566 179.986 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 78' ' ' ASP . . . . . 0.423 ' CG ' ' H ' ' A' ' 79' ' ' THR . 19.3 t0 -146.28 -160.51 1.16 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.228 -0.442 . . . . 42.58 110.537 -179.956 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 79' ' ' THR . . . . . 0.423 ' H ' ' CG ' ' A' ' 78' ' ' ASP . 0.0 OUTLIER -87.76 160.01 18.23 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.223 -0.444 . . . . 38.4 110.559 179.977 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -114.08 146.56 40.07 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.217 -0.447 . . . . 37.51 110.536 179.995 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 1.4 m -105.16 150.14 25.32 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.193 -0.458 . . . . 33.12 110.612 179.985 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 82' ' ' GLU . . . . . 0.588 ' O ' ' N ' ' A' ' 85' ' ' ILE . 2.4 mm-40 -84.97 -37.2 20.75 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.209 -0.45 . . . . 34.28 110.605 179.996 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 83' ' ' GLU . . . . . 0.494 ' OE2' ' C ' ' A' ' 83' ' ' GLU . 0.4 OUTLIER -43.09 -35.22 1.24 Allowed 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.235 -0.439 . . . . 30.91 110.582 179.978 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 84' ' ' GLU . . . . . 0.447 ' O ' ' HB3' ' A' ' 88' ' ' ALA . 2.2 pt-20 -82.4 -20.37 37.25 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.275 -0.421 . . . . 22.86 110.58 -179.961 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 85' ' ' ILE . . . . . 0.588 ' N ' ' O ' ' A' ' 82' ' ' GLU . 42.0 mt -79.21 -35.3 17.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.218 -0.446 . . . . 19.17 110.578 -179.966 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 86' ' ' ARG . . . . . 0.423 ' NE ' ' HA ' ' A' ' 83' ' ' GLU . 0.0 OUTLIER -76.72 -53.24 8.23 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.182 -0.463 . . . . 26.85 110.573 -179.982 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 87' ' ' GLU . . . . . 0.851 ' O ' HG23 ' A' ' 91' ' ' VAL . 3.4 mm-40 -60.37 -60.4 3.87 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.166 -0.47 . . . . 16.48 110.625 -179.973 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 88' ' ' ALA . . . . . 0.447 ' HB3' ' O ' ' A' ' 84' ' ' GLU . . . -50.21 -33.32 19.0 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.218 -0.447 . . . . 9.91 110.617 -179.99 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 89' ' ' PHE . . . . . 0.476 ' C ' ' CD2' ' A' ' 89' ' ' PHE . 16.8 t80 -79.12 -61.5 1.99 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.249 -0.432 . . . . 8.53 110.571 -179.9 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 2.0 ptm180 -63.55 -19.06 64.48 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.183 -0.462 . . . . 17.58 110.657 -179.908 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 91' ' ' VAL . . . . . 0.851 HG23 ' O ' ' A' ' 87' ' ' GLU . 4.6 t -62.15 -36.96 77.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.192 -0.458 . . . . 7.82 110.672 -179.931 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 92' ' ' PHE . . . . . 0.459 ' CE1' HG11 ' A' ' 108' ' ' VAL . 8.2 m-85 -92.01 -13.68 30.61 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.265 -0.425 . . . . 9.11 110.678 -179.911 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 93' ' ' ASP . . . . . 0.575 ' OD2' ' O ' ' A' ' 99' ' ' TYR . 13.3 t70 -94.02 68.74 3.81 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.334 -0.394 . . . . 11.11 110.644 -179.932 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 4.8 tttp -49.2 -25.47 2.26 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.184 -0.462 . . . . 14.57 110.984 -179.724 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 95' ' ' ASP . . . . . 0.506 ' OD1' ' N ' ' A' ' 95' ' ' ASP . 0.3 OUTLIER -75.34 -14.57 60.49 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.833 0.349 . . . . 10.2 110.665 -179.837 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 60.35 9.68 13.12 Favored Glycine 0 CA--C 1.525 0.694 0 N-CA-C 111.067 -0.813 . . . . 6.24 111.067 -179.987 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 97' ' ' ASN . . . . . 0.685 ' O ' ' CE1' ' A' ' 99' ' ' TYR . 32.7 p-10 -69.11 -2.33 9.95 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.921 0.391 . . . . 7.56 110.318 179.801 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 98' ' ' GLY . . . . . 0.476 ' C ' ' CD2' ' A' ' 99' ' ' TYR . . . 66.47 10.88 55.19 Favored Glycine 0 CA--C 1.524 0.644 0 N-CA-C 110.964 -0.855 . . . . 7.08 110.964 179.961 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 99' ' ' TYR . . . . . 0.685 ' CE1' ' O ' ' A' ' 97' ' ' ASN . 1.1 m-85 -128.55 136.0 50.15 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.779 0.323 . . . . 9.0 110.579 179.967 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 41.9 mt -121.3 113.14 38.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.259 -0.428 . . . . 9.29 110.494 179.911 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 101' ' ' SER . . . . . 0.527 ' OG ' ' CD ' ' A' ' 135' ' ' GLN . 16.1 m -89.19 151.72 22.01 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.188 -0.46 . . . . 7.02 110.675 -179.894 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -49.14 -19.41 0.44 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.072 -0.513 . . . . 6.41 110.541 -179.979 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -74.45 -51.97 13.37 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.267 -0.424 . . . . 5.01 110.622 179.959 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 54.0 mt-10 -65.38 -50.63 64.79 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.189 -0.46 . . . . 6.84 110.585 179.979 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 105' ' ' LEU . . . . . 0.636 HD23 HD11 ' A' ' 125' ' ' ILE . 28.9 tp -47.65 -49.39 27.54 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.265 -0.425 . . . . 4.99 110.507 -179.978 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 106' ' ' ARG . . . . . 0.566 ' O ' ' OG1' ' A' ' 110' ' ' THR . 4.9 ttp-105 -67.14 -25.21 66.07 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.216 -0.447 . . . . 15.24 110.524 -179.957 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 107' ' ' HIS . . . . . . . . . . . . . 1.3 t60 -62.45 -51.93 65.55 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.195 -0.457 . . . . 15.69 110.499 179.98 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 108' ' ' VAL . . . . . 0.493 ' O ' ' N ' ' A' ' 112' ' ' LEU . 26.7 t -62.99 -62.77 1.02 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.195 -0.457 . . . . 12.28 110.544 -179.993 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 109' ' ' MET . . . . . 0.572 ' O ' ' O ' ' A' ' 114' ' ' GLU . 22.2 mmt -48.24 -34.11 9.72 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.203 -0.453 . . . . 9.53 110.712 -179.966 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 110' ' ' THR . . . . . 0.566 ' OG1' ' O ' ' A' ' 106' ' ' ARG . 17.0 m -62.64 -54.49 38.69 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.279 -0.419 . . . . 11.87 110.661 -179.898 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 111' ' ' ASN . . . . . . . . . . . . . 6.1 m120 -83.49 -10.65 58.21 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.255 -0.43 . . . . 21.65 110.63 -179.961 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 112' ' ' LEU . . . . . 0.525 HD13 HD21 ' A' ' 39' ' ' LEU . 21.1 tp -65.86 -13.15 59.05 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.209 -0.45 . . . . 19.55 110.562 -179.98 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . 113.91 -5.82 23.95 Favored Glycine 0 CA--C 1.525 0.668 0 N-CA-C 110.989 -0.844 . . . . 19.66 110.989 179.92 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 114' ' ' GLU . . . . . 0.572 ' O ' ' O ' ' A' ' 109' ' ' MET . 5.3 mt-10 -124.33 115.62 21.29 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.789 0.328 . . . . 25.55 110.522 179.949 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 37.7 mttt -79.84 118.17 21.38 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.273 -0.421 . . . . 23.26 110.513 -179.987 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 116' ' ' LEU . . . . . 0.522 HD12 ' HB3' ' A' ' 109' ' ' MET . 1.0 OUTLIER -111.23 147.79 34.25 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.184 -0.462 . . . . 23.07 110.543 179.994 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 117' ' ' THR . . . . . . . . . . . . . 6.3 p -83.18 148.78 27.24 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.202 -0.454 . . . . 19.41 110.575 179.969 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 118' ' ' ASP . . . . . 0.518 ' O ' ' CG ' ' A' ' 122' ' ' ASP . 0.5 OUTLIER -69.61 -34.84 74.67 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.208 -0.451 . . . . 18.08 110.565 -179.991 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 119' ' ' GLU . . . . . . . . . . . . . 4.1 tm-20 -63.17 -50.82 68.85 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.218 -0.446 . . . . 20.16 110.576 179.982 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 120' ' ' GLU . . . . . . . . . . . . . 17.7 tt0 -61.98 -48.8 78.74 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.205 -0.452 . . . . 14.19 110.584 -179.963 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 121' ' ' VAL . . . . . 0.423 HG12 HD12 ' A' ' 125' ' ' ILE . 85.4 t -64.69 -38.11 81.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.18 -0.463 . . . . 14.97 110.561 179.952 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 122' ' ' ASP . . . . . 0.518 ' CG ' ' O ' ' A' ' 118' ' ' ASP . 57.7 m-20 -73.79 -40.59 63.31 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.185 -0.461 . . . . 20.12 110.585 -179.988 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 123' ' ' GLU . . . . . . . . . . . . . 20.2 tt0 -58.29 -51.96 67.57 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.243 -0.435 . . . . 15.72 110.539 179.976 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 124' ' ' MET . . . . . 0.528 ' SD ' ' O ' ' A' ' 124' ' ' MET . 0.0 OUTLIER -60.9 -52.92 62.98 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.229 -0.441 . . . . 9.75 110.6 179.971 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 125' ' ' ILE . . . . . 0.755 HG22 ' OD2' ' A' ' 129' ' ' ASP . 39.4 mt -61.66 -62.73 1.0 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.208 -0.451 . . . . 11.99 110.59 179.956 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 126' ' ' ARG . . . . . . . . . . . . . 28.3 ttp180 -44.6 -25.86 0.31 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.249 -0.432 . . . . 27.23 110.533 179.978 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 127' ' ' GLU . . . . . . . . . . . . . 74.8 tt0 -78.97 -47.29 16.59 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.217 -0.447 . . . . 15.5 110.5 -179.957 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 128' ' ' ALA . . . . . . . . . . . . . . . -75.14 -10.85 59.84 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.205 -0.452 . . . . 10.5 110.606 179.93 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 129' ' ' ASP . . . . . 0.755 ' OD2' HG22 ' A' ' 125' ' ' ILE . 70.3 m-20 -74.06 92.83 2.19 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.2 -0.455 . . . . 10.86 110.568 179.983 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 130' ' ' ILE . . . . . 0.434 HD12 ' OE2' ' A' ' 140' ' ' GLU . 39.8 mt -49.02 -42.11 14.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.179 -0.464 . . . . 12.26 110.582 -179.978 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 131' ' ' ASP . . . . . 0.573 ' OD1' ' OD1' ' A' ' 133' ' ' ASP . 3.7 p30 -86.07 -17.73 34.35 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.278 -0.419 . . . . 7.79 110.62 179.968 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 132' ' ' GLY . . . . . . . . . . . . . . . 58.81 56.32 25.97 Favored Glycine 0 CA--C 1.525 0.67 0 N-CA-C 110.928 -0.869 . . . . 3.93 110.928 -179.998 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 133' ' ' ASP . . . . . 0.573 ' OD1' ' OD1' ' A' ' 131' ' ' ASP . 1.2 p30 -101.01 -15.73 17.37 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.832 0.349 . . . . 9.56 110.611 -179.984 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 134' ' ' GLY . . . . . . . . . . . . . . . 104.92 12.19 28.4 Favored Glycine 0 CA--C 1.525 0.659 0 N-CA-C 110.937 -0.865 . . . . 7.32 110.937 -179.96 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 135' ' ' GLN . . . . . 0.563 ' O ' ' OD1' ' A' ' 129' ' ' ASP . 30.8 mt-30 -148.73 167.9 24.32 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.73 0.3 . . . . 22.05 110.442 -179.946 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 136' ' ' VAL . . . . . 0.515 HG13 ' HB3' ' A' ' 140' ' ' GLU . 35.3 t -121.63 100.3 8.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.301 -0.409 . . . . 10.34 110.599 179.962 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 137' ' ' ASN . . . . . 0.666 ' ND2' ' OE1' ' A' ' 140' ' ' GLU . 1.1 p-10 -71.23 162.49 29.34 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.158 -0.474 . . . . 12.02 110.657 -179.963 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 138' ' ' TYR . . . . . 0.47 ' CZ ' ' CD2' ' A' ' 89' ' ' PHE . 0.1 OUTLIER -51.39 -34.97 36.71 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.149 -0.478 . . . . 8.75 110.42 179.991 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 139' ' ' GLU . . . . . . . . . . . . . 1.4 tp10 -59.85 -43.28 94.72 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.172 -0.467 . . . . 22.33 110.581 179.978 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 140' ' ' GLU . . . . . 0.666 ' OE1' ' ND2' ' A' ' 137' ' ' ASN . 1.3 mp0 -64.51 -37.42 87.47 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.163 -0.471 . . . . 13.45 110.473 -179.984 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 141' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -56.99 -31.23 64.85 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.186 -0.461 . . . . 8.25 110.502 179.92 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 142' ' ' VAL . . . . . . . . . . . . . 47.6 t -68.5 -21.53 26.29 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.169 -0.469 . . . . 10.15 110.544 179.988 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 143' ' ' GLN . . . . . . . . . . . . . 19.7 mm100 -81.23 -31.34 33.9 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.214 -0.448 . . . . 8.24 110.519 -179.993 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 144' ' ' MET . . . . . 0.439 ' SD ' ' O ' ' A' ' 144' ' ' MET . 1.9 tmt? -79.88 -9.36 59.66 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.245 -0.434 . . . . 6.68 110.589 179.998 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 145' ' ' MET . . . . . 0.428 ' SD ' ' O ' ' A' ' 145' ' ' MET . 0.0 OUTLIER . . . . . 0 C--N 1.328 -0.333 0 CA-C-N 116.213 -0.449 . . . . 13.37 110.61 179.982 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 34.8 tp60 . . . . . 0 C--O 1.231 0.123 0 CA-C-O 120.827 0.346 . . . . 23.46 110.538 . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 4' ' ' LEU . . . . . 0.515 HD23 ' CG1' ' A' ' 9' ' ' ILE . 1.1 tp -76.34 126.99 31.99 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.187 -0.461 . . . . 14.38 110.605 -179.973 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -74.51 148.63 40.78 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.193 -0.458 . . . . 7.34 110.546 179.963 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 6' ' ' GLU . . . . . 0.407 ' H ' ' HG3' ' A' ' 6' ' ' GLU . 24.1 mt-10 -52.87 -43.55 66.19 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.196 -0.457 . . . . 7.12 110.634 -179.975 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 1.2 tm-20 -51.42 -27.49 10.27 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.216 -0.447 . . . . 6.85 110.552 179.962 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 67.6 mt-30 -87.94 -43.85 11.46 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.237 -0.438 . . . . 15.1 110.575 -179.985 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 9' ' ' ILE . . . . . 0.515 ' CG1' HD23 ' A' ' 4' ' ' LEU . 97.6 mt -59.0 -30.66 43.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.134 -0.485 . . . . 4.72 110.638 179.953 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -70.55 -59.45 2.83 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.212 -0.449 . . . . 6.68 110.516 -179.983 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 12.6 tt0 -44.07 -40.86 5.15 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.211 -0.45 . . . . 18.49 110.601 -179.995 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 8.0 m-85 -57.75 -42.64 84.35 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.207 -0.452 . . . . 14.89 110.556 -179.988 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 8.8 ttmm -52.01 -40.19 60.64 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.193 -0.458 . . . . 18.39 110.592 179.998 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 1.1 tp10 -59.46 -39.65 84.36 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.188 -0.46 . . . . 22.76 110.576 179.984 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -61.83 -45.28 94.52 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.166 -0.47 . . . . 5.67 110.568 179.968 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 16' ' ' PHE . . . . . 0.658 ' CZ ' HD11 ' A' ' 27' ' ' ILE . 4.0 t80 -54.48 -60.16 3.72 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.28 -0.418 . . . . 13.28 110.548 -179.988 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 1.3 m -47.39 -21.74 0.35 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.21 -0.45 . . . . 12.16 110.526 179.994 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 11.9 tp -86.75 -29.13 22.6 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.195 -0.457 . . . . 17.89 110.536 -179.989 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 19' ' ' PHE . . . . . 0.465 ' N ' ' O ' ' A' ' 16' ' ' PHE . 25.1 m-85 -90.07 -50.39 6.03 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.248 -0.433 . . . . 9.14 110.554 -180.0 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 20' ' ' ASP . . . . . 0.473 ' HB2' ' CE2' ' A' ' 16' ' ' PHE . 8.7 t0 -91.91 86.94 6.03 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.26 -0.427 . . . . 7.47 110.558 179.967 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -74.95 -19.62 60.03 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.15 -0.477 . . . . 27.75 110.697 -179.892 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 22' ' ' ASP . . . . . 0.557 ' OD1' ' OE2' ' A' ' 31' ' ' GLU . 4.7 m-20 -82.17 -15.46 53.18 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.264 -0.425 . . . . 14.13 110.718 -179.869 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 59.6 37.47 92.3 Favored Glycine 0 CA--C 1.525 0.711 0 N-CA-C 110.985 -0.846 . . . . 11.51 110.985 179.981 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 72.0 m-20 -81.71 -27.48 33.9 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.768 0.318 . . . . 14.28 110.607 -179.993 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 105.23 4.42 41.09 Favored Glycine 0 CA--C 1.524 0.644 0 N-CA-C 110.949 -0.86 . . . . 9.47 110.949 -179.996 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 35.0 p -148.7 138.13 21.87 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.823 0.344 . . . . 16.41 110.572 179.994 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 27' ' ' ILE . . . . . 0.658 HD11 ' CZ ' ' A' ' 16' ' ' PHE . 7.4 mm -91.36 122.29 42.63 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.152 -0.476 . . . . 8.03 110.604 -179.99 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 63.1 p -105.63 172.59 6.72 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.225 -0.443 . . . . 7.8 110.574 -179.946 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 29' ' ' THR . . . . . 0.938 HG23 HD12 ' A' ' 52' ' ' ILE . 22.2 p -73.63 -37.6 65.31 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.212 -0.449 . . . . 10.04 110.618 179.987 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 30' ' ' LYS . . . . . 0.539 ' O ' ' OG1' ' A' ' 34' ' ' THR . 17.7 ttpp -58.27 -34.74 70.84 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.203 -0.453 . . . . 16.38 110.55 -179.973 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 31' ' ' GLU . . . . . 0.561 ' O ' HG23 ' A' ' 35' ' ' VAL . 2.1 mm-40 -85.42 -34.68 21.65 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.24 -0.436 . . . . 5.59 110.555 179.981 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 32' ' ' LEU . . . . . 0.439 ' HB3' HD11 ' A' ' 48' ' ' LEU . 15.6 tp -62.48 -55.89 23.32 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.126 -0.488 . . . . 7.72 110.626 -179.977 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 33' ' ' GLY . . . . . 0.523 ' O ' ' N ' ' A' ' 37' ' ' ARG . . . -57.31 -48.54 79.59 Favored Glycine 0 CA--C 1.525 0.675 0 N-CA-C 110.921 -0.872 . . . . 6.93 110.921 179.979 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 34' ' ' THR . . . . . 0.539 ' OG1' ' O ' ' A' ' 30' ' ' LYS . 0.1 OUTLIER -52.68 -38.64 60.9 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.808 0.337 . . . . 9.63 110.585 179.996 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 35' ' ' VAL . . . . . 0.561 HG23 ' O ' ' A' ' 31' ' ' GLU . 73.4 t -71.45 -42.23 73.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.218 -0.447 . . . . 7.07 110.609 -179.97 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 36' ' ' MET . . . . . . . . . . . . . 9.3 mmt -77.77 -24.1 49.04 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.224 -0.443 . . . . 10.12 110.628 179.957 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 37' ' ' ARG . . . . . 0.523 ' N ' ' O ' ' A' ' 33' ' ' GLY . 49.9 ttm-85 -66.66 -33.53 75.85 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.202 -0.454 . . . . 9.87 110.576 -179.992 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 5.1 t -84.61 -12.85 53.2 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.161 -0.472 . . . . 8.15 110.54 -179.98 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 39' ' ' LEU . . . . . 0.437 ' HA ' HD23 ' A' ' 39' ' ' LEU . 16.3 mt -79.8 4.97 14.81 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.184 -0.462 . . . . 12.78 110.589 -179.998 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 86.59 9.41 75.28 Favored Glycine 0 CA--C 1.525 0.696 0 N-CA-C 110.91 -0.876 . . . . 9.6 110.91 179.985 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 21.0 tt0 -101.56 146.7 27.33 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 120.817 0.341 . . . . 20.35 110.665 179.998 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 61.3 t30 -126.81 80.04 71.35 Favored Pre-proline 0 C--N 1.329 -0.288 0 CA-C-N 116.137 -0.483 . . . . 10.22 110.504 -179.977 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 61.1 Cg_endo -78.32 146.91 22.59 Favored 'Trans proline' 0 C--N 1.305 -1.711 0 C-N-CA 122.819 2.346 . . . . 8.63 112.311 -179.9 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 23.1 p -78.87 168.66 19.39 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.095 -0.502 . . . . 4.83 110.456 179.916 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 3.2 mm-40 -65.94 -36.98 84.85 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.238 -0.437 . . . . 16.78 110.553 -179.987 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -70.23 -24.85 63.16 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.162 -0.472 . . . . 4.8 110.613 179.995 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 47' ' ' GLU . . . . . 0.56 ' O ' ' N ' ' A' ' 51' ' ' MET . 3.9 tt0 -79.73 -58.23 3.28 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.141 -0.482 . . . . 6.18 110.546 179.989 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 48' ' ' LEU . . . . . 0.45 HD22 ' HA ' ' A' ' 48' ' ' LEU . 0.1 OUTLIER -50.51 -54.78 19.68 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.21 -0.45 . . . . 6.65 110.537 179.961 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 49' ' ' GLN . . . . . 0.506 ' O ' HG22 ' A' ' 52' ' ' ILE . 28.5 mm-40 -58.74 -50.67 73.04 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.212 -0.449 . . . . 7.05 110.508 -179.997 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 50' ' ' ASP . . . . . 0.527 ' OD1' ' O ' ' A' ' 50' ' ' ASP . 38.0 t0 -67.21 -25.13 65.96 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.221 -0.445 . . . . 6.72 110.526 179.955 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 51' ' ' MET . . . . . 0.56 ' N ' ' O ' ' A' ' 47' ' ' GLU . 7.1 tpt -63.78 -50.31 69.51 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.2 -0.454 . . . . 13.6 110.567 179.983 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 52' ' ' ILE . . . . . 0.938 HD12 HG23 ' A' ' 29' ' ' THR . 6.5 tt -52.53 -36.94 22.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.232 -0.44 . . . . 8.71 110.483 179.949 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 53' ' ' ASN . . . . . 0.432 ' N ' ' CG2' ' A' ' 52' ' ' ILE . 53.5 t30 -51.77 -45.11 63.63 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.195 -0.457 . . . . 9.04 110.469 179.907 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 39.1 mt-10 -51.12 -45.62 61.65 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.23 -0.441 . . . . 23.58 110.512 -179.971 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 55' ' ' VAL . . . . . 0.772 HG22 ' HG3' ' A' ' 71' ' ' MET . 42.1 t -87.54 -11.05 10.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.229 -0.441 . . . . 7.6 110.532 179.959 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 56' ' ' ASP . . . . . 0.547 ' OD1' ' OD1' ' A' ' 60' ' ' ASP . 10.7 t0 -107.59 90.94 3.45 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.249 -0.432 . . . . 12.55 110.577 179.998 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -80.57 -32.4 36.6 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.166 -0.47 . . . . 15.13 110.563 -179.999 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 2.7 m-20 -80.7 -9.19 59.81 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.231 -0.44 . . . . 14.32 110.563 180.0 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 55.47 38.48 70.31 Favored Glycine 0 CA--C 1.524 0.624 0 N-CA-C 110.954 -0.859 . . . . 13.64 110.954 -179.983 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 60' ' ' ASP . . . . . 0.547 ' OD1' ' OD1' ' A' ' 56' ' ' ASP . 0.1 OUTLIER -79.8 -23.17 42.3 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.787 0.327 . . . . 13.27 110.512 -179.994 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 105.7 -2.61 39.09 Favored Glycine 0 CA--C 1.525 0.68 0 N-CA-C 110.931 -0.868 . . . . 11.65 110.931 -179.982 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 62' ' ' THR . . . . . 0.401 ' O ' HD13 ' A' ' 63' ' ' ILE . 0.0 OUTLIER -143.75 175.09 10.25 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.765 0.317 . . . . 11.55 110.61 179.959 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 63' ' ' ILE . . . . . 0.769 HD12 HG12 ' A' ' 55' ' ' VAL . 48.9 mm -124.18 141.03 45.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.2 -0.455 . . . . 10.06 110.628 -179.913 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 24.6 p-10 -117.77 -172.68 2.29 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.184 -0.462 . . . . 11.33 110.439 179.893 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 65' ' ' PHE . . . . . 0.433 ' CB ' ' HD3' ' A' ' 66' ' ' PRO . 0.2 OUTLIER -67.48 -53.87 21.08 Favored Pre-proline 0 C--N 1.331 -0.225 0 CA-C-N 116.528 -0.306 . . . . 7.4 110.836 -179.605 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 66' ' ' PRO . . . . . 0.433 ' HD3' ' CB ' ' A' ' 65' ' ' PHE . 44.8 Cg_exo -51.33 -40.91 61.07 Favored 'Trans proline' 0 C--N 1.309 -1.55 0 C-N-CA 122.506 2.137 . . . . 6.66 112.059 179.919 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 67' ' ' GLU . . . . . 0.537 ' CD ' ' O ' ' A' ' 55' ' ' VAL . 16.2 tt0 -83.73 -29.99 27.07 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.054 -0.521 . . . . 7.44 110.747 -179.824 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 68' ' ' PHE . . . . . . . . . . . . . 31.6 t80 -64.92 -36.31 83.97 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.265 -0.425 . . . . 8.58 110.653 -179.927 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 6.5 mp -83.47 -44.36 14.81 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.364 -0.38 . . . . 9.43 110.323 179.617 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 35.0 m -51.89 -46.04 64.4 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.115 -0.493 . . . . 7.53 110.489 179.992 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 71' ' ' MET . . . . . 0.772 ' HG3' HG22 ' A' ' 55' ' ' VAL . 0.1 OUTLIER -53.44 -46.8 70.0 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.157 -0.474 . . . . 11.86 110.597 179.889 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 72' ' ' MET . . . . . 0.485 ' N ' ' SD ' ' A' ' 71' ' ' MET . 79.0 mmm -74.95 -49.69 19.23 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.148 -0.478 . . . . 22.32 110.583 -179.999 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -57.59 -46.14 84.38 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.206 -0.452 . . . . 9.15 110.606 -179.901 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 74' ' ' ARG . . . . . 0.526 ' O ' ' N ' ' A' ' 77' ' ' LYS . 27.7 mtm180 -45.33 -52.56 9.65 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.262 -0.426 . . . . 13.8 110.594 -179.966 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 42.6 mttm -45.41 -40.29 7.96 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.226 -0.443 . . . . 25.18 110.583 179.96 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 76' ' ' MET . . . . . . . . . . . . . 20.9 mmm -72.18 -18.72 61.84 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.18 -0.463 . . . . 34.79 110.631 -179.991 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 77' ' ' LYS . . . . . 0.535 ' O ' ' OD2' ' A' ' 78' ' ' ASP . 13.9 mmmt -113.07 39.99 2.43 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.199 -0.455 . . . . 37.65 110.625 179.986 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 78' ' ' ASP . . . . . 0.535 ' OD2' ' O ' ' A' ' 77' ' ' LYS . 50.2 m-20 -170.31 -177.3 2.43 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.216 -0.447 . . . . 42.58 110.591 -180.0 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 79' ' ' THR . . . . . 0.415 HG22 ' H ' ' A' ' 79' ' ' THR . 0.1 OUTLIER -72.24 161.79 30.36 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.213 -0.449 . . . . 38.4 110.611 179.996 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 32.0 t70 -128.75 152.27 48.62 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.228 -0.442 . . . . 37.51 110.598 179.95 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -114.83 118.21 32.9 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.193 -0.458 . . . . 33.12 110.584 -179.999 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 82' ' ' GLU . . . . . 0.403 ' HG3' ' H ' ' A' ' 82' ' ' GLU . 5.0 mt-10 -56.33 -10.45 0.91 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.268 -0.424 . . . . 34.28 110.567 179.987 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 15.6 tt0 -66.16 -42.3 89.17 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.238 -0.437 . . . . 30.91 110.538 179.99 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 13.6 tp10 -67.51 -34.55 77.36 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.207 -0.451 . . . . 22.86 110.571 179.977 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 85' ' ' ILE . . . . . . . . . . . . . 10.3 mt -72.08 -21.48 20.66 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.233 -0.439 . . . . 19.17 110.635 179.993 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 45.6 mtt180 -79.4 -55.57 4.96 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.167 -0.469 . . . . 26.85 110.565 179.97 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 87' ' ' GLU . . . . . 0.817 ' O ' HG23 ' A' ' 91' ' ' VAL . 0.3 OUTLIER -56.41 -61.39 2.44 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.22 -0.445 . . . . 16.48 110.56 -179.962 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -46.11 -49.31 16.77 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.227 -0.442 . . . . 9.91 110.602 -179.951 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 89' ' ' PHE . . . . . 0.678 ' CD2' ' CZ ' ' A' ' 138' ' ' TYR . 24.7 t80 -63.62 -59.12 5.02 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.18 -0.463 . . . . 8.53 110.537 179.958 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 61.7 ttt-85 -63.58 -18.49 63.94 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.157 -0.474 . . . . 17.58 110.614 180.0 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 91' ' ' VAL . . . . . 0.817 HG23 ' O ' ' A' ' 87' ' ' GLU . 7.1 t -69.89 -20.84 23.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.164 -0.471 . . . . 7.82 110.7 -179.972 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 92' ' ' PHE . . . . . 0.407 ' CD1' HG11 ' A' ' 108' ' ' VAL . 12.1 m-85 -95.43 -31.67 13.27 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.29 -0.414 . . . . 9.11 110.672 -179.883 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 93' ' ' ASP . . . . . 0.491 ' OD2' ' N ' ' A' ' 97' ' ' ASN . 15.6 t70 -82.77 68.73 9.36 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.269 -0.423 . . . . 11.11 110.719 -179.829 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 17.4 tttt -45.79 -18.28 0.04 OUTLIER 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.141 -0.481 . . . . 14.57 111.215 -179.742 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 95' ' ' ASP . . . . . 0.534 ' OD1' ' OE2' ' A' ' 104' ' ' GLU . 0.0 OUTLIER -75.09 -8.71 57.31 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-O 120.898 0.38 . . . . 10.2 110.653 -179.764 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 60.2 9.53 11.87 Favored Glycine 0 CA--C 1.525 0.684 0 N-CA-C 110.855 -0.898 . . . . 6.24 110.855 -179.894 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 97' ' ' ASN . . . . . 0.54 ' ND2' ' O ' ' A' ' 97' ' ' ASN . 1.7 t-20 -83.7 -20.04 34.19 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.854 0.359 . . . . 7.56 110.368 179.871 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . 82.99 30.04 32.7 Favored Glycine 0 CA--C 1.525 0.687 0 N-CA-C 111.092 -0.803 . . . . 7.08 111.092 179.844 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 99' ' ' TYR . . . . . 0.665 ' CE2' ' OD1' ' A' ' 137' ' ' ASN . 28.9 m-85 -130.78 134.82 47.19 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.826 0.346 . . . . 9.0 110.622 179.889 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 77.1 mt -122.23 99.31 6.77 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.257 0 CA-C-N 116.119 -0.491 . . . . 9.29 110.667 -179.987 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 101' ' ' SER . . . . . 0.492 ' O ' ' N ' ' A' ' 103' ' ' ALA . 41.7 m -88.44 151.69 22.39 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.247 -0.433 . . . . 7.02 110.595 -179.945 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -42.77 -20.75 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.124 -0.489 . . . . 6.41 110.641 -179.9 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 103' ' ' ALA . . . . . 0.492 ' N ' ' O ' ' A' ' 101' ' ' SER . . . -83.35 -60.05 2.26 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.26 -0.427 . . . . 5.01 110.647 179.97 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 104' ' ' GLU . . . . . 0.534 ' OE2' ' OD1' ' A' ' 95' ' ' ASP . 47.5 mt-10 -50.59 -48.2 57.78 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.205 -0.452 . . . . 6.84 110.574 179.968 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 105' ' ' LEU . . . . . 0.537 HD23 HG13 ' A' ' 121' ' ' VAL . 9.1 tp -53.79 -42.1 67.96 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.218 -0.446 . . . . 4.99 110.545 -179.952 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 106' ' ' ARG . . . . . 0.671 ' HG3' HG11 ' A' ' 121' ' ' VAL . 18.9 mtp-105 -71.25 -19.32 62.37 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.232 -0.44 . . . . 15.24 110.594 -179.988 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 107' ' ' HIS . . . . . . . . . . . . . 1.2 t60 -73.68 -46.34 47.0 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.212 -0.449 . . . . 15.69 110.678 -179.925 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 108' ' ' VAL . . . . . 0.419 ' C ' ' N ' ' A' ' 110' ' ' THR . 58.4 t -81.61 -61.07 1.86 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.225 -0.443 . . . . 12.28 110.669 -179.876 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 109' ' ' MET . . . . . . . . . . . . . 20.6 mmm -47.57 -17.72 0.1 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.23 -0.441 . . . . 9.53 110.664 -179.789 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 110' ' ' THR . . . . . 0.57 ' OG1' ' O ' ' A' ' 106' ' ' ARG . 1.4 m -79.99 -43.94 21.11 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.334 -0.394 . . . . 11.87 110.729 -179.905 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 111' ' ' ASN . . . . . . . . . . . . . 9.5 m-20 -61.57 -16.28 46.52 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.401 -0.363 . . . . 21.65 110.709 -179.836 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 3.8 mm? -49.93 -34.3 20.17 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.33 -0.396 . . . . 19.55 110.562 -179.985 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . 115.64 9.95 12.02 Favored Glycine 0 CA--C 1.525 0.664 0 N-CA-C 110.732 -0.947 . . . . 19.66 110.732 -179.718 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 114' ' ' GLU . . . . . 0.691 ' O ' HD23 ' A' ' 116' ' ' LEU . 7.3 pt-20 -124.39 129.23 50.32 Favored 'General case' 0 C--N 1.329 -0.29 0 N-CA-C 110.194 -0.299 . . . . 25.55 110.194 179.602 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 25.3 mtmt -78.93 116.83 19.49 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.809 0.338 . . . . 23.26 110.74 -179.884 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 116' ' ' LEU . . . . . 0.691 HD23 ' O ' ' A' ' 114' ' ' GLU . 0.2 OUTLIER -107.84 159.02 16.83 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.182 -0.463 . . . . 23.07 110.467 179.936 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 117' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -97.77 148.66 23.15 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.176 -0.465 . . . . 19.41 110.559 -179.983 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 118' ' ' ASP . . . . . 0.512 ' OD2' ' NH1' ' A' ' 106' ' ' ARG . 0.0 OUTLIER -70.49 -38.64 74.37 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.216 -0.447 . . . . 18.08 110.576 179.989 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 119' ' ' GLU . . . . . 0.494 ' O ' ' CD ' ' A' ' 123' ' ' GLU . 31.9 mt-10 -57.15 -31.47 65.4 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.215 -0.448 . . . . 20.16 110.567 179.986 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 120' ' ' GLU . . . . . . . . . . . . . 61.2 mt-10 -80.06 -60.07 2.48 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.197 -0.456 . . . . 14.19 110.576 179.975 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 121' ' ' VAL . . . . . 0.671 HG11 ' HG3' ' A' ' 106' ' ' ARG . 64.3 t -51.27 -51.98 21.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.161 -0.472 . . . . 14.97 110.543 -179.968 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 122' ' ' ASP . . . . . . . . . . . . . 42.8 m-20 -54.87 -38.28 67.31 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.168 -0.469 . . . . 20.12 110.534 -179.976 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 123' ' ' GLU . . . . . 0.661 ' O ' ' N ' ' A' ' 127' ' ' GLU . 26.6 mt-10 -70.77 -50.25 37.97 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.224 -0.444 . . . . 15.72 110.562 179.982 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 124' ' ' MET . . . . . . . . . . . . . 0.2 OUTLIER -52.75 -61.21 2.44 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.155 -0.475 . . . . 9.75 110.561 -179.947 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 125' ' ' ILE . . . . . 0.512 ' CG2' ' N ' ' A' ' 126' ' ' ARG . 10.3 tt -55.52 -41.0 61.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.175 -0.466 . . . . 11.99 110.585 179.999 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 126' ' ' ARG . . . . . 0.512 ' N ' ' CG2' ' A' ' 125' ' ' ILE . 7.4 tmm_? -79.42 -19.31 50.3 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.201 -0.454 . . . . 27.23 110.592 -179.986 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 127' ' ' GLU . . . . . 0.661 ' N ' ' O ' ' A' ' 123' ' ' GLU . 6.7 mm-40 -85.17 -19.45 31.73 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.261 -0.427 . . . . 15.5 110.56 -179.969 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 128' ' ' ALA . . . . . 0.401 ' O ' HD13 ' A' ' 130' ' ' ILE . . . -100.27 -31.13 11.51 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.238 -0.437 . . . . 10.5 110.591 179.948 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 129' ' ' ASP . . . . . 0.606 ' OD2' ' N ' ' A' ' 132' ' ' GLY . 30.3 t0 -60.82 94.81 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.154 -0.475 . . . . 10.86 110.601 -179.914 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 130' ' ' ILE . . . . . 0.81 ' H ' HD13 ' A' ' 130' ' ' ILE . 0.0 OUTLIER -48.46 -23.82 0.86 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.109 -0.496 . . . . 12.26 110.729 -179.733 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 131' ' ' ASP . . . . . 0.551 ' N ' ' OD2' ' A' ' 129' ' ' ASP . 0.0 OUTLIER -97.73 -18.13 19.0 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.397 -0.365 . . . . 7.79 110.596 179.972 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 132' ' ' GLY . . . . . 0.606 ' N ' ' OD2' ' A' ' 129' ' ' ASP . . . 62.0 55.57 27.37 Favored Glycine 0 CA--C 1.525 0.706 0 N-CA-C 110.833 -0.907 . . . . 3.93 110.833 -179.942 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 133' ' ' ASP . . . . . 0.466 ' H ' ' CG ' ' A' ' 129' ' ' ASP . 21.1 t0 -100.93 10.45 41.1 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.757 0.313 . . . . 9.56 110.64 -179.935 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 134' ' ' GLY . . . . . . . . . . . . . . . 72.18 -3.9 20.49 Favored Glycine 0 CA--C 1.525 0.669 0 N-CA-C 110.855 -0.898 . . . . 7.32 110.855 -179.944 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 135' ' ' GLN . . . . . 0.662 ' NE2' ' O ' ' A' ' 136' ' ' VAL . 1.5 tm0? -137.84 158.54 44.13 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.77 0.319 . . . . 22.05 110.39 179.931 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 136' ' ' VAL . . . . . 0.662 ' O ' ' NE2' ' A' ' 135' ' ' GLN . 13.6 t -108.04 134.27 50.39 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.283 -0.417 . . . . 10.34 110.626 -179.978 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 137' ' ' ASN . . . . . 0.665 ' OD1' ' CE2' ' A' ' 99' ' ' TYR . 33.9 m-20 -110.04 159.36 17.37 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.107 -0.497 . . . . 12.02 110.207 179.467 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 138' ' ' TYR . . . . . 0.678 ' CZ ' ' CD2' ' A' ' 89' ' ' PHE . 0.8 OUTLIER -54.69 -31.72 58.29 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.823 0.344 . . . . 8.75 110.396 179.864 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 139' ' ' GLU . . . . . . . . . . . . . 82.8 mt-10 -66.03 -42.56 89.44 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.157 -0.474 . . . . 22.33 110.501 179.879 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 140' ' ' GLU . . . . . . . . . . . . . 1.8 mt-10 -63.48 -38.92 92.97 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.151 -0.477 . . . . 13.45 110.375 179.96 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 141' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -50.05 -38.56 38.56 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.143 -0.481 . . . . 8.25 110.34 179.846 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 142' ' ' VAL . . . . . . . . . . . . . 88.7 t -73.52 -37.01 49.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.147 -0.479 . . . . 10.15 110.481 179.936 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 143' ' ' GLN . . . . . 0.628 ' O ' ' N ' ' A' ' 147' ' ' ALA . 17.9 mm100 -48.51 -54.87 12.68 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.178 -0.465 . . . . 8.24 110.492 179.986 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 144' ' ' MET . . . . . . . . . . . . . 31.4 ttp -49.1 -46.6 45.02 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.199 -0.455 . . . . 6.68 110.422 179.974 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 145' ' ' MET . . . . . . . . . . . . . 22.4 ttm -77.57 -12.38 59.96 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.141 -0.481 . . . . 13.37 110.518 179.902 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 146' ' ' THR . . . . . 0.619 ' O ' HG22 ' A' ' 146' ' ' THR . 79.5 m -113.08 4.8 16.82 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.132 -0.485 . . . . 10.78 110.584 179.938 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 147' ' ' ALA . . . . . 0.628 ' N ' ' O ' ' A' ' 143' ' ' GLN . . . -106.38 104.64 14.38 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.126 -0.488 . . . . 18.52 110.571 179.918 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 148' ' ' LYS . . . . . . . . . . . . . 24.2 mttm . . . . . 0 C--O 1.221 -0.445 0 CA-C-O 118.012 -0.995 . . . . 23.42 110.553 -179.949 . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 401' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 402' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 403' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 404' ' ' ' TB' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 3' ' ' GLN . . . . . 0.756 HE21 ' N ' ' A' ' 3' ' ' GLN . 0.0 OUTLIER . . . . . 0 C--O 1.231 0.122 0 CA-C-O 120.794 0.331 . . . . 23.46 110.587 . . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 4' ' ' LEU . . . . . 0.431 ' O ' HD11 ' A' ' 9' ' ' ILE . 1.5 tp -83.95 127.83 34.13 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.21 -0.45 . . . . 14.38 110.567 179.999 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -66.38 148.57 51.68 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.197 -0.456 . . . . 7.34 110.604 179.995 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 86.9 mt-10 -51.72 -40.9 61.01 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.211 -0.45 . . . . 7.12 110.574 179.957 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 2.8 tp10 -51.49 -59.6 4.07 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.207 -0.451 . . . . 6.85 110.546 -179.964 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 6.6 mm100 -60.6 -47.01 88.1 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.175 -0.466 . . . . 15.1 110.56 -179.948 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 9' ' ' ILE . . . . . 0.431 HD11 ' O ' ' A' ' 4' ' ' LEU . 96.5 mt -53.85 -29.51 18.18 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.213 -0.449 . . . . 4.72 110.594 -179.994 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -75.04 -59.29 2.8 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.177 -0.465 . . . . 6.68 110.569 -179.973 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -49.07 -28.04 3.82 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.207 -0.452 . . . . 18.49 110.596 179.986 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 12' ' ' PHE . . . . . 0.799 ' HB3' HD21 ' A' ' 69' ' ' LEU . 2.1 m-85 -68.38 -49.58 59.11 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.198 -0.455 . . . . 14.89 110.54 179.999 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 7.2 tttm -46.86 -26.69 1.03 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.186 -0.461 . . . . 18.39 110.565 179.983 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 63.7 mm-40 -66.86 -46.35 75.31 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.139 -0.482 . . . . 22.76 110.506 179.909 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -52.88 -28.01 21.2 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.144 -0.48 . . . . 5.67 110.558 179.963 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 16' ' ' PHE . . . . . 0.475 ' CE2' ' CB ' ' A' ' 20' ' ' ASP . 14.3 t80 -70.74 -60.12 2.43 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.19 -0.459 . . . . 13.28 110.525 179.981 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 2.5 m -46.36 -21.51 0.17 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.208 -0.451 . . . . 12.16 110.512 179.936 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 18' ' ' LEU . . . . . 0.405 ' N ' ' C ' ' A' ' 16' ' ' PHE . 1.7 mm? -70.86 -46.19 63.09 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.094 -0.503 . . . . 17.89 110.521 179.973 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 65.1 m-85 -90.01 -50.28 6.11 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.217 -0.447 . . . . 9.14 110.535 179.9 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 20' ' ' ASP . . . . . 0.507 ' OD2' ' CD1' ' A' ' 27' ' ' ILE . 6.1 t70 -69.03 68.46 0.17 Allowed 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.221 -0.445 . . . . 7.47 110.566 -179.966 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 3.8 tttm -75.14 -19.58 59.82 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.17 -0.468 . . . . 27.75 110.617 -179.946 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 2.8 m-20 -85.32 -15.23 44.02 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.285 -0.416 . . . . 14.13 110.648 -179.937 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 55.64 34.76 60.88 Favored Glycine 0 CA--C 1.524 0.648 0 N-CA-C 110.939 -0.864 . . . . 11.51 110.939 179.976 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -82.54 -25.8 33.04 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.756 0.312 . . . . 14.28 110.599 -179.986 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 105.18 -4.97 41.41 Favored Glycine 0 CA--C 1.523 0.59 0 N-CA-C 110.92 -0.872 . . . . 9.47 110.92 -179.974 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 26' ' ' THR . . . . . 0.561 HG22 ' O ' ' A' ' 63' ' ' ILE . 0.2 OUTLIER -141.79 152.55 43.84 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.755 0.312 . . . . 16.41 110.52 -179.965 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 27' ' ' ILE . . . . . 0.507 ' CD1' ' OD2' ' A' ' 20' ' ' ASP . 4.6 mm -120.24 127.71 75.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.239 -0.437 . . . . 8.03 110.547 -179.942 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 28' ' ' THR . . . . . 0.412 ' OG1' ' N ' ' A' ' 29' ' ' THR . 0.1 OUTLIER -111.05 171.21 7.6 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.168 -0.469 . . . . 7.8 110.556 179.944 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 29' ' ' THR . . . . . 0.414 HG22 ' H ' ' A' ' 29' ' ' THR . 0.5 OUTLIER -67.59 -16.2 64.05 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.241 -0.436 . . . . 10.04 110.577 179.985 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -77.11 -38.28 52.49 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.168 -0.469 . . . . 16.38 110.595 -179.976 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 51.9 mt-10 -81.33 -31.59 33.41 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.21 -0.45 . . . . 5.59 110.533 180.0 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 32' ' ' LEU . . . . . 0.533 HD13 ' O ' ' A' ' 32' ' ' LEU . 0.2 OUTLIER -63.87 -59.82 4.05 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.149 -0.478 . . . . 7.72 110.545 179.978 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -45.42 -49.74 10.82 Favored Glycine 0 CA--C 1.525 0.673 0 N-CA-C 110.894 -0.882 . . . . 6.93 110.894 179.982 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -46.41 -41.46 13.74 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.8 0.333 . . . . 9.63 110.537 -179.983 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 89.2 t -60.75 -46.15 96.54 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.199 -0.455 . . . . 7.07 110.481 179.98 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 36' ' ' MET . . . . . . . . . . . . . 21.9 mmt -60.64 -30.88 70.14 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.225 -0.443 . . . . 10.12 110.553 179.929 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 1.2 tpt85 -62.78 -24.02 67.52 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.157 -0.474 . . . . 9.87 110.501 179.978 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 1.3 m -82.09 -23.44 35.74 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.166 -0.47 . . . . 8.15 110.484 179.957 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 9.7 mt -91.8 14.69 14.69 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.207 -0.451 . . . . 12.78 110.516 179.953 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 64.39 26.95 71.05 Favored Glycine 0 CA--C 1.525 0.664 0 N-CA-C 110.916 -0.874 . . . . 9.6 110.916 179.982 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 26.3 mt-30 -101.45 155.27 18.16 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.824 0.345 . . . . 20.35 110.587 -179.968 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 5.0 m-20 -127.71 81.21 70.66 Favored Pre-proline 0 C--N 1.329 -0.315 0 CA-C-N 116.208 -0.451 . . . . 10.22 110.5 -179.993 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 59.5 Cg_endo -77.93 144.41 21.53 Favored 'Trans proline' 0 C--N 1.306 -1.665 0 C-N-CA 122.76 2.307 . . . . 8.63 112.245 -179.912 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 44' ' ' THR . . . . . 0.411 ' O ' ' N ' ' A' ' 47' ' ' GLU . 16.5 p -94.1 151.34 19.57 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.125 -0.489 . . . . 4.83 110.586 179.996 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 13.3 tt0 -46.65 -48.77 19.92 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.23 -0.441 . . . . 16.78 110.547 179.997 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -58.7 -18.96 35.63 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.199 -0.455 . . . . 4.8 110.531 179.972 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 47' ' ' GLU . . . . . 0.411 ' N ' ' O ' ' A' ' 44' ' ' THR . 0.3 OUTLIER -82.51 -57.27 3.42 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.211 -0.449 . . . . 6.18 110.554 179.997 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 17.9 mt -58.01 -54.94 41.32 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.177 -0.465 . . . . 6.65 110.564 179.973 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 35.2 tt0 -50.14 -44.38 52.4 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.222 -0.445 . . . . 7.05 110.557 179.981 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 12.6 t0 -74.27 -31.23 62.46 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.243 -0.435 . . . . 6.72 110.557 -179.997 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 51' ' ' MET . . . . . . . . . . . . . 13.8 tpt -66.65 -46.82 74.49 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.201 -0.454 . . . . 13.6 110.482 -179.993 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 52' ' ' ILE . . . . . 0.449 ' HA ' HD13 ' A' ' 52' ' ' ILE . 38.5 mm -50.63 -48.18 27.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.195 -0.457 . . . . 8.71 110.523 179.997 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 2.9 t30 -50.54 -46.35 57.38 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.236 -0.438 . . . . 9.04 110.598 179.999 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 1.3 tt0 -51.2 -30.02 15.83 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.226 -0.443 . . . . 23.58 110.539 -179.919 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 55' ' ' VAL . . . . . 0.588 HG22 ' HG3' ' A' ' 71' ' ' MET . 59.7 t -95.0 -19.09 6.53 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.216 -0.447 . . . . 7.6 110.557 179.991 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 56' ' ' ASP . . . . . 0.568 ' OD1' ' O ' ' A' ' 62' ' ' THR . 0.5 OUTLIER -99.49 111.94 24.22 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.196 -0.456 . . . . 12.55 110.565 -179.986 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -80.97 -23.06 39.05 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.214 -0.448 . . . . 15.13 110.562 179.995 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 58' ' ' ASP . . . . . 0.611 ' N ' ' OD1' ' A' ' 58' ' ' ASP . 0.6 OUTLIER -94.82 -10.38 31.57 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.183 -0.462 . . . . 14.32 110.611 179.966 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 55.62 45.02 86.11 Favored Glycine 0 CA--C 1.525 0.661 0 N-CA-C 110.892 -0.883 . . . . 13.64 110.892 179.95 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 60' ' ' ASP . . . . . 0.564 ' OD1' ' OD1' ' A' ' 58' ' ' ASP . 1.9 p-10 -88.17 -25.5 22.9 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.886 0.375 . . . . 13.27 110.603 179.946 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 105.63 18.95 10.89 Favored Glycine 0 CA--C 1.525 0.668 0 N-CA-C 110.912 -0.875 . . . . 11.65 110.912 179.983 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 62' ' ' THR . . . . . 0.568 ' O ' ' OD1' ' A' ' 56' ' ' ASP . 0.7 OUTLIER -148.89 153.75 38.47 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.774 0.321 . . . . 11.55 110.584 179.996 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 63' ' ' ILE . . . . . 0.561 ' O ' HG22 ' A' ' 26' ' ' THR . 94.6 mt -120.84 125.69 74.35 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.224 -0.444 . . . . 10.06 110.607 -179.993 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 64' ' ' ASP . . . . . 0.637 ' OD2' ' N ' ' A' ' 64' ' ' ASP . 0.0 OUTLIER -94.3 -176.05 3.84 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.214 -0.448 . . . . 11.33 110.5 -179.999 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 65' ' ' PHE . . . . . 0.52 ' N ' ' HD2' ' A' ' 66' ' ' PRO . 1.4 t80 -70.25 -56.83 6.48 Favored Pre-proline 0 C--N 1.33 -0.269 0 CA-C-N 116.225 -0.443 . . . . 7.4 110.943 179.997 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 66' ' ' PRO . . . . . 0.52 ' HD2' ' N ' ' A' ' 65' ' ' PHE . 12.3 Cg_endo -57.5 -53.35 4.75 Favored 'Trans proline' 0 N--CA 1.493 1.497 0 C-N-CA 122.213 1.942 . . . . 6.66 111.971 179.65 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 67' ' ' GLU . . . . . 0.574 ' OE2' ' OD1' ' A' ' 64' ' ' ASP . 68.4 mt-10 -55.59 -17.74 6.19 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.218 -0.446 . . . . 7.44 110.404 179.858 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 68' ' ' PHE . . . . . . . . . . . . . 36.4 t80 -81.45 -25.29 36.23 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.123 -0.49 . . . . 8.58 110.529 179.96 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 69' ' ' LEU . . . . . 0.799 HD21 ' HB3' ' A' ' 12' ' ' PHE . 5.6 mt -83.26 -45.73 13.48 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.244 -0.435 . . . . 9.43 110.362 179.699 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 70' ' ' THR . . . . . 0.596 ' CG2' ' N ' ' A' ' 71' ' ' MET . 2.4 t -56.34 -47.51 78.64 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.12 -0.491 . . . . 7.53 110.543 179.976 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 71' ' ' MET . . . . . 0.626 ' C ' ' SD ' ' A' ' 71' ' ' MET . 0.8 OUTLIER -49.62 -46.75 49.7 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.173 -0.467 . . . . 11.86 110.491 179.864 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 72' ' ' MET . . . . . 0.572 ' N ' ' SD ' ' A' ' 71' ' ' MET . 0.0 OUTLIER -78.0 -49.84 13.29 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.213 -0.448 . . . . 22.32 110.518 -179.976 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -56.87 -54.64 44.15 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.263 -0.426 . . . . 9.15 110.529 179.97 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 74' ' ' ARG . . . . . 0.533 ' O ' ' N ' ' A' ' 77' ' ' LYS . 35.8 mmt-85 -45.49 -44.21 12.28 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.162 -0.472 . . . . 13.8 110.48 -179.985 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -45.17 -43.58 10.12 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.249 -0.432 . . . . 25.18 110.517 179.965 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 76' ' ' MET . . . . . . . . . . . . . 85.8 mtp -76.57 -11.75 59.91 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.16 -0.473 . . . . 34.79 110.544 -179.985 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 77' ' ' LYS . . . . . 0.533 ' N ' ' O ' ' A' ' 74' ' ' ARG . 23.3 tttm -102.22 39.93 1.42 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.211 -0.45 . . . . 37.65 110.631 -179.997 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 78' ' ' ASP . . . . . 0.408 ' C ' ' OD1' ' A' ' 78' ' ' ASP . 18.9 p30 -174.7 -168.07 0.34 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.182 -0.463 . . . . 42.58 110.541 179.955 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 7.5 t -73.25 164.53 26.54 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.213 -0.448 . . . . 38.4 110.52 -179.978 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 3.9 m-20 -130.58 152.09 50.33 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.19 -0.459 . . . . 37.51 110.579 -179.99 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 1.5 m -103.79 137.76 41.35 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.196 -0.456 . . . . 33.12 110.565 179.989 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 82' ' ' GLU . . . . . 0.461 ' O ' ' CG1' ' A' ' 85' ' ' ILE . 16.6 mt-10 -80.95 -15.25 56.76 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.226 -0.443 . . . . 34.28 110.536 -179.982 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -69.45 -35.65 75.86 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.26 -0.427 . . . . 30.91 110.56 -179.951 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 15.6 tm-20 -64.5 -60.42 3.16 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.241 -0.436 . . . . 22.86 110.538 -179.996 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 85' ' ' ILE . . . . . 0.461 ' CG1' ' O ' ' A' ' 82' ' ' GLU . 5.5 pt -43.74 -27.69 0.36 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.142 -0.481 . . . . 19.17 110.576 179.964 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 22.1 ttp85 -70.75 -56.23 6.84 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.162 -0.472 . . . . 26.85 110.585 179.971 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 87' ' ' GLU . . . . . 0.646 ' O ' HG23 ' A' ' 91' ' ' VAL . 15.7 mt-10 -59.12 -61.89 2.3 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.221 -0.445 . . . . 16.48 110.611 -179.974 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 88' ' ' ALA . . . . . 0.426 ' O ' ' CD2' ' A' ' 92' ' ' PHE . . . -43.6 -40.98 4.35 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.194 -0.457 . . . . 9.91 110.652 -179.969 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 89' ' ' PHE . . . . . 0.471 ' CE1' HD11 ' A' ' 100' ' ' ILE . 34.5 t80 -70.7 -62.9 1.22 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.188 -0.46 . . . . 8.53 110.546 179.977 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 32.4 ttp180 -51.11 -18.7 0.9 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.23 -0.441 . . . . 17.58 110.588 179.942 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 91' ' ' VAL . . . . . 0.646 HG23 ' O ' ' A' ' 87' ' ' GLU . 37.6 t -74.19 -22.52 18.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.148 -0.478 . . . . 7.82 110.644 179.974 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 92' ' ' PHE . . . . . 0.495 ' CD1' HG11 ' A' ' 108' ' ' VAL . 65.4 m-85 -95.33 -22.84 17.49 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.219 -0.446 . . . . 9.11 110.62 -179.936 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 93' ' ' ASP . . . . . 0.575 ' OD1' ' N ' ' A' ' 99' ' ' TYR . 1.5 m-20 -99.02 68.69 1.71 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.274 -0.421 . . . . 11.11 110.692 -179.812 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -48.68 -18.69 0.28 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.297 -0.41 . . . . 14.57 111.022 -179.719 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . 49.5 m-20 -76.42 -12.48 60.06 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.864 0.364 . . . . 10.2 110.614 -179.862 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 60.45 25.67 63.26 Favored Glycine 0 CA--C 1.525 0.703 0 N-CA-C 110.955 -0.858 . . . . 6.24 110.955 -179.89 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 97' ' ' ASN . . . . . 0.677 ' O ' ' CD2' ' A' ' 99' ' ' TYR . 45.4 p-10 -95.58 -3.87 45.62 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.879 0.371 . . . . 7.56 110.326 179.812 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . 67.51 29.29 73.91 Favored Glycine 0 CA--C 1.525 0.679 0 N-CA-C 110.972 -0.851 . . . . 7.08 110.972 179.931 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 99' ' ' TYR . . . . . 0.677 ' CD2' ' O ' ' A' ' 97' ' ' ASN . 67.1 m-85 -148.36 135.01 19.82 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.778 0.323 . . . . 9.0 110.559 179.882 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 100' ' ' ILE . . . . . 0.471 HD11 ' CE1' ' A' ' 89' ' ' PHE . 0.0 OUTLIER -122.23 117.35 51.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.268 -0.423 . . . . 9.29 110.494 179.987 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 101' ' ' SER . . . . . 0.491 ' O ' ' N ' ' A' ' 103' ' ' ALA . 1.4 t -89.41 151.7 21.89 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.278 -0.419 . . . . 7.02 110.585 179.889 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -43.66 -19.41 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.255 -0.43 . . . . 6.41 110.641 -179.949 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 103' ' ' ALA . . . . . 0.491 ' N ' ' O ' ' A' ' 101' ' ' SER . . . -81.75 -39.49 24.09 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.19 -0.459 . . . . 5.01 110.577 -179.944 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 104' ' ' GLU . . . . . 0.448 ' N ' ' O ' ' A' ' 101' ' ' SER . 26.7 mt-10 -75.14 -55.02 6.15 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.223 -0.444 . . . . 6.84 110.654 -179.975 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 105' ' ' LEU . . . . . 0.409 ' O ' HD23 ' A' ' 105' ' ' LEU . 0.9 OUTLIER -47.76 -48.24 30.11 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.245 -0.434 . . . . 4.99 110.584 -179.922 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 106' ' ' ARG . . . . . 0.517 ' O ' ' OG1' ' A' ' 110' ' ' THR . 12.3 ttp180 -67.01 -19.96 65.79 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.184 -0.462 . . . . 15.24 110.592 179.996 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 107' ' ' HIS . . . . . . . . . . . . . 8.3 t-80 -74.61 -40.85 61.3 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.265 -0.425 . . . . 15.69 110.653 -179.947 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 108' ' ' VAL . . . . . 0.495 HG11 ' CD1' ' A' ' 92' ' ' PHE . 25.7 t -78.91 -62.61 1.33 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.25 -0.432 . . . . 12.28 110.586 -179.945 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 109' ' ' MET . . . . . 0.44 ' HA ' HD23 ' A' ' 112' ' ' LEU . 1.8 tpt -49.73 -16.14 0.22 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.216 -0.447 . . . . 9.53 110.645 -179.885 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 110' ' ' THR . . . . . 0.517 ' OG1' ' O ' ' A' ' 106' ' ' ARG . 1.4 m -79.55 -44.94 20.17 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.285 -0.416 . . . . 11.87 110.711 -179.874 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 111' ' ' ASN . . . . . 0.504 ' OD1' ' O ' ' A' ' 111' ' ' ASN . 60.6 t-20 -62.67 -13.88 37.26 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.333 -0.394 . . . . 21.65 110.759 -179.784 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 112' ' ' LEU . . . . . 0.44 HD23 ' HA ' ' A' ' 109' ' ' MET . 3.8 mm? -50.03 -32.55 15.66 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.319 -0.401 . . . . 19.55 110.595 -179.973 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . 115.01 7.0 18.03 Favored Glycine 0 CA--C 1.525 0.697 0 N-CA-C 110.918 -0.873 . . . . 19.66 110.918 -179.982 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 7.9 tt0 -124.61 132.78 53.41 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.662 0.268 . . . . 25.55 110.366 179.794 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 13.9 tttp -82.23 114.1 20.5 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.405 -0.362 . . . . 23.26 110.548 179.974 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 116' ' ' LEU . . . . . . . . . . . . . 1.5 mt -107.02 156.17 19.03 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.251 -0.431 . . . . 23.07 110.6 179.993 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 117' ' ' THR . . . . . . . . . . . . . 11.6 p -78.78 148.71 32.84 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.179 -0.464 . . . . 19.41 110.586 179.975 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 118' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -77.39 -37.36 52.16 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.225 -0.443 . . . . 18.08 110.589 -179.953 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 119' ' ' GLU . . . . . . . . . . . . . 18.2 pt-20 -61.04 -28.73 69.27 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.196 -0.456 . . . . 20.16 110.572 -179.958 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 120' ' ' GLU . . . . . 0.442 ' HG2' ' SD ' ' A' ' 124' ' ' MET . 33.6 tt0 -83.38 -40.17 19.73 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.171 -0.468 . . . . 14.19 110.578 -179.953 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 121' ' ' VAL . . . . . 0.439 HG11 ' HB2' ' A' ' 106' ' ' ARG . 69.2 t -68.99 -29.0 41.76 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.174 -0.466 . . . . 14.97 110.588 -179.964 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 122' ' ' ASP . . . . . . . . . . . . . 1.5 m-20 -83.06 -54.57 4.95 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.251 -0.431 . . . . 20.12 110.629 179.981 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 123' ' ' GLU . . . . . . . . . . . . . 16.2 tt0 -54.87 -45.12 74.57 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.201 -0.454 . . . . 15.72 110.635 179.985 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 124' ' ' MET . . . . . 0.442 ' SD ' ' HG2' ' A' ' 120' ' ' GLU . 12.1 mtp -57.19 -62.05 2.03 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.163 -0.471 . . . . 9.75 110.603 -179.941 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 125' ' ' ILE . . . . . 0.571 ' O ' ' OD2' ' A' ' 129' ' ' ASP . 65.2 mt -54.61 -41.77 57.02 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.19 -0.459 . . . . 11.99 110.582 179.996 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 126' ' ' ARG . . . . . 0.45 ' HB2' ' NH2' ' A' ' 126' ' ' ARG . 0.0 OUTLIER -66.17 -19.31 65.79 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.192 -0.458 . . . . 27.23 110.579 179.958 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 127' ' ' GLU . . . . . . . . . . . . . 9.2 tp10 -77.81 -55.77 5.05 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.242 -0.436 . . . . 15.5 110.642 -179.91 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 128' ' ' ALA . . . . . . . . . . . . . . . -73.51 -13.85 61.12 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.232 -0.44 . . . . 10.5 110.653 -179.879 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 129' ' ' ASP . . . . . 0.571 ' OD2' ' O ' ' A' ' 125' ' ' ILE . 11.7 m-20 -70.57 92.8 0.86 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.248 -0.433 . . . . 10.86 110.587 -179.968 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 130' ' ' ILE . . . . . 0.525 ' N ' ' OE1' ' A' ' 140' ' ' GLU . 51.6 mt -48.7 -40.01 11.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.14 -0.482 . . . . 12.26 110.573 -179.959 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 131' ' ' ASP . . . . . . . . . . . . . 2.0 m-20 -85.53 -17.75 35.46 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.193 -0.458 . . . . 7.79 110.508 179.963 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 132' ' ' GLY . . . . . . . . . . . . . . . 55.2 43.27 83.89 Favored Glycine 0 CA--C 1.525 0.669 0 N-CA-C 110.916 -0.874 . . . . 3.93 110.916 179.956 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 133' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -96.35 0.69 51.03 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.844 0.354 . . . . 9.56 110.598 179.987 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 134' ' ' GLY . . . . . . . . . . . . . . . 90.21 4.07 71.86 Favored Glycine 0 CA--C 1.525 0.683 0 N-CA-C 110.929 -0.868 . . . . 7.32 110.929 179.996 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 135' ' ' GLN . . . . . . . . . . . . . 4.3 mt-30 -135.86 155.17 50.73 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.796 0.332 . . . . 22.05 110.552 -179.953 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 136' ' ' VAL . . . . . 0.445 HG22 ' OD2' ' A' ' 129' ' ' ASP . 47.1 t -110.16 141.96 23.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.162 -0.472 . . . . 10.34 110.57 -179.991 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 137' ' ' ASN . . . . . 0.414 ' H ' ' HG3' ' A' ' 140' ' ' GLU . 3.5 m120 -109.35 159.67 16.8 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.164 -0.471 . . . . 12.02 110.361 179.719 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 138' ' ' TYR . . . . . . . . . . . . . 15.9 t80 -55.22 -25.37 32.68 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.356 -0.384 . . . . 8.75 110.56 179.98 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 139' ' ' GLU . . . . . . . . . . . . . 25.6 tt0 -70.66 -37.97 73.75 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.155 -0.475 . . . . 22.33 110.617 179.931 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 140' ' ' GLU . . . . . 0.525 ' OE1' ' N ' ' A' ' 130' ' ' ILE . 7.2 mt-10 -63.62 -41.66 98.26 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.197 -0.456 . . . . 13.45 110.527 179.962 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 141' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER -50.12 -46.73 54.04 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.157 -0.474 . . . . 8.25 110.502 -179.986 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 142' ' ' VAL . . . . . 0.411 ' O ' ' N ' ' A' ' 145' ' ' MET . 75.2 t -67.5 -44.04 86.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.161 -0.472 . . . . 10.15 110.573 179.949 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 143' ' ' GLN . . . . . 0.426 ' O ' ' OG1' ' A' ' 146' ' ' THR . 51.2 mm-40 -43.43 -56.77 3.41 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.172 -0.467 . . . . 8.24 110.568 179.962 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 144' ' ' MET . . . . . . . . . . . . . 0.4 OUTLIER -54.24 -29.93 48.42 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.193 -0.458 . . . . 6.68 110.505 179.975 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 145' ' ' MET . . . . . 0.411 ' N ' ' O ' ' A' ' 142' ' ' VAL . 0.0 OUTLIER -64.9 -2.86 2.87 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.154 -0.476 . . . . 13.37 110.543 -179.991 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 146' ' ' THR . . . . . 0.426 ' OG1' ' O ' ' A' ' 143' ' ' GLN . 62.8 p -109.37 -14.36 14.45 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.157 -0.474 . . . . 10.78 110.515 -179.986 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 147' ' ' ALA . . . . . . . . . . . . . . . -69.12 127.73 34.14 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.211 -0.45 . . . . 18.52 110.579 -179.967 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 148' ' ' LYS . . . . . . . . . . . . . 39.1 tttt . . . . . 0 C--O 1.22 -0.465 0 CA-C-O 117.962 -1.018 . . . . 23.42 110.545 -179.982 . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 401' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 402' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 403' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 404' ' ' ' TB' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 36.1 tt0 . . . . . 0 C--O 1.231 0.107 0 CA-C-O 120.81 0.338 . . . . 23.46 110.566 . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 4' ' ' LEU . . . . . 0.516 ' O ' HD11 ' A' ' 9' ' ' ILE . 2.9 tp -77.73 126.97 31.69 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.191 -0.458 . . . . 14.38 110.566 179.982 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 57.2 p -69.88 151.11 46.06 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.205 -0.452 . . . . 7.34 110.543 -179.976 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 3.9 mm-40 -54.5 -51.18 65.9 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.19 -0.459 . . . . 7.12 110.527 -179.973 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 51.5 mt-10 -47.65 -41.97 23.47 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.186 -0.461 . . . . 6.85 110.569 179.99 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 2.1 tt0 -76.75 -43.18 38.13 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.23 -0.441 . . . . 15.1 110.594 179.938 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 9' ' ' ILE . . . . . 0.516 HD11 ' O ' ' A' ' 4' ' ' LEU . 88.3 mt -60.48 -28.92 43.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.19 -0.459 . . . . 4.72 110.533 -179.992 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -73.75 -59.49 2.69 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.21 -0.45 . . . . 6.68 110.564 -179.989 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 60.3 mt-10 -49.18 -31.96 9.4 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.197 -0.456 . . . . 18.49 110.589 179.996 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 2.1 m-85 -62.58 -50.05 72.84 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.2 -0.455 . . . . 14.89 110.548 179.983 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 6.5 tttt -47.59 -31.87 4.9 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.169 -0.469 . . . . 18.39 110.526 -179.98 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 15.5 tt0 -61.15 -56.1 24.68 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.221 -0.445 . . . . 22.76 110.528 179.998 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -45.57 -35.46 3.97 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.202 -0.454 . . . . 5.67 110.503 -179.984 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 16' ' ' PHE . . . . . 0.453 ' CE2' ' CB ' ' A' ' 20' ' ' ASP . 10.8 t80 -59.7 -60.12 4.35 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.167 -0.469 . . . . 13.28 110.497 179.999 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -48.93 -21.53 0.68 Allowed 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.178 -0.465 . . . . 12.16 110.534 179.978 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -78.55 -37.32 43.05 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.148 -0.478 . . . . 17.89 110.497 179.985 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 9.2 m-85 -90.01 -50.2 6.15 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.257 -0.429 . . . . 9.14 110.556 179.986 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 20' ' ' ASP . . . . . 0.46 ' OD2' ' O ' ' A' ' 26' ' ' THR . 15.7 t70 -85.38 83.24 8.02 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.22 -0.445 . . . . 7.47 110.507 179.971 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 17.1 pttt -75.14 -19.67 59.77 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.188 -0.46 . . . . 27.75 110.69 -179.983 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 22' ' ' ASP . . . . . 0.513 ' OD2' ' OE1' ' A' ' 31' ' ' GLU . 29.2 m-20 -73.04 -15.34 61.52 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.213 -0.449 . . . . 14.13 110.616 -179.943 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 59.58 27.98 64.49 Favored Glycine 0 CA--C 1.525 0.663 0 N-CA-C 110.981 -0.847 . . . . 11.51 110.981 -179.907 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 4.0 m-20 -80.87 -29.52 35.72 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.775 0.322 . . . . 14.28 110.613 -179.962 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 105.17 7.91 37.02 Favored Glycine 0 CA--C 1.525 0.703 0 N-CA-C 110.874 -0.891 . . . . 9.47 110.874 -179.995 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 26' ' ' THR . . . . . 0.46 ' O ' ' OD2' ' A' ' 20' ' ' ASP . 72.9 p -148.04 142.08 25.96 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.814 0.34 . . . . 16.41 110.554 179.958 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 43.6 mt -102.97 123.43 56.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.206 -0.452 . . . . 8.03 110.612 179.952 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 28' ' ' THR . . . . . 0.488 HG23 ' H ' ' A' ' 31' ' ' GLU . 0.6 OUTLIER -105.86 169.11 8.67 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.213 -0.448 . . . . 7.8 110.586 -179.982 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 29' ' ' THR . . . . . 0.424 HG23 HG13 ' A' ' 52' ' ' ILE . 6.5 m -70.65 -16.15 62.79 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.164 -0.471 . . . . 10.04 110.571 179.975 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 26.3 mmtt -80.62 -34.28 35.15 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.182 -0.463 . . . . 16.38 110.575 -179.993 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 31' ' ' GLU . . . . . 0.513 ' OE1' ' OD2' ' A' ' 22' ' ' ASP . 3.7 tt0 -85.18 -28.25 25.59 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.205 -0.452 . . . . 5.59 110.54 179.992 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 7.6 tp -64.11 -59.81 4.0 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.111 -0.495 . . . . 7.72 110.547 179.98 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -50.19 -46.58 43.06 Favored Glycine 0 CA--C 1.525 0.663 0 N-CA-C 110.867 -0.893 . . . . 6.93 110.867 179.985 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 2.7 m -52.04 -40.87 61.76 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.808 0.337 . . . . 9.63 110.544 179.928 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 48.0 t -63.7 -48.62 85.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.217 -0.447 . . . . 7.07 110.511 179.99 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 36' ' ' MET . . . . . . . . . . . . . 4.1 mtt -64.38 -27.77 69.23 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.186 -0.461 . . . . 10.12 110.501 179.985 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 1.3 mtp180 -62.9 -27.48 69.4 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.214 -0.448 . . . . 9.87 110.52 179.925 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 1.7 t -80.31 -18.71 48.41 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.169 -0.469 . . . . 8.15 110.418 179.981 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 39' ' ' LEU . . . . . 0.421 ' N ' HD12 ' A' ' 39' ' ' LEU . 8.8 mp -93.12 15.13 15.94 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.166 -0.47 . . . . 12.78 110.504 179.924 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 66.71 28.48 73.78 Favored Glycine 0 CA--C 1.525 0.66 0 N-CA-C 110.923 -0.871 . . . . 9.6 110.923 179.981 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 37.1 mt-30 -104.38 150.53 24.42 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.811 0.339 . . . . 20.35 110.54 -179.952 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 90.7 m-20 -140.06 80.07 21.09 Favored Pre-proline 0 C--N 1.329 -0.289 0 CA-C-N 116.184 -0.462 . . . . 10.22 110.516 179.942 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 43' ' ' PRO . . . . . 0.487 ' CG ' HD13 ' A' ' 48' ' ' LEU . 60.2 Cg_endo -78.05 159.9 30.29 Favored 'Trans proline' 0 C--N 1.307 -1.655 0 C-N-CA 122.792 2.328 . . . . 8.63 112.23 -179.985 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 44' ' ' THR . . . . . 0.474 HG22 ' H ' ' A' ' 46' ' ' ALA . 63.4 m -94.22 147.34 23.28 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.174 -0.467 . . . . 4.83 110.519 179.962 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 45' ' ' GLU . . . . . 0.401 ' CD ' ' H ' ' A' ' 45' ' ' GLU . 9.5 mp0 -46.17 -20.91 0.12 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.246 -0.434 . . . . 16.78 110.535 -179.99 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 46' ' ' ALA . . . . . 0.474 ' H ' HG22 ' A' ' 44' ' ' THR . . . -83.64 -40.58 18.81 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.167 -0.469 . . . . 4.8 110.589 179.98 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 27.0 mm-40 -69.24 -60.78 2.12 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.228 -0.442 . . . . 6.18 110.608 179.999 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 48' ' ' LEU . . . . . 0.487 HD13 ' CG ' ' A' ' 43' ' ' PRO . 5.8 tp -50.07 -35.62 26.04 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.153 -0.476 . . . . 6.65 110.615 -179.981 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 24.2 tt0 -66.14 -48.04 72.12 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.232 -0.44 . . . . 7.05 110.553 -179.98 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 50' ' ' ASP . . . . . 0.404 ' CG ' ' O ' ' A' ' 46' ' ' ALA . 16.2 m-20 -58.67 -25.95 63.32 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.188 -0.46 . . . . 6.72 110.614 -179.987 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 51' ' ' MET . . . . . . . . . . . . . 4.5 tpt -76.38 -58.91 3.01 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.193 -0.458 . . . . 13.6 110.57 179.999 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 52' ' ' ILE . . . . . 0.424 HG13 HG23 ' A' ' 29' ' ' THR . 3.9 mm -49.02 -43.32 15.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.171 -0.468 . . . . 8.71 110.542 179.983 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 18.6 m120 -49.89 -51.03 43.7 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.231 -0.441 . . . . 9.04 110.52 -179.977 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 3.7 mm-40 -51.21 -27.71 9.62 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.2 -0.455 . . . . 23.58 110.623 -179.922 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 55' ' ' VAL . . . . . 0.877 HG22 ' SD ' ' A' ' 71' ' ' MET . 11.9 t -95.01 -20.52 6.01 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.226 -0.443 . . . . 7.6 110.62 179.951 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 56' ' ' ASP . . . . . 0.567 ' OD1' ' O ' ' A' ' 62' ' ' THR . 0.6 OUTLIER -107.63 87.97 2.63 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.197 -0.456 . . . . 12.55 110.521 -179.972 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -79.07 -28.52 43.14 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.186 -0.461 . . . . 15.13 110.568 179.97 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 5.3 m-20 -85.86 2.3 46.43 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.181 -0.463 . . . . 14.32 110.555 179.992 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 52.46 17.25 4.18 Favored Glycine 0 CA--C 1.525 0.695 0 N-CA-C 110.917 -0.873 . . . . 13.64 110.917 -179.989 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 60' ' ' ASP . . . . . 0.406 ' OD1' ' N ' ' A' ' 60' ' ' ASP . 3.8 p-10 -62.31 -22.39 66.01 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.859 0.362 . . . . 13.27 110.59 -179.992 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 92.78 -1.41 71.35 Favored Glycine 0 CA--C 1.525 0.695 0 N-CA-C 110.963 -0.855 . . . . 11.65 110.963 -179.983 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 62' ' ' THR . . . . . 0.567 ' O ' ' OD1' ' A' ' 56' ' ' ASP . 0.3 OUTLIER -129.26 154.58 46.68 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.837 0.351 . . . . 11.55 110.539 -179.971 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 63' ' ' ILE . . . . . . . . . . . . . 81.7 mt -106.79 141.33 22.27 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.169 -0.469 . . . . 10.06 110.567 179.982 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 64' ' ' ASP . . . . . 0.558 ' OD2' ' N ' ' A' ' 64' ' ' ASP . 0.2 OUTLIER -99.84 172.37 7.28 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.217 -0.447 . . . . 11.33 110.565 179.983 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 65' ' ' PHE . . . . . 0.555 ' CD1' ' C ' ' A' ' 65' ' ' PHE . 0.3 OUTLIER -70.97 -56.71 5.49 Favored Pre-proline 0 C--N 1.328 -0.332 0 CA-C-N 116.264 -0.426 . . . . 7.4 110.84 179.965 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 66' ' ' PRO . . . . . 0.508 ' HD2' ' N ' ' A' ' 65' ' ' PHE . 18.9 Cg_endo -62.28 -40.81 38.13 Favored 'Trans proline' 0 N--CA 1.494 1.52 0 C-N-CA 122.21 1.94 . . . . 6.66 111.933 179.724 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 67' ' ' GLU . . . . . 0.468 ' OE1' ' OD1' ' A' ' 64' ' ' ASP . 38.5 mt-10 -64.17 -14.76 57.34 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.152 -0.476 . . . . 7.44 110.349 179.848 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 68' ' ' PHE . . . . . . . . . . . . . 45.7 t80 -79.58 -25.35 41.57 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.104 -0.498 . . . . 8.58 110.457 179.941 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 69' ' ' LEU . . . . . 0.462 HD12 ' N ' ' A' ' 69' ' ' LEU . 6.6 mp -83.21 -41.29 18.59 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.177 -0.465 . . . . 9.43 110.437 179.704 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 70' ' ' THR . . . . . 0.561 ' CG2' ' N ' ' A' ' 71' ' ' MET . 1.2 t -61.13 -44.38 97.42 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.147 -0.479 . . . . 7.53 110.528 -179.924 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 71' ' ' MET . . . . . 0.877 ' SD ' HG22 ' A' ' 55' ' ' VAL . 0.0 OUTLIER -53.05 -44.92 67.8 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.248 -0.433 . . . . 11.86 110.506 179.919 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 72' ' ' MET . . . . . 0.617 ' SD ' ' C ' ' A' ' 72' ' ' MET . 0.0 OUTLIER -80.67 -47.36 14.15 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.18 -0.464 . . . . 22.32 110.585 179.96 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -57.69 -53.85 53.48 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.187 -0.461 . . . . 9.15 110.595 179.951 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 41.0 ttt180 -45.37 -51.58 11.05 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.2 -0.454 . . . . 13.8 110.536 -179.952 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 75' ' ' LYS . . . . . 0.494 ' O ' ' OD1' ' A' ' 78' ' ' ASP . 19.8 mmtt -43.91 -36.84 2.58 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.202 -0.454 . . . . 25.18 110.549 179.975 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 76' ' ' MET . . . . . 0.483 ' C ' ' H ' ' A' ' 78' ' ' ASP . 11.7 mtt -83.89 -35.48 24.08 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.211 -0.449 . . . . 34.79 110.585 -179.986 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 13.4 tptt -70.94 39.73 0.06 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.177 -0.465 . . . . 37.65 110.54 -179.975 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 78' ' ' ASP . . . . . 0.494 ' OD1' ' O ' ' A' ' 75' ' ' LYS . 19.0 p30 -176.15 -160.32 0.07 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.238 -0.437 . . . . 42.58 110.608 179.983 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 6.5 p -78.04 155.68 30.52 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.2 -0.454 . . . . 38.4 110.525 -179.992 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 3.3 p-10 -112.71 150.17 31.9 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.194 -0.457 . . . . 37.51 110.573 -179.996 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 50.9 m -109.25 138.03 46.23 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.254 -0.43 . . . . 33.12 110.548 -179.978 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 51.4 mt-10 -84.82 -10.42 57.19 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.201 -0.454 . . . . 34.28 110.568 -179.976 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 83' ' ' GLU . . . . . 0.419 ' HG3' ' H ' ' A' ' 84' ' ' GLU . 0.3 OUTLIER -63.95 -39.92 95.25 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.177 -0.465 . . . . 30.91 110.654 -179.96 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 84' ' ' GLU . . . . . 0.419 ' H ' ' HG3' ' A' ' 83' ' ' GLU . 0.0 OUTLIER -83.0 -52.45 6.66 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.23 -0.441 . . . . 22.86 110.588 179.962 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 85' ' ' ILE . . . . . . . . . . . . . 13.4 mt -48.07 -20.35 0.42 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.14 -0.482 . . . . 19.17 110.534 -179.96 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 32.2 ttp180 -81.2 -55.25 4.87 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.205 -0.452 . . . . 26.85 110.542 -179.99 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 20.0 mt-10 -61.72 -47.43 85.27 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.223 -0.444 . . . . 16.48 110.571 -179.973 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -59.56 -33.37 71.33 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.191 -0.458 . . . . 9.91 110.597 -179.97 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 89' ' ' PHE . . . . . 0.417 ' O ' ' CD2' ' A' ' 89' ' ' PHE . 35.4 t80 -68.76 -26.3 65.16 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.208 -0.451 . . . . 8.53 110.623 -179.97 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 90' ' ' ARG . . . . . 0.443 ' HD3' ' N ' ' A' ' 90' ' ' ARG . 0.0 OUTLIER -76.9 -45.36 28.33 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.219 -0.446 . . . . 17.58 110.567 -179.988 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 91' ' ' VAL . . . . . . . . . . . . . 84.5 t -50.08 -18.29 0.54 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.244 -0.435 . . . . 7.82 110.562 -179.839 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 92' ' ' PHE . . . . . . . . . . . . . 51.6 m-85 -95.34 -42.65 8.41 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.231 -0.44 . . . . 9.11 110.538 179.846 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 93' ' ' ASP . . . . . 0.532 ' CG ' ' O ' ' A' ' 99' ' ' TYR . 21.0 t0 -95.46 69.08 3.02 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.094 -0.503 . . . . 11.11 110.524 179.998 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 7.3 pttt -48.19 -21.43 0.49 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.217 -0.447 . . . . 14.57 111.12 -179.644 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 95' ' ' ASP . . . . . 0.455 ' CG ' ' OD1' ' A' ' 97' ' ' ASN . 22.2 t0 -75.55 -13.33 60.35 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-O 120.817 0.341 . . . . 10.2 110.752 -179.761 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 60.26 22.19 58.02 Favored Glycine 0 CA--C 1.525 0.719 0 N-CA-C 110.998 -0.841 . . . . 6.24 110.998 -179.988 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 97' ' ' ASN . . . . . 0.455 ' OD1' ' CG ' ' A' ' 95' ' ' ASP . 11.6 m120 -82.69 2.65 32.58 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.879 0.371 . . . . 7.56 110.509 179.944 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . 70.83 4.17 53.25 Favored Glycine 0 CA--C 1.524 0.648 0 N-CA-C 110.984 -0.846 . . . . 7.08 110.984 179.947 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 99' ' ' TYR . . . . . 0.633 ' CD1' ' C ' ' A' ' 99' ' ' TYR . 1.5 p90 -139.14 145.89 39.97 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.801 0.334 . . . . 9.0 110.597 -179.958 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 12.9 mt -122.05 124.52 71.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.155 -0.475 . . . . 9.29 110.519 179.905 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 101' ' ' SER . . . . . 0.518 ' O ' ' N ' ' A' ' 103' ' ' ALA . 8.8 t -91.21 151.68 20.84 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.241 -0.436 . . . . 7.02 110.626 -179.927 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -42.6 -19.34 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.135 -0.484 . . . . 6.41 110.604 -179.879 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 103' ' ' ALA . . . . . 0.518 ' N ' ' O ' ' A' ' 101' ' ' SER . . . -77.77 -57.52 3.76 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.237 -0.438 . . . . 5.01 110.564 179.969 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 26.2 mt-10 -56.16 -46.09 79.42 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.178 -0.465 . . . . 6.84 110.643 -179.961 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 105' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -58.21 -47.88 82.09 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.247 -0.433 . . . . 4.99 110.569 179.983 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 106' ' ' ARG . . . . . 0.579 HH21 ' CG ' ' A' ' 118' ' ' ASP . 20.5 ttp180 -69.34 -22.67 63.74 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.184 -0.462 . . . . 15.24 110.498 -179.956 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 107' ' ' HIS . . . . . . . . . . . . . 0.6 OUTLIER -78.43 -43.99 25.9 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.232 -0.44 . . . . 15.69 110.547 179.959 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 108' ' ' VAL . . . . . 0.464 ' O ' HD23 ' A' ' 112' ' ' LEU . 64.2 t -80.42 -44.7 22.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.219 -0.446 . . . . 12.28 110.546 -179.966 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 109' ' ' MET . . . . . . . . . . . . . 2.7 tpt -66.13 -13.76 60.67 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.22 -0.445 . . . . 9.53 110.612 -179.927 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 110' ' ' THR . . . . . 0.519 ' OG1' ' O ' ' A' ' 106' ' ' ARG . 1.5 m -81.54 -39.36 24.76 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.262 -0.426 . . . . 11.87 110.564 179.98 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 111' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -72.36 -13.04 61.38 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.26 -0.427 . . . . 21.65 110.522 179.998 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 112' ' ' LEU . . . . . 0.464 HD23 ' O ' ' A' ' 108' ' ' VAL . 1.6 mm? -50.18 -27.3 5.66 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.221 -0.445 . . . . 19.55 110.588 -179.987 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . 115.29 -0.61 22.33 Favored Glycine 0 CA--C 1.524 0.646 0 N-CA-C 110.856 -0.898 . . . . 19.66 110.856 -179.867 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 114' ' ' GLU . . . . . 0.63 ' O ' HD23 ' A' ' 116' ' ' LEU . 24.5 mm-40 -124.41 128.83 49.64 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.725 0.298 . . . . 25.55 110.392 179.707 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 48.6 tttp -82.57 116.21 21.88 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.408 -0.36 . . . . 23.26 110.662 -179.923 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 116' ' ' LEU . . . . . 0.677 HD23 ' N ' ' A' ' 116' ' ' LEU . 0.1 OUTLIER -102.9 159.07 15.83 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.189 -0.459 . . . . 23.07 110.531 179.993 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 117' ' ' THR . . . . . 0.466 ' O ' HG23 ' A' ' 121' ' ' VAL . 0.4 OUTLIER -85.41 149.41 25.44 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.182 -0.463 . . . . 19.41 110.561 179.985 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 118' ' ' ASP . . . . . 0.579 ' CG ' HH21 ' A' ' 106' ' ' ARG . 72.9 m-20 -75.98 -26.1 56.45 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.239 -0.437 . . . . 18.08 110.537 -179.982 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 119' ' ' GLU . . . . . . . . . . . . . 6.3 mm-40 -70.89 -26.32 63.18 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.191 -0.459 . . . . 20.16 110.513 -179.97 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 120' ' ' GLU . . . . . . . . . . . . . 33.6 tt0 -85.17 -45.98 11.51 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.213 -0.448 . . . . 14.19 110.53 -179.972 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 121' ' ' VAL . . . . . 0.466 HG23 ' O ' ' A' ' 117' ' ' THR . 93.4 t -54.48 -42.88 61.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.244 -0.435 . . . . 14.97 110.579 -179.998 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 122' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -76.37 -44.55 35.82 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.185 -0.461 . . . . 20.12 110.532 -179.998 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 123' ' ' GLU . . . . . 0.507 ' OE2' ' O ' ' A' ' 123' ' ' GLU . 7.1 tp10 -57.33 -47.33 81.83 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.26 -0.427 . . . . 15.72 110.535 -179.983 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 124' ' ' MET . . . . . . . . . . . . . 4.6 ttt -61.92 -54.5 41.06 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.174 -0.466 . . . . 9.75 110.589 179.982 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 125' ' ' ILE . . . . . 0.439 ' C ' ' N ' ' A' ' 127' ' ' GLU . 24.4 mt -62.53 -58.04 9.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.159 -0.473 . . . . 11.99 110.587 179.982 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 126' ' ' ARG . . . . . . . . . . . . . 52.2 ttt-85 -43.54 -22.52 0.05 OUTLIER 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.235 -0.439 . . . . 27.23 110.578 179.987 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 127' ' ' GLU . . . . . 0.439 ' N ' ' C ' ' A' ' 125' ' ' ILE . 16.7 tt0 -89.81 -54.2 4.16 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.215 -0.448 . . . . 15.5 110.571 -179.98 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 128' ' ' ALA . . . . . . . . . . . . . . . -65.42 -25.9 67.73 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.165 -0.47 . . . . 10.5 110.571 -179.983 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 129' ' ' ASP . . . . . 0.636 ' OD1' ' N ' ' A' ' 133' ' ' ASP . 45.4 t0 -72.89 92.71 1.64 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.204 -0.453 . . . . 10.86 110.528 179.97 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 130' ' ' ILE . . . . . 0.449 HD11 ' HG2' ' A' ' 143' ' ' GLN . 18.8 mt -48.54 -35.13 5.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.11 -0.495 . . . . 12.26 110.713 -179.788 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 131' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -88.2 -17.93 29.79 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.316 -0.402 . . . . 7.79 110.652 -179.957 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 132' ' ' GLY . . . . . 0.626 ' N ' ' OD2' ' A' ' 129' ' ' ASP . . . 60.7 39.43 96.64 Favored Glycine 0 CA--C 1.525 0.674 0 N-CA-C 110.826 -0.91 . . . . 3.93 110.826 -179.935 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 133' ' ' ASP . . . . . 0.636 ' N ' ' OD1' ' A' ' 129' ' ' ASP . 0.5 OUTLIER -87.99 -1.82 58.23 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.759 0.314 . . . . 9.56 110.649 -179.888 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 134' ' ' GLY . . . . . . . . . . . . . . . 82.78 5.43 89.41 Favored Glycine 0 CA--C 1.525 0.667 0 N-CA-C 110.902 -0.879 . . . . 7.32 110.902 -179.959 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 135' ' ' GLN . . . . . . . . . . . . . 9.4 mt-30 -136.32 160.62 38.17 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.745 0.307 . . . . 22.05 110.415 179.937 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 136' ' ' VAL . . . . . . . . . . . . . 66.2 t -112.75 135.46 52.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.336 -0.393 . . . . 10.34 110.694 -179.91 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 137' ' ' ASN . . . . . 0.505 ' N ' ' OE1' ' A' ' 140' ' ' GLU . 2.7 m-20 -109.92 159.47 17.22 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.147 -0.479 . . . . 12.02 110.292 179.541 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 138' ' ' TYR . . . . . . . . . . . . . 75.1 t80 -49.6 -28.78 6.13 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.811 0.339 . . . . 8.75 110.496 179.972 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 139' ' ' GLU . . . . . . . . . . . . . 5.0 mt-10 -70.01 -39.99 75.51 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.168 -0.469 . . . . 22.33 110.541 -179.989 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 140' ' ' GLU . . . . . 0.505 ' OE1' ' N ' ' A' ' 137' ' ' ASN . 1.7 mt-10 -61.1 -43.14 99.34 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.247 -0.433 . . . . 13.45 110.498 179.929 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 141' ' ' PHE . . . . . . . . . . . . . 1.2 m-85 -50.74 -60.32 3.17 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.2 -0.455 . . . . 8.25 110.438 179.968 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 142' ' ' VAL . . . . . 0.759 HG12 ' OG1' ' A' ' 146' ' ' THR . 66.0 t -50.76 -36.41 14.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.152 -0.476 . . . . 10.15 110.549 179.985 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 143' ' ' GLN . . . . . 0.449 ' HG2' HD11 ' A' ' 130' ' ' ILE . 14.4 tp60 -47.17 -54.75 9.89 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.176 -0.465 . . . . 8.24 110.435 179.964 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 144' ' ' MET . . . . . . . . . . . . . 2.1 ttt -49.13 -37.89 23.38 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.228 -0.442 . . . . 6.68 110.439 179.993 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 145' ' ' MET . . . . . . . . . . . . . 29.9 mtt -90.34 -18.73 25.01 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.198 -0.455 . . . . 13.37 110.534 179.887 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 146' ' ' THR . . . . . 0.759 ' OG1' HG12 ' A' ' 142' ' ' VAL . 2.3 m -78.12 10.55 2.86 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.164 -0.471 . . . . 10.78 110.596 179.921 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 147' ' ' ALA . . . . . . . . . . . . . . . -91.45 146.42 23.81 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.204 -0.453 . . . . 18.52 110.53 179.982 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 148' ' ' LYS . . . . . . . . . . . . . 30.4 tttt . . . . . 0 C--O 1.22 -0.475 0 CA-C-O 117.957 -1.02 . . . . 23.42 110.595 179.956 . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 401' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 402' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 403' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 404' ' ' ' TB' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 3' ' ' GLN . . . . . 0.604 ' OE1' ' N ' ' A' ' 3' ' ' GLN . 0.0 OUTLIER . . . . . 0 C--O 1.231 0.121 0 CA-C-O 120.754 0.311 . . . . 23.46 110.545 . . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 4' ' ' LEU . . . . . 0.465 HD23 HG13 ' A' ' 9' ' ' ILE . 0.6 OUTLIER -80.58 127.17 32.15 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.216 -0.447 . . . . 14.38 110.537 -179.994 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 71.6 p -68.59 149.77 48.78 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.209 -0.45 . . . . 7.34 110.518 179.999 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 24.6 mm-40 -53.9 -45.45 71.11 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.211 -0.45 . . . . 7.12 110.605 -179.996 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 7' ' ' GLU . . . . . 0.572 ' O ' ' OE1' ' A' ' 7' ' ' GLU . 0.9 OUTLIER -48.22 -38.79 19.31 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.171 -0.468 . . . . 6.85 110.641 -179.995 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 69.4 mt-30 -78.34 -40.96 34.99 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.218 -0.446 . . . . 15.1 110.601 179.992 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 9' ' ' ILE . . . . . 0.465 HG13 HD23 ' A' ' 4' ' ' LEU . 60.2 mt -62.18 -31.51 51.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.181 -0.463 . . . . 4.72 110.583 -179.921 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -68.32 -59.35 3.26 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.212 -0.449 . . . . 6.68 110.557 -179.938 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 45.4 mm-40 -46.14 -38.98 8.87 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.265 -0.425 . . . . 18.49 110.584 -179.925 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 12' ' ' PHE . . . . . 0.426 ' CD2' HD23 ' A' ' 69' ' ' LEU . 1.9 m-85 -57.57 -45.21 85.47 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.224 -0.444 . . . . 14.89 110.608 179.997 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -47.01 -41.62 16.8 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.212 -0.449 . . . . 18.39 110.527 -179.927 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 14' ' ' GLU . . . . . 0.634 ' OE2' HD23 ' A' ' 18' ' ' LEU . 3.7 tm-20 -60.75 -35.76 77.19 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.242 -0.435 . . . . 22.76 110.615 180.0 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -60.66 -51.95 67.21 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.164 -0.471 . . . . 5.67 110.608 179.954 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 16' ' ' PHE . . . . . 0.527 ' CE2' HD11 ' A' ' 27' ' ' ILE . 0.1 OUTLIER -48.87 -60.27 2.89 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.206 -0.452 . . . . 13.28 110.469 -179.971 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 10.9 t -48.24 -23.53 0.91 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.246 -0.433 . . . . 12.16 110.461 179.943 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 18' ' ' LEU . . . . . 0.634 HD23 ' OE2' ' A' ' 14' ' ' GLU . 0.4 OUTLIER -81.35 -33.35 32.49 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.151 -0.477 . . . . 17.89 110.488 180.0 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 25.6 m-85 -90.05 -50.44 6.01 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.257 -0.429 . . . . 9.14 110.599 179.981 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 33.8 t70 -95.88 91.52 6.07 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.232 -0.44 . . . . 7.47 110.602 -179.947 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 24.3 mttp -83.5 -19.54 35.58 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.144 -0.48 . . . . 27.75 110.633 -179.933 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 92.5 m-20 -72.62 -15.39 61.73 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.304 -0.407 . . . . 14.13 110.702 -179.812 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 62.26 31.93 80.9 Favored Glycine 0 CA--C 1.524 0.647 0 N-CA-C 110.903 -0.879 . . . . 11.51 110.903 -179.935 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 52.7 t0 -81.81 -29.39 32.68 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.763 0.316 . . . . 14.28 110.653 -179.976 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 105.09 1.08 41.67 Favored Glycine 0 CA--C 1.525 0.683 0 N-CA-C 110.924 -0.87 . . . . 9.47 110.924 -179.998 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 1.5 p -148.54 136.84 21.18 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.792 0.329 . . . . 16.41 110.559 179.967 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 27' ' ' ILE . . . . . 0.527 HD11 ' CE2' ' A' ' 16' ' ' PHE . 5.6 mt -100.03 130.38 49.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.202 -0.454 . . . . 8.03 110.508 179.989 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 33.5 p -111.36 173.97 6.09 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.188 -0.46 . . . . 7.8 110.6 179.955 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 21.0 p -60.04 -42.08 93.66 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.219 -0.446 . . . . 10.04 110.516 179.979 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 2.9 mtpp -63.79 -34.46 77.95 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.154 -0.475 . . . . 16.38 110.628 -179.939 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 32.0 mt-10 -75.34 -43.66 49.43 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.24 -0.436 . . . . 5.59 110.517 179.977 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 1.4 mt -63.61 -59.4 4.67 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.187 -0.461 . . . . 7.72 110.573 -179.978 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 33' ' ' GLY . . . . . 0.446 ' O ' ' N ' ' A' ' 37' ' ' ARG . . . -44.03 -52.45 6.88 Favored Glycine 0 CA--C 1.525 0.688 0 N-CA-C 110.927 -0.869 . . . . 6.93 110.927 179.988 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 29.3 m -49.23 -42.32 40.2 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.772 0.32 . . . . 9.63 110.488 179.939 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 73.6 t -64.52 -51.52 66.76 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.224 -0.443 . . . . 7.07 110.536 179.954 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 36' ' ' MET . . . . . . . . . . . . . 19.2 mmt -68.97 -24.75 64.29 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.22 -0.446 . . . . 10.12 110.475 179.979 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 37' ' ' ARG . . . . . 0.446 ' N ' ' O ' ' A' ' 33' ' ' GLY . 54.9 ttm-85 -65.32 -31.01 71.92 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.215 -0.448 . . . . 9.87 110.533 179.988 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -82.24 -16.05 50.91 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.186 -0.461 . . . . 8.15 110.528 -180.0 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 7.5 mp -87.78 15.0 7.54 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.19 -0.459 . . . . 12.78 110.576 179.968 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 74.51 20.79 79.46 Favored Glycine 0 CA--C 1.525 0.689 0 N-CA-C 110.924 -0.87 . . . . 9.6 110.924 179.986 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 41' ' ' GLN . . . . . 0.402 ' HG3' ' N ' ' A' ' 42' ' ' ASN . 2.1 tp-100 -102.52 146.11 28.61 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.809 0.337 . . . . 20.35 110.58 -179.975 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 42' ' ' ASN . . . . . 0.402 ' N ' ' HG3' ' A' ' 41' ' ' GLN . 83.8 m-20 -136.72 80.02 38.58 Favored Pre-proline 0 C--N 1.329 -0.286 0 CA-C-N 116.195 -0.457 . . . . 10.22 110.556 179.971 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 43' ' ' PRO . . . . . 0.406 ' CG ' HD13 ' A' ' 48' ' ' LEU . 60.3 Cg_endo -78.1 155.24 29.57 Favored 'Trans proline' 0 C--N 1.306 -1.679 0 C-N-CA 122.809 2.339 . . . . 8.63 112.224 -179.897 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -81.01 168.43 18.69 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.18 -0.464 . . . . 4.83 110.509 179.982 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 62.6 tt0 -62.38 -42.19 99.22 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.176 -0.465 . . . . 16.78 110.567 179.967 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -77.95 -21.88 50.36 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.212 -0.449 . . . . 4.8 110.534 179.98 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 43.4 mt-10 -72.28 -53.03 13.66 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.194 -0.457 . . . . 6.18 110.544 179.993 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 48' ' ' LEU . . . . . 0.441 ' O ' ' N ' ' A' ' 51' ' ' MET . 4.7 tp -68.77 -53.25 22.91 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.21 -0.45 . . . . 6.65 110.578 179.968 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 6.6 tp-100 -47.0 -46.1 21.55 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.144 -0.48 . . . . 7.05 110.546 179.976 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 2.6 t70 -69.82 -18.36 63.45 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.216 -0.447 . . . . 6.72 110.532 179.947 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 51' ' ' MET . . . . . 0.441 ' N ' ' O ' ' A' ' 48' ' ' LEU . 4.7 ttt -68.45 -50.13 54.82 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.164 -0.471 . . . . 13.6 110.554 -179.986 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 1.5 mp -53.94 -46.11 64.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.231 -0.44 . . . . 8.71 110.449 179.975 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 64.3 t30 -43.41 -48.78 7.15 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.26 -0.427 . . . . 9.04 110.482 -179.994 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 70.8 mt-10 -51.21 -49.13 61.64 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.185 -0.461 . . . . 23.58 110.57 179.985 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 55' ' ' VAL . . . . . 0.595 HG22 ' HG3' ' A' ' 71' ' ' MET . 2.4 t -83.75 -4.37 8.42 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.232 -0.44 . . . . 7.6 110.553 -179.98 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 56' ' ' ASP . . . . . 0.558 ' OD1' ' O ' ' A' ' 62' ' ' THR . 1.1 t70 -107.52 96.99 6.79 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.186 -0.461 . . . . 12.55 110.59 179.966 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -83.25 -44.56 14.84 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.217 -0.447 . . . . 15.13 110.533 -179.98 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -78.74 -5.71 53.94 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.209 -0.45 . . . . 14.32 110.547 179.999 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 59' ' ' GLY . . . . . 0.429 ' CA ' ' OD2' ' A' ' 56' ' ' ASP . . . 56.45 49.84 66.53 Favored Glycine 0 CA--C 1.524 0.644 0 N-CA-C 110.963 -0.855 . . . . 13.64 110.963 -179.999 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 60' ' ' ASP . . . . . 0.413 ' N ' ' OD2' ' A' ' 56' ' ' ASP . 20.6 p-10 -87.32 -17.94 31.27 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.815 0.341 . . . . 13.27 110.541 -179.959 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 105.73 -10.09 44.89 Favored Glycine 0 CA--C 1.525 0.661 0 N-CA-C 110.939 -0.864 . . . . 11.65 110.939 -179.983 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 62' ' ' THR . . . . . 0.558 ' O ' ' OD1' ' A' ' 56' ' ' ASP . 1.7 p -138.19 178.61 7.0 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.735 0.302 . . . . 11.55 110.541 -179.966 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 63' ' ' ILE . . . . . 0.457 HD12 ' N ' ' A' ' 63' ' ' ILE . 1.7 mp -111.03 141.36 26.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.217 -0.447 . . . . 10.06 110.666 -179.922 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 64' ' ' ASP . . . . . 0.543 ' O ' ' CB ' ' A' ' 68' ' ' PHE . 21.3 m-20 -116.48 -179.17 3.6 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.107 -0.497 . . . . 11.33 110.451 179.983 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 65' ' ' PHE . . . . . 0.503 ' N ' ' CD ' ' A' ' 66' ' ' PRO . 0.1 OUTLIER -70.27 -50.23 15.82 Favored Pre-proline 0 C--N 1.33 -0.271 0 CA-C-N 116.418 -0.356 . . . . 7.4 110.692 -179.779 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 66' ' ' PRO . . . . . 0.504 ' O ' ' OG1' ' A' ' 70' ' ' THR . 31.4 Cg_exo -55.08 -36.47 92.93 Favored 'Trans proline' 0 C--N 1.306 -1.695 0 C-N-CA 122.628 2.219 . . . . 6.66 111.994 -179.902 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 18.1 mt-10 -91.08 -38.81 12.54 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.227 -0.442 . . . . 7.44 110.545 179.991 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 68' ' ' PHE . . . . . 0.543 ' CB ' ' O ' ' A' ' 64' ' ' ASP . 13.5 t80 -56.19 -38.11 70.51 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.239 -0.437 . . . . 8.58 110.595 -179.995 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 69' ' ' LEU . . . . . 0.426 HD23 ' CD2' ' A' ' 12' ' ' PHE . 0.7 OUTLIER -83.67 -43.38 15.64 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.23 -0.441 . . . . 9.43 110.323 179.517 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 70' ' ' THR . . . . . 0.504 ' OG1' ' O ' ' A' ' 66' ' ' PRO . 88.7 m -62.46 -45.9 90.94 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.095 -0.502 . . . . 7.53 110.508 179.956 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 71' ' ' MET . . . . . 0.651 ' SD ' ' N ' ' A' ' 72' ' ' MET . 1.4 tmt? -48.01 -46.1 32.57 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.158 -0.474 . . . . 11.86 110.446 179.965 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 72' ' ' MET . . . . . 0.651 ' N ' ' SD ' ' A' ' 71' ' ' MET . 6.8 ttt -72.67 -49.95 28.2 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.21 -0.45 . . . . 22.32 110.539 179.959 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -52.86 -56.31 16.73 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.182 -0.463 . . . . 9.15 110.537 179.975 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 12.4 mtp85 -46.16 -35.7 5.3 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.231 -0.44 . . . . 13.8 110.496 179.944 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 40.4 tttm -48.51 -47.42 38.89 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.136 -0.484 . . . . 25.18 110.483 179.932 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 76' ' ' MET . . . . . . . . . . . . . 4.1 mtt -67.72 -12.98 61.69 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.201 -0.454 . . . . 34.79 110.554 -179.988 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 33.7 mttm -112.21 39.81 2.35 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.191 -0.459 . . . . 37.65 110.559 -179.983 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 6.2 m-20 -163.72 167.85 20.49 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.247 -0.433 . . . . 42.58 110.581 -179.994 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 75.7 p -72.54 159.88 33.19 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.195 -0.457 . . . . 38.4 110.556 -179.993 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 14.2 m-20 -130.65 157.87 41.57 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.2 -0.455 . . . . 37.51 110.575 -179.978 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 81' ' ' SER . . . . . 0.451 ' C ' ' H ' ' A' ' 83' ' ' GLU . 10.9 t -114.96 123.04 48.08 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.179 -0.464 . . . . 33.12 110.628 179.951 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 29.6 tt0 -52.43 -10.38 0.14 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.216 -0.447 . . . . 34.28 110.637 -179.966 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 83' ' ' GLU . . . . . 0.451 ' H ' ' C ' ' A' ' 81' ' ' SER . 33.3 tt0 -60.3 -60.44 3.81 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.231 -0.441 . . . . 30.91 110.568 -179.942 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 5.2 tp10 -57.62 -20.92 36.26 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.22 -0.446 . . . . 22.86 110.594 -179.968 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 85' ' ' ILE . . . . . 0.418 ' CD1' ' HE1' ' A' ' 145' ' ' MET . 13.6 mt -83.03 -22.32 8.75 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.237 -0.438 . . . . 19.17 110.605 179.973 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 54.3 ttt85 -81.57 -54.46 5.4 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.268 -0.424 . . . . 26.85 110.616 -179.956 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 1.2 tp10 -59.87 -61.79 2.35 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.224 -0.444 . . . . 16.48 110.581 -179.983 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -46.79 -36.13 6.98 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.207 -0.452 . . . . 9.91 110.576 -179.95 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 89' ' ' PHE . . . . . 0.426 ' C ' ' CD2' ' A' ' 89' ' ' PHE . 27.1 t80 -69.54 -34.16 73.82 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.241 -0.436 . . . . 8.53 110.642 179.997 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 14.1 mtp-105 -73.96 -46.41 44.19 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.233 -0.44 . . . . 17.58 110.61 -179.935 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 91' ' ' VAL . . . . . . . . . . . . . 33.8 t -49.99 -17.3 0.43 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.235 -0.439 . . . . 7.82 110.552 -179.847 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 92' ' ' PHE . . . . . . . . . . . . . 6.2 m-85 -95.41 -42.87 8.27 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.234 -0.439 . . . . 9.11 110.491 179.901 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 93' ' ' ASP . . . . . 0.533 ' CG ' ' O ' ' A' ' 99' ' ' TYR . 43.6 t0 -98.12 69.33 2.02 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.142 -0.481 . . . . 11.11 110.584 180.0 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 2.2 mtmp? -47.28 -18.47 0.11 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.213 -0.449 . . . . 14.57 111.056 -179.721 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 95' ' ' ASP . . . . . 0.484 ' OD1' ' OE1' ' A' ' 104' ' ' GLU . 0.9 OUTLIER -75.09 -11.52 60.11 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.868 0.366 . . . . 10.2 110.72 -179.72 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 60.22 9.64 12.43 Favored Glycine 0 CA--C 1.525 0.671 0 N-CA-C 110.974 -0.85 . . . . 6.24 110.974 179.991 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 97' ' ' ASN . . . . . 0.679 ' O ' ' CE1' ' A' ' 99' ' ' TYR . 30.8 m120 -68.79 2.57 2.46 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.841 0.353 . . . . 7.56 110.439 179.89 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 98' ' ' GLY . . . . . 0.47 ' C ' ' CD2' ' A' ' 99' ' ' TYR . . . 64.95 9.55 40.99 Favored Glycine 0 CA--C 1.525 0.701 0 N-CA-C 110.964 -0.855 . . . . 7.08 110.964 179.962 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 99' ' ' TYR . . . . . 0.679 ' CE1' ' O ' ' A' ' 97' ' ' ASN . 1.3 m-85 -129.11 145.16 51.35 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.815 0.34 . . . . 9.0 110.677 179.998 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 81.0 mt -122.04 108.44 21.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.192 -0.458 . . . . 9.29 110.476 179.946 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 101' ' ' SER . . . . . 0.415 ' HA ' ' CB ' ' A' ' 135' ' ' GLN . 0.4 OUTLIER -90.46 151.63 21.31 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.271 -0.422 . . . . 7.02 110.703 -179.955 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -46.66 -38.74 10.18 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.08 -0.509 . . . . 6.41 110.621 -179.966 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -53.44 -59.98 3.88 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.25 -0.432 . . . . 5.01 110.635 -179.99 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 104' ' ' GLU . . . . . 0.484 ' OE1' ' OD1' ' A' ' 95' ' ' ASP . 14.3 mt-10 -60.84 -51.78 67.88 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.213 -0.449 . . . . 6.84 110.611 -179.971 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 105' ' ' LEU . . . . . 0.537 HD23 HG13 ' A' ' 121' ' ' VAL . 3.3 tp -47.71 -45.69 28.89 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.192 -0.458 . . . . 4.99 110.57 -179.941 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 106' ' ' ARG . . . . . 0.465 ' O ' ' OG1' ' A' ' 110' ' ' THR . 0.6 OUTLIER -70.59 -16.2 62.83 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.204 -0.453 . . . . 15.24 110.543 -179.964 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 107' ' ' HIS . . . . . 0.425 ' N ' ' O ' ' A' ' 104' ' ' GLU . 32.2 t-80 -80.52 -48.44 12.77 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.236 -0.438 . . . . 15.69 110.597 -179.949 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 108' ' ' VAL . . . . . . . . . . . . . 32.9 t -75.78 -26.11 17.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.198 -0.455 . . . . 12.28 110.623 -179.962 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 109' ' ' MET . . . . . . . . . . . . . 4.5 mmt -78.48 -17.81 55.75 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.186 -0.461 . . . . 9.53 110.591 -179.957 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 110' ' ' THR . . . . . 0.465 ' OG1' ' O ' ' A' ' 106' ' ' ARG . 97.5 m -82.34 -40.57 21.22 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.207 -0.452 . . . . 11.87 110.605 -179.933 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 111' ' ' ASN . . . . . . . . . . . . . 48.5 t-20 -76.7 -18.14 58.7 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.269 -0.423 . . . . 21.65 110.497 -179.996 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 112' ' ' LEU . . . . . 0.417 ' HA ' HD22 ' A' ' 112' ' ' LEU . 0.1 OUTLIER -50.1 -26.24 4.27 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.196 -0.456 . . . . 19.55 110.572 179.989 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . 115.09 -2.22 22.61 Favored Glycine 0 CA--C 1.525 0.699 0 N-CA-C 110.864 -0.895 . . . . 19.66 110.864 -179.985 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 114' ' ' GLU . . . . . 0.471 ' OE1' ' N ' ' A' ' 114' ' ' GLU . 4.3 mp0 -124.3 123.48 40.31 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.664 0.269 . . . . 25.55 110.476 179.861 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 1.5 tptp -78.79 115.7 18.65 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.362 -0.381 . . . . 23.26 110.51 -179.91 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 116' ' ' LEU . . . . . 0.6 ' CD2' ' OE1' ' A' ' 120' ' ' GLU . 1.2 mt -109.17 158.83 17.43 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.169 -0.469 . . . . 23.07 110.535 -179.999 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 117' ' ' THR . . . . . . . . . . . . . 30.3 p -89.55 150.29 22.5 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.254 -0.43 . . . . 19.41 110.531 179.994 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 118' ' ' ASP . . . . . . . . . . . . . 49.8 t0 -70.67 -25.78 63.14 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.212 -0.449 . . . . 18.08 110.584 179.967 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 119' ' ' GLU . . . . . 0.51 ' N ' ' CD ' ' A' ' 119' ' ' GLU . 0.2 OUTLIER -68.56 -45.04 73.18 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.185 -0.461 . . . . 20.16 110.575 179.969 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 120' ' ' GLU . . . . . 0.6 ' OE1' ' CD2' ' A' ' 116' ' ' LEU . 65.3 tt0 -67.8 -33.57 75.06 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.213 -0.448 . . . . 14.19 110.524 -179.947 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 121' ' ' VAL . . . . . 0.537 HG13 HD23 ' A' ' 105' ' ' LEU . 68.9 t -75.85 -44.52 38.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.201 -0.454 . . . . 14.97 110.543 -179.999 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 122' ' ' ASP . . . . . . . . . . . . . 35.4 t0 -73.35 -42.59 62.06 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.213 -0.449 . . . . 20.12 110.539 179.999 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 123' ' ' GLU . . . . . 0.403 ' CB ' ' O ' ' A' ' 119' ' ' GLU . 39.0 tt0 -61.41 -35.92 78.89 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.24 -0.436 . . . . 15.72 110.577 179.989 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 124' ' ' MET . . . . . . . . . . . . . 34.8 ttp -66.91 -61.43 1.95 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.175 -0.466 . . . . 9.75 110.52 179.99 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 125' ' ' ILE . . . . . 0.515 ' O ' ' CB ' ' A' ' 129' ' ' ASP . 60.8 mt -56.83 -44.34 81.78 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.23 -0.441 . . . . 11.99 110.573 179.954 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 126' ' ' ARG . . . . . . . . . . . . . 8.9 tpt180 -55.08 -23.13 18.86 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.153 -0.476 . . . . 27.23 110.538 179.973 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 127' ' ' GLU . . . . . . . . . . . . . 20.3 tt0 -88.91 -54.66 4.03 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.193 -0.458 . . . . 15.5 110.536 -179.988 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 128' ' ' ALA . . . . . . . . . . . . . . . -70.86 -21.43 62.42 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.201 -0.454 . . . . 10.5 110.508 179.989 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 129' ' ' ASP . . . . . 0.619 ' OD1' ' N ' ' A' ' 132' ' ' GLY . 50.7 t0 -75.39 92.79 2.84 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.164 -0.471 . . . . 10.86 110.513 179.973 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 130' ' ' ILE . . . . . . . . . . . . . 2.2 mt -48.85 -40.5 12.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.181 -0.463 . . . . 12.26 110.637 -179.914 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 131' ' ' ASP . . . . . 0.425 ' CB ' ' OD2' ' A' ' 133' ' ' ASP . 60.3 m-20 -83.34 -17.96 40.58 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.291 -0.413 . . . . 7.79 110.648 -179.881 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 132' ' ' GLY . . . . . 0.619 ' N ' ' OD1' ' A' ' 129' ' ' ASP . . . 52.81 54.43 28.33 Favored Glycine 0 CA--C 1.524 0.635 0 N-CA-C 110.946 -0.861 . . . . 3.93 110.946 -179.928 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 133' ' ' ASP . . . . . 0.512 ' OD2' ' N ' ' A' ' 133' ' ' ASP . 0.0 OUTLIER -100.93 -12.5 18.9 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.799 0.333 . . . . 9.56 110.66 -179.979 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 134' ' ' GLY . . . . . . . . . . . . . . . 105.04 8.85 35.59 Favored Glycine 0 CA--C 1.524 0.63 0 N-CA-C 110.971 -0.852 . . . . 7.32 110.971 -179.98 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 135' ' ' GLN . . . . . 0.415 ' CB ' ' HA ' ' A' ' 101' ' ' SER . 4.0 pt20 -146.14 166.19 26.92 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.753 0.311 . . . . 22.05 110.441 179.935 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 136' ' ' VAL . . . . . . . . . . . . . 38.6 t -121.77 100.14 8.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.323 -0.399 . . . . 10.34 110.634 179.999 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 137' ' ' ASN . . . . . . . . . . . . . 3.3 m120 -67.88 159.85 29.64 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.083 -0.508 . . . . 12.02 110.629 -179.987 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 138' ' ' TYR . . . . . . . . . . . . . 33.5 t80 -52.51 -37.34 57.23 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.246 -0.434 . . . . 8.75 110.513 179.982 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 139' ' ' GLU . . . . . . . . . . . . . 1.6 tm-20 -57.55 -37.59 73.35 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.168 -0.469 . . . . 22.33 110.52 -179.968 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 140' ' ' GLU . . . . . . . . . . . . . 1.9 mt-10 -65.09 -39.64 93.48 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.204 -0.453 . . . . 13.45 110.544 179.988 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 141' ' ' PHE . . . . . . . . . . . . . 2.1 m-85 -51.89 -56.91 11.22 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.163 -0.472 . . . . 8.25 110.515 179.889 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 142' ' ' VAL . . . . . 0.564 ' O ' ' OG1' ' A' ' 146' ' ' THR . 71.4 t -52.48 -23.26 4.42 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.164 -0.471 . . . . 10.15 110.49 179.95 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 143' ' ' GLN . . . . . 0.426 ' O ' ' N ' ' A' ' 146' ' ' THR . 0.5 OUTLIER -70.03 -46.87 64.13 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.185 -0.462 . . . . 8.24 110.494 179.904 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 144' ' ' MET . . . . . . . . . . . . . 5.0 ttt -48.71 -24.73 1.48 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.138 -0.483 . . . . 6.68 110.523 -179.943 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 145' ' ' MET . . . . . 0.44 ' CG ' ' O ' ' A' ' 142' ' ' VAL . 16.8 ptp -104.64 -10.85 17.24 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.229 -0.441 . . . . 13.37 110.548 179.864 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 146' ' ' THR . . . . . 0.564 ' OG1' ' O ' ' A' ' 142' ' ' VAL . 14.7 m -80.76 10.77 4.48 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.074 -0.512 . . . . 10.78 110.638 -179.989 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 147' ' ' ALA . . . . . . . . . . . . . . . -84.5 146.57 27.52 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.266 -0.425 . . . . 18.52 110.455 179.942 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 148' ' ' LYS . . . . . . . . . . . . . 33.9 pttt . . . . . 0 C--O 1.22 -0.467 0 CA-C-O 118.009 -0.996 . . . . 23.42 110.588 179.945 . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 401' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 402' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 403' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 404' ' ' ' TB' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 37.0 tt0 . . . . . 0 C--O 1.231 0.089 0 CA-C-O 120.799 0.333 . . . . 23.46 110.577 . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 1.2 tp -77.56 126.96 31.7 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.219 -0.446 . . . . 14.38 110.554 179.987 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 5' ' ' THR . . . . . 0.467 ' OG1' ' NE2' ' A' ' 8' ' ' GLN . 69.5 p -72.64 151.39 42.31 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.181 -0.463 . . . . 7.34 110.57 -179.974 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 6' ' ' GLU . . . . . 0.441 ' HG2' ' H ' ' A' ' 7' ' ' GLU . 1.0 OUTLIER -49.05 -44.12 41.43 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.227 -0.442 . . . . 7.12 110.525 179.969 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 7' ' ' GLU . . . . . 0.535 ' C ' ' OE1' ' A' ' 8' ' ' GLN . 25.1 mt-10 -53.16 -28.28 25.47 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.223 -0.444 . . . . 6.85 110.528 179.997 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 8' ' ' GLN . . . . . 0.545 ' OE1' ' N ' ' A' ' 8' ' ' GLN . 0.8 OUTLIER -90.69 -51.69 5.25 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.165 -0.47 . . . . 15.1 110.653 179.975 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 76.8 mt -48.68 -31.18 3.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.193 -0.458 . . . . 4.72 110.553 179.98 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -78.11 -59.45 2.77 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.248 -0.433 . . . . 6.68 110.551 -179.924 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 11.3 tm-20 -44.06 -32.13 1.1 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.265 -0.425 . . . . 18.49 110.613 -179.935 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 12' ' ' PHE . . . . . 0.57 ' CB ' HD21 ' A' ' 69' ' ' LEU . 8.0 m-85 -75.13 -50.06 17.56 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.193 -0.458 . . . . 14.89 110.595 179.941 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 1.7 tmtt? -46.95 -35.17 6.22 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.185 -0.462 . . . . 18.39 110.45 179.991 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 9.6 mm-40 -61.96 -48.91 78.26 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.185 -0.461 . . . . 22.76 110.511 179.988 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 15' ' ' ALA . . . . . 0.48 ' O ' ' CB ' ' A' ' 18' ' ' LEU . . . -45.82 -51.55 12.69 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.176 -0.466 . . . . 5.67 110.574 179.92 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 16' ' ' PHE . . . . . 0.527 ' CE2' HD11 ' A' ' 27' ' ' ILE . 0.1 OUTLIER -42.8 -60.17 1.68 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.153 -0.476 . . . . 13.28 110.416 179.995 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 66.7 m -45.33 -21.44 0.09 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.145 -0.479 . . . . 12.16 110.492 179.998 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 18' ' ' LEU . . . . . 0.48 ' CB ' ' O ' ' A' ' 15' ' ' ALA . 10.2 tp -75.71 -39.01 58.09 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.157 -0.474 . . . . 17.89 110.522 179.971 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 19' ' ' PHE . . . . . 0.429 ' N ' ' O ' ' A' ' 16' ' ' PHE . 52.9 m-85 -90.03 -50.32 6.08 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.252 -0.431 . . . . 9.14 110.515 -179.957 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 1.7 m-20 -72.98 68.19 0.9 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.24 -0.436 . . . . 7.47 110.575 179.994 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 4.8 ttpt -60.85 -19.65 60.41 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.098 -0.501 . . . . 27.75 110.62 -179.952 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 22' ' ' ASP . . . . . 0.511 ' OD1' ' OE2' ' A' ' 31' ' ' GLU . 8.5 m-20 -95.09 -15.26 23.53 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.242 -0.435 . . . . 14.13 110.6 -179.914 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 63.12 37.76 95.45 Favored Glycine 0 CA--C 1.526 0.727 0 N-CA-C 110.909 -0.877 . . . . 11.51 110.909 179.987 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 31.2 m-20 -79.78 -29.83 40.48 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.788 0.327 . . . . 14.28 110.588 -179.989 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 105.18 5.61 40.29 Favored Glycine 0 CA--C 1.525 0.671 0 N-CA-C 110.918 -0.873 . . . . 9.47 110.918 -179.939 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 4.3 p -148.66 143.32 26.42 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.801 0.334 . . . . 16.41 110.576 -179.987 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 27' ' ' ILE . . . . . 0.527 HD11 ' CE2' ' A' ' 16' ' ' PHE . 1.3 mt -107.86 125.15 64.39 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.21 -0.45 . . . . 8.03 110.535 179.995 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 1.5 p -107.32 170.69 7.81 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.19 -0.459 . . . . 7.8 110.558 -179.989 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 1.3 m -70.46 -19.53 62.95 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.183 -0.462 . . . . 10.04 110.548 -179.962 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 32.6 tptt -74.68 -35.49 62.79 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.22 -0.446 . . . . 16.38 110.623 -179.98 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 31' ' ' GLU . . . . . 0.511 ' OE2' ' OD1' ' A' ' 22' ' ' ASP . 30.7 mt-10 -85.32 -28.65 25.1 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.219 -0.446 . . . . 5.59 110.57 -180.0 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 32' ' ' LEU . . . . . 0.497 ' HA ' HD22 ' A' ' 32' ' ' LEU . 0.2 OUTLIER -64.61 -59.87 3.79 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.18 -0.464 . . . . 7.72 110.573 -179.95 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 33' ' ' GLY . . . . . 0.53 ' O ' ' N ' ' A' ' 37' ' ' ARG . . . -57.26 -48.75 77.85 Favored Glycine 0 CA--C 1.525 0.661 0 N-CA-C 110.913 -0.875 . . . . 6.93 110.913 179.979 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 97.7 m -49.48 -43.76 45.42 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.804 0.335 . . . . 9.63 110.506 179.984 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 35' ' ' VAL . . . . . 0.623 ' O ' HD13 ' A' ' 39' ' ' LEU . 72.8 t -71.9 -38.18 63.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.206 -0.452 . . . . 7.07 110.557 -179.993 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 36' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -77.0 -22.36 53.23 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.184 -0.462 . . . . 10.12 110.559 179.995 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 37' ' ' ARG . . . . . 0.53 ' N ' ' O ' ' A' ' 33' ' ' GLY . 36.8 ttm180 -72.54 -31.44 65.3 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.169 -0.469 . . . . 9.87 110.602 179.995 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 32.8 t -85.73 -14.47 45.19 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.225 -0.443 . . . . 8.15 110.611 179.947 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 39' ' ' LEU . . . . . 0.623 HD13 ' O ' ' A' ' 35' ' ' VAL . 4.1 mp -80.98 8.09 9.22 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.175 -0.466 . . . . 12.78 110.585 179.962 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 87.14 5.44 80.21 Favored Glycine 0 CA--C 1.525 0.702 0 N-CA-C 110.912 -0.875 . . . . 9.6 110.912 179.955 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 3.0 mm-40 -99.91 151.27 21.51 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.748 0.309 . . . . 20.35 110.6 -179.958 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 49.8 m-20 -131.98 80.03 65.89 Favored Pre-proline 0 C--N 1.328 -0.332 0 CA-C-N 116.226 -0.443 . . . . 10.22 110.543 179.933 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 43' ' ' PRO . . . . . 0.459 ' CG ' HD21 ' A' ' 48' ' ' LEU . 60.5 Cg_endo -78.13 150.6 26.28 Favored 'Trans proline' 0 C--N 1.306 -1.689 0 C-N-CA 122.792 2.328 . . . . 8.63 112.24 -179.91 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 44' ' ' THR . . . . . 0.493 ' O ' ' N ' ' A' ' 47' ' ' GLU . 66.5 m -98.94 152.19 20.05 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.148 -0.478 . . . . 4.83 110.56 179.896 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 16.6 mt-10 -45.43 -32.17 2.02 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.258 -0.428 . . . . 16.78 110.532 -179.939 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 46' ' ' ALA . . . . . 0.407 ' H ' HG22 ' A' ' 44' ' ' THR . . . -73.63 -26.62 60.86 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.197 -0.456 . . . . 4.8 110.534 179.991 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 47' ' ' GLU . . . . . 0.493 ' N ' ' O ' ' A' ' 44' ' ' THR . 52.0 tt0 -78.55 -60.76 2.24 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.225 -0.443 . . . . 6.18 110.585 -179.997 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 48' ' ' LEU . . . . . 0.459 HD21 ' CG ' ' A' ' 43' ' ' PRO . 68.8 mt -50.21 -49.5 52.54 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.195 -0.457 . . . . 6.65 110.559 179.968 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 19.3 tt0 -49.56 -43.72 46.2 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.177 -0.465 . . . . 7.05 110.558 -179.999 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 11.8 t70 -73.37 -28.42 62.02 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.228 -0.442 . . . . 6.72 110.546 179.993 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 51' ' ' MET . . . . . . . . . . . . . 26.2 ttm -69.52 -59.95 2.65 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.234 -0.439 . . . . 13.6 110.564 179.965 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 52' ' ' ILE . . . . . 0.436 ' HA ' HD13 ' A' ' 52' ' ' ILE . 36.2 mm -49.0 -47.21 16.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.212 -0.449 . . . . 8.71 110.579 179.965 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 8.9 m-20 -48.82 -46.5 42.03 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.246 -0.434 . . . . 9.04 110.522 179.942 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -51.18 -37.0 43.97 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.21 -0.45 . . . . 23.58 110.547 -179.909 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 55' ' ' VAL . . . . . 0.426 HG11 HD13 ' A' ' 63' ' ' ILE . 19.0 t -93.67 -18.73 6.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.236 -0.438 . . . . 7.6 110.533 179.997 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 56' ' ' ASP . . . . . 0.576 ' OD1' ' OD1' ' A' ' 60' ' ' ASP . 40.8 t0 -107.61 92.07 3.92 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.165 -0.47 . . . . 12.55 110.582 179.993 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -82.69 -31.64 28.48 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.213 -0.449 . . . . 15.13 110.6 -179.96 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -80.5 -10.16 59.75 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.192 -0.458 . . . . 14.32 110.603 179.966 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 61.45 47.78 88.74 Favored Glycine 0 CA--C 1.524 0.634 0 N-CA-C 110.989 -0.844 . . . . 13.64 110.989 -179.957 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 60' ' ' ASP . . . . . 0.652 ' OD1' ' N ' ' A' ' 60' ' ' ASP . 0.0 OUTLIER -87.57 -9.99 52.82 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.792 0.33 . . . . 13.27 110.564 -179.993 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 88.41 -3.73 85.3 Favored Glycine 0 CA--C 1.525 0.697 0 N-CA-C 110.885 -0.886 . . . . 11.65 110.885 -179.999 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 52.2 p -140.78 178.61 7.22 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.794 0.331 . . . . 11.55 110.591 -179.96 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 63' ' ' ILE . . . . . 0.491 HD12 ' HB ' ' A' ' 27' ' ' ILE . 98.6 mt -119.96 141.22 41.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.227 -0.442 . . . . 10.06 110.543 -179.983 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 64' ' ' ASP . . . . . 0.623 ' OD1' ' N ' ' A' ' 64' ' ' ASP . 0.0 OUTLIER -96.2 -178.86 4.46 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.215 -0.448 . . . . 11.33 110.541 179.961 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 65' ' ' PHE . . . . . 0.547 ' N ' ' HD2' ' A' ' 66' ' ' PRO . 3.0 t80 -85.03 -45.1 0.67 Allowed Pre-proline 0 CA--C 1.532 0.282 0 CA-C-N 116.288 -0.415 . . . . 7.4 111.217 -179.956 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 66' ' ' PRO . . . . . 0.547 ' HD2' ' N ' ' A' ' 65' ' ' PHE . 55.8 Cg_endo -74.7 -42.83 0.51 Allowed 'Trans proline' 0 N--CA 1.492 1.386 0 C-N-CA 122.021 1.814 . . . . 6.66 111.952 -179.946 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 67' ' ' GLU . . . . . 0.539 ' OE1' ' CG ' ' A' ' 64' ' ' ASP . 11.4 pt-20 -67.22 -19.0 65.48 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.226 -0.443 . . . . 7.44 110.26 179.688 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 68' ' ' PHE . . . . . . . . . . . . . 20.2 t80 -73.2 -25.12 60.64 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.018 -0.537 . . . . 8.58 110.384 179.871 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 69' ' ' LEU . . . . . 0.57 HD21 ' CB ' ' A' ' 12' ' ' PHE . 0.7 OUTLIER -83.24 -30.58 27.57 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.182 -0.463 . . . . 9.43 110.316 179.596 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 1.2 m -64.04 -55.18 24.11 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.123 -0.489 . . . . 7.53 110.586 -179.948 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 71' ' ' MET . . . . . 0.413 ' SD ' ' HG2' ' A' ' 72' ' ' MET . 0.0 OUTLIER -49.08 -44.78 42.29 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.191 -0.459 . . . . 11.86 110.561 179.979 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 72' ' ' MET . . . . . 0.413 ' HG2' ' SD ' ' A' ' 71' ' ' MET . 8.0 mmm -79.25 -40.69 29.96 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.221 -0.445 . . . . 22.32 110.654 -179.953 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 73' ' ' ALA . . . . . 0.443 ' CB ' ' O ' ' A' ' 69' ' ' LEU . . . -64.54 -56.41 14.21 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.222 -0.445 . . . . 9.15 110.645 -179.955 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 12.8 ttt180 -45.27 -40.48 7.6 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.181 -0.463 . . . . 13.8 110.597 -179.996 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 30.8 tptt -51.58 -46.37 63.45 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.178 -0.464 . . . . 25.18 110.523 -179.973 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 76' ' ' MET . . . . . . . . . . . . . 59.7 mmm -60.99 -34.69 75.18 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.244 -0.434 . . . . 34.79 110.561 179.964 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 26.7 mtmm -94.65 39.92 1.09 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.216 -0.447 . . . . 37.65 110.58 -179.984 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 78' ' ' ASP . . . . . 0.405 ' CG ' ' H ' ' A' ' 79' ' ' THR . 28.2 t0 -158.07 -173.37 4.31 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.16 -0.473 . . . . 42.58 110.533 -179.978 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 79' ' ' THR . . . . . 0.405 ' H ' ' CG ' ' A' ' 78' ' ' ASP . 70.5 p -72.7 163.51 27.97 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.202 -0.454 . . . . 38.4 110.596 179.997 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 3.5 m-20 -123.01 147.19 46.93 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.207 -0.451 . . . . 37.51 110.573 -179.973 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 13.8 p -113.78 112.75 23.93 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.184 -0.462 . . . . 33.12 110.539 -179.989 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 82' ' ' GLU . . . . . 0.433 ' H ' ' CD ' ' A' ' 82' ' ' GLU . 0.3 OUTLIER -59.89 -11.48 5.63 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.253 -0.431 . . . . 34.28 110.51 -179.98 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 83' ' ' GLU . . . . . 0.435 ' HG3' HH11 ' A' ' 86' ' ' ARG . 30.4 tt0 -62.7 -56.27 19.22 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.252 -0.431 . . . . 30.91 110.565 -179.959 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 82.2 mt-10 -60.27 -32.87 71.59 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.221 -0.445 . . . . 22.86 110.573 179.988 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 85' ' ' ILE . . . . . . . . . . . . . 8.1 mt -66.92 -20.48 27.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.231 -0.441 . . . . 19.17 110.569 -179.992 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 86' ' ' ARG . . . . . 0.435 HH11 ' HG3' ' A' ' 83' ' ' GLU . 40.0 mtm180 -82.41 -52.27 7.05 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.15 -0.477 . . . . 26.85 110.53 179.993 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 87' ' ' GLU . . . . . 0.447 ' HA ' ' NH2' ' A' ' 90' ' ' ARG . 4.0 tt0 -68.5 -54.66 15.43 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.174 -0.466 . . . . 16.48 110.561 180.0 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -48.52 -45.31 37.14 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.209 -0.45 . . . . 9.91 110.568 179.998 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 89' ' ' PHE . . . . . 0.499 ' C ' ' CD2' ' A' ' 89' ' ' PHE . 16.1 t80 -65.62 -29.97 70.62 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.239 -0.437 . . . . 8.53 110.584 179.975 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 90' ' ' ARG . . . . . 0.447 ' NH2' ' HA ' ' A' ' 87' ' ' GLU . 14.4 ttm105 -79.71 -18.92 50.13 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.18 -0.464 . . . . 17.58 110.585 179.95 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 91' ' ' VAL . . . . . . . . . . . . . 55.2 t -66.12 -26.52 38.41 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 116.192 -0.458 . . . . 7.82 110.589 -179.982 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 92' ' ' PHE . . . . . 0.491 ' CD1' HG11 ' A' ' 108' ' ' VAL . 86.6 m-85 -95.31 -41.43 9.03 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.161 -0.472 . . . . 9.11 110.702 179.986 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 93' ' ' ASP . . . . . 0.562 ' OD2' ' O ' ' A' ' 99' ' ' TYR . 7.4 t0 -80.36 68.82 6.66 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.198 -0.456 . . . . 11.11 110.655 -179.877 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 77.8 mttt -49.42 -19.02 0.46 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.222 -0.444 . . . . 14.57 111.122 -179.662 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 95' ' ' ASP . . . . . 0.572 ' OD1' ' OE1' ' A' ' 104' ' ' GLU . 1.8 m-20 -78.91 -13.87 59.55 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 120.857 0.36 . . . . 10.2 110.617 -179.918 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 60.49 11.77 23.02 Favored Glycine 0 CA--C 1.525 0.66 0 N-CA-C 111.024 -0.83 . . . . 6.24 111.024 -179.869 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 97' ' ' ASN . . . . . 0.677 ' ND2' ' CE1' ' A' ' 99' ' ' TYR . 32.9 p-10 -73.85 5.84 3.78 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.894 0.378 . . . . 7.56 110.359 179.794 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 98' ' ' GLY . . . . . 0.46 ' O ' ' CZ ' ' A' ' 89' ' ' PHE . . . 67.31 -7.83 1.7 Allowed Glycine 0 CA--C 1.526 0.728 0 N-CA-C 110.979 -0.849 . . . . 7.08 110.979 179.883 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 99' ' ' TYR . . . . . 0.677 ' CE1' ' ND2' ' A' ' 97' ' ' ASN . 0.8 OUTLIER -129.77 141.04 50.93 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.842 0.354 . . . . 9.0 110.58 -179.993 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 12.8 mt -122.1 128.67 75.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.194 -0.457 . . . . 9.29 110.469 179.94 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 101' ' ' SER . . . . . 0.455 ' C ' ' N ' ' A' ' 103' ' ' ALA . 5.2 p -91.91 151.53 20.49 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.276 -0.42 . . . . 7.02 110.675 -179.944 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -44.48 -19.31 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.069 -0.514 . . . . 6.41 110.652 -179.912 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 103' ' ' ALA . . . . . 0.455 ' N ' ' C ' ' A' ' 101' ' ' SER . . . -73.38 -60.02 2.44 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.203 -0.453 . . . . 5.01 110.663 -179.918 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 104' ' ' GLU . . . . . 0.572 ' OE1' ' OD1' ' A' ' 95' ' ' ASP . 8.8 mt-10 -63.85 -42.48 97.56 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.204 -0.453 . . . . 6.84 110.597 -179.944 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 105' ' ' LEU . . . . . 0.655 HD13 ' O ' ' A' ' 105' ' ' LEU . 0.2 OUTLIER -47.61 -51.04 22.65 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.258 -0.428 . . . . 4.99 110.585 -179.958 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 106' ' ' ARG . . . . . 0.569 ' O ' ' OG1' ' A' ' 110' ' ' THR . 55.7 ttt-85 -69.17 -28.13 66.14 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.216 -0.447 . . . . 15.24 110.622 -179.969 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 107' ' ' HIS . . . . . . . . . . . . . 54.2 t-80 -61.04 -45.21 95.71 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.184 -0.462 . . . . 15.69 110.643 -179.981 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 108' ' ' VAL . . . . . 0.491 HG11 ' CD1' ' A' ' 92' ' ' PHE . 55.7 t -68.94 -62.63 1.19 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.164 -0.471 . . . . 12.28 110.673 179.999 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 109' ' ' MET . . . . . . . . . . . . . 3.3 mmt -55.75 -18.81 9.16 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.171 -0.468 . . . . 9.53 110.649 -179.948 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 110' ' ' THR . . . . . 0.569 ' OG1' ' O ' ' A' ' 106' ' ' ARG . 1.4 m -71.38 -50.27 33.82 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.28 -0.418 . . . . 11.87 110.689 -179.963 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 111' ' ' ASN . . . . . . . . . . . . . 21.3 t-20 -74.94 -14.75 60.67 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.291 -0.413 . . . . 21.65 110.62 -179.997 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 112' ' ' LEU . . . . . 0.463 ' HA ' HD22 ' A' ' 112' ' ' LEU . 0.6 OUTLIER -50.04 -24.75 2.84 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.196 -0.457 . . . . 19.55 110.517 -179.988 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . 115.35 -2.0 22.2 Favored Glycine 0 CA--C 1.525 0.678 0 N-CA-C 110.798 -0.921 . . . . 19.66 110.798 -179.912 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 22.6 mp0 -124.54 128.08 48.38 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.723 0.297 . . . . 25.55 110.393 179.691 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 2.0 tptp -85.79 116.94 24.35 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.412 -0.358 . . . . 23.26 110.572 -179.925 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 116' ' ' LEU . . . . . . . . . . . . . 10.2 mt -109.96 145.54 36.76 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.232 -0.44 . . . . 23.07 110.554 179.95 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 117' ' ' THR . . . . . 0.622 ' O ' HG23 ' A' ' 121' ' ' VAL . 15.6 p -69.23 148.69 49.47 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.179 -0.464 . . . . 19.41 110.588 179.975 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 118' ' ' ASP . . . . . . . . . . . . . 9.3 p-10 -74.71 -42.23 58.73 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.213 -0.449 . . . . 18.08 110.572 179.944 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 119' ' ' GLU . . . . . . . . . . . . . 44.8 mt-10 -58.25 -27.69 64.22 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.197 -0.456 . . . . 20.16 110.596 179.991 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 120' ' ' GLU . . . . . . . . . . . . . 1.2 tp10 -82.28 -36.59 26.91 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.174 -0.466 . . . . 14.19 110.545 -179.962 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 121' ' ' VAL . . . . . 0.622 HG23 ' O ' ' A' ' 117' ' ' THR . 93.3 t -70.34 -43.55 78.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.24 -0.436 . . . . 14.97 110.57 179.978 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 122' ' ' ASP . . . . . . . . . . . . . 1.1 t70 -68.04 -51.89 41.67 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.214 -0.448 . . . . 20.12 110.563 179.997 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 123' ' ' GLU . . . . . . . . . . . . . 50.2 tp10 -53.23 -56.03 19.74 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.197 -0.456 . . . . 15.72 110.595 -179.971 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 124' ' ' MET . . . . . . . . . . . . . 10.6 mmt -48.52 -61.52 1.98 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.211 -0.449 . . . . 9.75 110.578 179.975 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 125' ' ' ILE . . . . . 0.469 HD11 ' HG ' ' A' ' 105' ' ' LEU . 21.0 mt -57.3 -53.82 38.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.144 -0.48 . . . . 11.99 110.566 -179.986 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 126' ' ' ARG . . . . . . . . . . . . . 69.3 ttt180 -46.06 -20.53 0.1 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.207 -0.451 . . . . 27.23 110.577 -179.986 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 127' ' ' GLU . . . . . 0.426 ' N ' ' C ' ' A' ' 125' ' ' ILE . 3.9 tt0 -81.85 -49.31 10.51 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.152 -0.476 . . . . 15.5 110.537 -179.969 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 128' ' ' ALA . . . . . . . . . . . . . . . -81.49 -12.89 58.7 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.237 -0.438 . . . . 10.5 110.579 179.994 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 129' ' ' ASP . . . . . 0.59 ' OD2' ' N ' ' A' ' 132' ' ' GLY . 37.1 t0 -72.19 92.78 1.39 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.194 -0.457 . . . . 10.86 110.594 179.975 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 130' ' ' ILE . . . . . . . . . . . . . 30.6 mt -49.53 -44.96 19.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.154 -0.475 . . . . 12.26 110.595 -179.973 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 131' ' ' ASP . . . . . 0.567 ' OD2' ' N ' ' A' ' 131' ' ' ASP . 0.1 OUTLIER -74.8 -17.77 60.57 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.171 -0.468 . . . . 7.79 110.622 -179.984 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 132' ' ' GLY . . . . . 0.59 ' N ' ' OD2' ' A' ' 129' ' ' ASP . . . 49.2 42.31 32.02 Favored Glycine 0 CA--C 1.524 0.635 0 N-CA-C 110.947 -0.861 . . . . 3.93 110.947 -179.97 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 133' ' ' ASP . . . . . 0.477 ' OD2' ' N ' ' A' ' 135' ' ' GLN . 12.9 p30 -100.12 -9.91 22.05 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.749 0.309 . . . . 9.56 110.575 179.972 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 134' ' ' GLY . . . . . . . . . . . . . . . 104.96 5.72 40.79 Favored Glycine 0 CA--C 1.524 0.649 0 N-CA-C 110.933 -0.867 . . . . 7.32 110.933 179.993 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 135' ' ' GLN . . . . . 0.546 ' O ' ' OD1' ' A' ' 129' ' ' ASP . 4.6 mp0 -136.68 157.78 45.98 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.824 0.345 . . . . 22.05 110.559 179.948 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 136' ' ' VAL . . . . . . . . . . . . . 48.5 t -111.71 139.34 36.51 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.233 -0.44 . . . . 10.34 110.605 -179.972 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 137' ' ' ASN . . . . . . . . . . . . . 14.6 m120 -109.78 159.53 17.11 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.146 -0.479 . . . . 12.02 110.355 179.649 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 138' ' ' TYR . . . . . . . . . . . . . 27.1 t80 -54.32 -31.34 53.99 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.381 -0.372 . . . . 8.75 110.497 179.919 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 139' ' ' GLU . . . . . . . . . . . . . 28.5 tt0 -64.32 -41.65 96.7 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.138 -0.483 . . . . 22.33 110.521 179.958 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 140' ' ' GLU . . . . . . . . . . . . . 2.2 mt-10 -61.48 -42.85 99.41 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.178 -0.465 . . . . 13.45 110.493 179.935 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 141' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER -50.18 -44.06 52.73 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.206 -0.452 . . . . 8.25 110.495 179.874 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 142' ' ' VAL . . . . . 0.656 ' O ' ' SD ' ' A' ' 145' ' ' MET . 6.4 t -59.26 -50.74 78.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.17 -0.468 . . . . 10.15 110.469 179.869 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 143' ' ' GLN . . . . . 0.446 ' H ' ' HG2' ' A' ' 143' ' ' GLN . 30.8 mm-40 -43.33 -38.37 2.64 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.194 -0.457 . . . . 8.24 110.48 179.873 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 144' ' ' MET . . . . . . . . . . . . . 2.9 mmt -55.21 -43.64 74.64 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.175 -0.466 . . . . 6.68 110.506 179.941 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 145' ' ' MET . . . . . 0.656 ' SD ' ' O ' ' A' ' 142' ' ' VAL . 1.1 ppp? -93.69 -12.96 28.12 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.23 -0.441 . . . . 13.37 110.55 179.971 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 146' ' ' THR . . . . . 0.652 ' N ' ' SD ' ' A' ' 145' ' ' MET . 0.2 OUTLIER -80.4 10.72 4.28 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.204 -0.453 . . . . 10.78 110.585 179.924 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 147' ' ' ALA . . . . . . . . . . . . . . . -99.33 145.84 26.91 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.166 -0.47 . . . . 18.52 110.518 -179.98 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 148' ' ' LYS . . . . . 0.708 ' H ' ' CD ' ' A' ' 148' ' ' LYS . 0.0 OUTLIER . . . . . 0 C--O 1.22 -0.467 0 CA-C-O 118.01 -0.995 . . . . 23.42 110.547 -179.965 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 401' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 402' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 403' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 404' ' ' ' TB' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 39.6 mm-40 . . . . . 0 C--O 1.23 0.072 0 CA-C-O 120.833 0.349 . . . . 23.46 110.571 . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 1.1 tp -78.9 126.92 31.34 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.172 -0.467 . . . . 14.38 110.594 -179.973 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 8.3 m -75.92 155.19 35.4 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.192 -0.458 . . . . 7.34 110.591 -179.98 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 6' ' ' GLU . . . . . 0.419 ' HG3' ' H ' ' A' ' 7' ' ' GLU . 0.8 OUTLIER -52.54 -47.0 67.02 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.196 -0.456 . . . . 7.12 110.561 179.986 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 7' ' ' GLU . . . . . 0.419 ' H ' ' HG3' ' A' ' 6' ' ' GLU . 42.0 mt-10 -52.07 -27.28 13.32 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.187 -0.46 . . . . 6.85 110.551 179.995 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 30.1 mt-30 -90.71 -47.9 7.37 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.218 -0.446 . . . . 15.1 110.543 -179.953 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 69.3 mt -57.3 -32.32 40.58 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.208 -0.451 . . . . 4.72 110.555 -179.95 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -72.24 -59.46 2.72 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.197 -0.456 . . . . 6.68 110.557 -179.964 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 11.2 tp10 -45.49 -39.88 7.79 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.243 -0.435 . . . . 18.49 110.554 -179.946 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 12' ' ' PHE . . . . . 0.5 ' CG ' HD21 ' A' ' 69' ' ' LEU . 3.9 m-85 -63.46 -44.34 94.74 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.22 -0.445 . . . . 14.89 110.596 180.0 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 13.8 ttmm -47.93 -32.32 6.25 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.165 -0.47 . . . . 18.39 110.579 179.909 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -66.63 -51.43 56.4 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.197 -0.456 . . . . 22.76 110.592 179.989 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -45.05 -48.29 11.76 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.238 -0.437 . . . . 5.67 110.543 179.977 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -49.84 -60.23 3.1 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.165 -0.471 . . . . 13.28 110.49 179.984 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -47.34 -21.59 0.31 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.164 -0.471 . . . . 12.16 110.473 179.966 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 18' ' ' LEU . . . . . 0.449 HD22 ' HA ' ' A' ' 18' ' ' LEU . 0.1 OUTLIER -74.96 -37.54 61.93 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.155 -0.475 . . . . 17.89 110.507 179.927 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 47.3 m-85 -90.05 -50.21 6.14 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.225 -0.443 . . . . 9.14 110.589 179.953 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 20' ' ' ASP . . . . . 0.495 ' O ' ' N ' ' A' ' 23' ' ' GLY . 36.7 t0 -79.8 73.86 6.52 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.186 -0.461 . . . . 7.47 110.575 -179.989 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -48.39 -20.88 0.45 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.18 -0.464 . . . . 27.75 110.69 -179.957 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 32.4 m-20 -96.63 -15.32 21.58 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.284 -0.416 . . . . 14.13 110.577 -179.984 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 23' ' ' GLY . . . . . 0.495 ' N ' ' O ' ' A' ' 20' ' ' ASP . . . 55.74 34.87 61.4 Favored Glycine 0 CA--C 1.525 0.702 0 N-CA-C 110.93 -0.868 . . . . 11.51 110.93 -179.956 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 54.0 m-20 -70.8 -18.99 62.73 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.817 0.342 . . . . 14.28 110.666 179.98 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 105.18 2.64 41.72 Favored Glycine 0 CA--C 1.524 0.646 0 N-CA-C 110.92 -0.872 . . . . 9.47 110.92 179.995 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 57.9 p -145.87 138.36 25.58 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.86 0.362 . . . . 16.41 110.552 -179.992 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 27' ' ' ILE . . . . . 0.644 ' HB ' HD12 ' A' ' 63' ' ' ILE . 88.3 mt -98.63 125.7 51.95 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.188 -0.46 . . . . 8.03 110.578 179.971 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 11.8 p -100.45 175.35 5.72 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.177 -0.465 . . . . 7.8 110.58 -179.94 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 29' ' ' THR . . . . . 0.686 HG22 HD23 ' A' ' 48' ' ' LEU . 8.3 m -78.34 -37.99 43.19 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.174 -0.466 . . . . 10.04 110.541 -179.94 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 23.3 tttp -65.24 -32.2 73.75 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.246 -0.434 . . . . 16.38 110.603 -179.917 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 4.9 mt-10 -78.48 -31.41 47.8 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.221 -0.445 . . . . 5.59 110.501 -179.95 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 32' ' ' LEU . . . . . 0.439 HD13 ' CG2' ' A' ' 27' ' ' ILE . 1.8 tp -64.15 -59.85 3.93 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.182 -0.463 . . . . 7.72 110.521 -179.993 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 33' ' ' GLY . . . . . 0.518 ' H ' HD21 ' A' ' 48' ' ' LEU . . . -44.58 -43.4 7.84 Favored Glycine 0 CA--C 1.525 0.683 0 N-CA-C 110.887 -0.885 . . . . 6.93 110.887 -179.995 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 6.7 m -52.2 -36.7 52.76 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.738 0.304 . . . . 9.63 110.478 179.986 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 35' ' ' VAL . . . . . 0.572 ' O ' ' OG ' ' A' ' 38' ' ' SER . 61.3 t -60.19 -55.81 21.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.243 -0.435 . . . . 7.07 110.574 179.977 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 36' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -59.31 -34.08 71.88 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.225 -0.443 . . . . 10.12 110.508 179.96 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 37' ' ' ARG . . . . . 0.436 ' NH2' ' HG2' ' A' ' 37' ' ' ARG . 29.5 ttt-85 -55.16 -31.24 61.2 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.208 -0.451 . . . . 9.87 110.537 179.999 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 38' ' ' SER . . . . . 0.572 ' OG ' ' O ' ' A' ' 35' ' ' VAL . 53.4 p -80.57 -18.22 49.01 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.213 -0.449 . . . . 8.15 110.505 179.912 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 39' ' ' LEU . . . . . 0.598 HD21 HD11 ' A' ' 112' ' ' LEU . 85.8 mt -90.45 12.41 18.64 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.171 -0.468 . . . . 12.78 110.515 -179.995 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 64.33 27.13 71.2 Favored Glycine 0 CA--C 1.525 0.69 0 N-CA-C 110.911 -0.875 . . . . 9.6 110.911 179.984 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 6.9 tt0 -102.96 155.58 18.26 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.84 0.352 . . . . 20.35 110.621 -179.976 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -131.17 80.09 69.35 Favored Pre-proline 0 C--N 1.328 -0.332 0 CA-C-N 116.193 -0.458 . . . . 10.22 110.487 179.976 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 59.2 Cg_endo -77.71 153.51 29.98 Favored 'Trans proline' 0 C--N 1.306 -1.659 0 C-N-CA 122.777 2.318 . . . . 8.63 112.254 -179.801 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 34.4 p -84.48 151.54 24.55 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.073 -0.512 . . . . 4.83 110.588 179.943 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 16.5 mt-10 -53.08 -31.43 41.75 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.223 -0.444 . . . . 16.78 110.578 -179.998 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -75.38 -43.31 50.89 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.173 -0.467 . . . . 4.8 110.546 -179.984 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 14.2 mm-40 -54.83 -60.86 2.78 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.193 -0.458 . . . . 6.18 110.49 -179.965 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 48' ' ' LEU . . . . . 0.686 HD23 HG22 ' A' ' 29' ' ' THR . 3.2 tp -52.37 -48.84 65.34 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.229 -0.442 . . . . 6.65 110.576 179.983 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 7.3 tt0 -54.48 -46.59 73.43 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.169 -0.468 . . . . 7.05 110.537 179.971 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 6.7 m-20 -66.49 -26.05 66.99 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.22 -0.446 . . . . 6.72 110.577 179.979 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 51' ' ' MET . . . . . 0.571 ' SD ' ' C ' ' A' ' 51' ' ' MET . 0.1 OUTLIER -70.18 -56.92 5.62 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.161 -0.472 . . . . 13.6 110.555 179.949 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 52' ' ' ILE . . . . . 0.527 HG13 HG23 ' A' ' 29' ' ' THR . 3.9 mm -49.02 -42.31 14.32 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.193 -0.458 . . . . 8.71 110.514 -179.996 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -50.98 -46.85 61.45 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.253 -0.431 . . . . 9.04 110.507 179.962 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 2.7 tt0 -51.2 -37.39 46.42 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.217 -0.447 . . . . 23.58 110.576 -179.982 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 55' ' ' VAL . . . . . 0.505 HG11 HD13 ' A' ' 63' ' ' ILE . 21.6 t -91.02 -17.49 7.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.18 -0.464 . . . . 7.6 110.589 179.99 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 56' ' ' ASP . . . . . 0.521 ' OD1' ' O ' ' A' ' 62' ' ' THR . 1.4 t70 -100.69 84.6 2.76 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.168 -0.469 . . . . 12.55 110.559 179.99 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -78.2 -28.76 48.1 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.166 -0.47 . . . . 15.13 110.603 179.99 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 58' ' ' ASP . . . . . 0.466 ' OD2' ' OE2' ' A' ' 67' ' ' GLU . 1.1 m-20 -85.34 -10.61 56.14 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.213 -0.449 . . . . 14.32 110.509 -179.978 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 59.14 35.06 82.51 Favored Glycine 0 CA--C 1.524 0.62 0 N-CA-C 110.951 -0.86 . . . . 13.64 110.951 -179.965 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 60' ' ' ASP . . . . . 0.519 ' OD2' ' OG1' ' A' ' 62' ' ' THR . 12.3 p-10 -83.69 -15.45 48.71 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.826 0.346 . . . . 13.27 110.535 -179.955 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 90.96 13.22 59.38 Favored Glycine 0 CA--C 1.525 0.678 0 N-CA-C 110.925 -0.87 . . . . 11.65 110.925 179.971 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 62' ' ' THR . . . . . 0.521 ' O ' ' OD1' ' A' ' 56' ' ' ASP . 3.2 p -152.71 165.23 35.95 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.789 0.328 . . . . 11.55 110.569 -179.954 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 63' ' ' ILE . . . . . 0.644 HD12 ' HB ' ' A' ' 27' ' ' ILE . 68.2 mt -115.75 141.41 33.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.175 -0.466 . . . . 10.06 110.539 -179.959 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 64' ' ' ASP . . . . . 0.506 ' OD1' ' OE1' ' A' ' 67' ' ' GLU . 7.3 m-20 -106.87 -174.53 2.56 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.202 -0.454 . . . . 11.33 110.635 -179.885 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 65' ' ' PHE . . . . . 0.526 ' N ' ' HD2' ' A' ' 66' ' ' PRO . 0.1 OUTLIER -74.73 -49.48 4.63 Favored Pre-proline 0 C--N 1.33 -0.254 0 CA-C-N 116.163 -0.471 . . . . 7.4 111.171 -179.912 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 66' ' ' PRO . . . . . 0.526 ' HD2' ' N ' ' A' ' 65' ' ' PHE . 46.7 Cg_endo -73.9 -16.93 22.97 Favored 'Trans proline' 0 C--N 1.309 -1.507 0 C-N-CA 122.251 1.968 . . . . 6.66 112.051 -179.79 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 67' ' ' GLU . . . . . 0.506 ' OE1' ' OD1' ' A' ' 64' ' ' ASP . 43.5 mt-10 -91.66 -24.74 19.42 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.121 -0.49 . . . . 7.44 110.363 179.782 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 68' ' ' PHE . . . . . . . . . . . . . 10.8 t80 -82.83 -28.45 30.16 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.101 -0.499 . . . . 8.58 110.713 -179.949 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 69' ' ' LEU . . . . . 0.5 HD21 ' CG ' ' A' ' 12' ' ' PHE . 0.7 OUTLIER -83.95 -36.94 22.89 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.289 -0.414 . . . . 9.43 110.354 179.537 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 70' ' ' THR . . . . . 0.456 ' O ' ' N ' ' A' ' 74' ' ' ARG . 0.1 OUTLIER -54.96 -57.86 9.96 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.061 -0.518 . . . . 7.53 110.593 -179.983 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 71' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -47.86 -37.42 13.9 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.195 -0.457 . . . . 11.86 110.446 -179.973 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 72' ' ' MET . . . . . . . . . . . . . 2.0 mmt -83.19 -34.92 25.83 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.179 -0.464 . . . . 22.32 110.645 179.994 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 73' ' ' ALA . . . . . 0.445 ' N ' ' O ' ' A' ' 69' ' ' LEU . . . -75.45 -56.45 4.69 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.244 -0.435 . . . . 9.15 110.655 -179.979 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 74' ' ' ARG . . . . . 0.513 ' CG ' ' N ' ' A' ' 75' ' ' LYS . 8.6 ptm180 -45.26 -44.0 10.9 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.218 -0.446 . . . . 13.8 110.516 -179.997 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 75' ' ' LYS . . . . . 0.513 ' N ' ' CG ' ' A' ' 74' ' ' ARG . 21.3 mttt -51.63 -45.49 63.32 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.198 -0.455 . . . . 25.18 110.54 179.998 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 76' ' ' MET . . . . . . . . . . . . . 6.2 tpt -53.94 -38.34 64.81 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.245 -0.434 . . . . 34.79 110.583 179.942 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 77' ' ' LYS . . . . . 0.563 ' O ' ' OD1' ' A' ' 78' ' ' ASP . 21.6 tttt -95.76 40.0 1.12 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.195 -0.457 . . . . 37.65 110.584 -179.972 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 78' ' ' ASP . . . . . 0.563 ' OD1' ' O ' ' A' ' 77' ' ' LYS . 1.2 m-20 -155.94 -177.36 6.51 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.222 -0.445 . . . . 42.58 110.548 -179.971 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -72.18 161.37 30.97 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.194 -0.457 . . . . 38.4 110.515 179.955 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 22.3 t70 -122.0 146.76 46.85 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.189 -0.459 . . . . 37.51 110.575 179.993 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 58.6 m -111.81 121.18 44.37 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.147 -0.479 . . . . 33.12 110.577 -179.979 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 82' ' ' GLU . . . . . 0.652 ' N ' ' OE2' ' A' ' 82' ' ' GLU . 1.0 OUTLIER -66.92 -10.32 47.54 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.231 -0.441 . . . . 34.28 110.573 -179.992 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 34.9 mt-10 -57.31 -34.18 68.46 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.226 -0.443 . . . . 30.91 110.591 -179.997 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -83.07 -45.34 14.13 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.219 -0.446 . . . . 22.86 110.598 -179.971 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 85' ' ' ILE . . . . . . . . . . . . . 86.0 mt -50.77 -33.89 12.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.189 -0.46 . . . . 19.17 110.659 -179.965 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 86' ' ' ARG . . . . . 0.47 ' HG3' ' N ' ' A' ' 87' ' ' GLU . 4.5 ptm180 -83.5 -53.36 5.75 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.223 -0.444 . . . . 26.85 110.616 -179.985 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 87' ' ' GLU . . . . . 0.917 ' O ' HG23 ' A' ' 91' ' ' VAL . 3.2 tt0 -58.29 -40.01 80.84 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.212 -0.449 . . . . 16.48 110.656 -179.94 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -71.98 -30.08 64.9 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.23 -0.441 . . . . 9.91 110.678 -179.958 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 89' ' ' PHE . . . . . 0.432 ' C ' ' CD2' ' A' ' 89' ' ' PHE . 23.5 t80 -73.63 -45.54 52.24 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.239 -0.437 . . . . 8.53 110.633 -179.969 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 8.5 ptt180 -73.34 -18.85 61.14 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.239 -0.437 . . . . 17.58 110.517 -179.948 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 91' ' ' VAL . . . . . 0.917 HG23 ' O ' ' A' ' 87' ' ' GLU . 4.6 t -65.29 -27.09 41.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.161 -0.472 . . . . 7.82 110.596 -179.971 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 92' ' ' PHE . . . . . 0.594 ' CE1' HG11 ' A' ' 108' ' ' VAL . 8.9 m-85 -95.32 -50.51 4.99 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.264 -0.425 . . . . 9.11 110.721 -179.95 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 93' ' ' ASP . . . . . 0.577 ' OD1' ' OE1' ' A' ' 104' ' ' GLU . 16.2 t0 -68.96 68.82 0.17 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.222 -0.444 . . . . 11.11 110.622 -179.923 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -48.77 -18.56 0.28 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.184 -0.462 . . . . 14.57 111.165 -179.659 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . 5.5 m-20 -77.56 -12.53 59.97 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-O 120.867 0.365 . . . . 10.2 110.647 -179.857 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 60.12 9.66 12.1 Favored Glycine 0 CA--C 1.524 0.652 0 N-CA-C 111.048 -0.821 . . . . 6.24 111.048 -179.953 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 97' ' ' ASN . . . . . 0.664 ' O ' ' CE1' ' A' ' 99' ' ' TYR . 12.0 p-10 -69.68 2.32 3.38 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.886 0.374 . . . . 7.56 110.436 179.841 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 98' ' ' GLY . . . . . 0.455 ' C ' ' CD2' ' A' ' 99' ' ' TYR . . . 64.88 10.92 48.5 Favored Glycine 0 CA--C 1.524 0.622 0 N-CA-C 111.012 -0.835 . . . . 7.08 111.012 179.982 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 99' ' ' TYR . . . . . 0.664 ' CE1' ' O ' ' A' ' 97' ' ' ASN . 2.0 m-85 -130.31 136.59 49.3 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.81 0.338 . . . . 9.0 110.572 179.94 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 28.5 mt -116.18 107.46 22.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.17 -0.468 . . . . 9.29 110.554 -179.991 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -87.94 151.69 22.62 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.261 -0.427 . . . . 7.02 110.655 -179.88 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -50.99 -24.17 3.49 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.137 -0.483 . . . . 6.41 110.677 -179.947 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -64.14 -60.02 3.73 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.193 -0.458 . . . . 5.01 110.612 -179.892 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 104' ' ' GLU . . . . . 0.577 ' OE1' ' OD1' ' A' ' 93' ' ' ASP . 4.8 pt-20 -69.77 -24.8 63.56 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.19 -0.459 . . . . 6.84 110.649 -179.938 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 105' ' ' LEU . . . . . . . . . . . . . 26.9 tp -63.74 -48.53 76.65 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.25 -0.432 . . . . 4.99 110.443 179.949 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 106' ' ' ARG . . . . . 0.573 ' O ' ' OG1' ' A' ' 110' ' ' THR . 1.3 ttm180 -71.56 -15.86 62.29 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.201 -0.454 . . . . 15.24 110.551 -179.981 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 107' ' ' HIS . . . . . . . . . . . . . 84.4 t60 -72.58 -36.64 68.21 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.184 -0.462 . . . . 15.69 110.622 -179.941 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 108' ' ' VAL . . . . . 0.594 HG11 ' CE1' ' A' ' 92' ' ' PHE . 7.1 t -76.95 -62.67 1.27 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.225 -0.443 . . . . 12.28 110.586 -179.964 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 109' ' ' MET . . . . . 0.578 ' O ' ' O ' ' A' ' 114' ' ' GLU . 2.9 mmt -52.34 -25.77 10.54 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.215 -0.448 . . . . 9.53 110.673 -179.898 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 110' ' ' THR . . . . . 0.573 ' OG1' ' O ' ' A' ' 106' ' ' ARG . 3.9 m -73.69 -51.38 16.85 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.276 -0.42 . . . . 11.87 110.903 -179.781 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 111' ' ' ASN . . . . . 0.503 ' OD1' ' N ' ' A' ' 112' ' ' LEU . 20.7 p30 -78.78 -22.66 46.02 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.396 -0.365 . . . . 21.65 110.807 -179.806 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 112' ' ' LEU . . . . . 0.598 HD11 HD21 ' A' ' 39' ' ' LEU . 4.8 tp -50.07 -15.38 0.21 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.298 -0.41 . . . . 19.55 110.558 -179.926 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 113' ' ' GLY . . . . . 0.419 ' N ' ' C ' ' A' ' 111' ' ' ASN . . . 115.17 -3.79 22.25 Favored Glycine 0 CA--C 1.524 0.639 0 N-CA-C 110.919 -0.872 . . . . 19.66 110.919 179.984 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 114' ' ' GLU . . . . . 0.578 ' O ' ' O ' ' A' ' 109' ' ' MET . 1.4 tm-20 -124.21 120.08 31.23 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.788 0.328 . . . . 25.55 110.5 179.883 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 13.1 mmtp -78.78 117.5 19.96 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.318 -0.401 . . . . 23.26 110.535 -179.892 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 116' ' ' LEU . . . . . 0.667 ' CD2' ' N ' ' A' ' 116' ' ' LEU . 1.6 mm? -85.37 154.35 21.92 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.166 -0.47 . . . . 23.07 110.545 -179.972 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 117' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -91.94 148.76 21.96 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.221 -0.445 . . . . 19.41 110.57 179.988 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 118' ' ' ASP . . . . . 0.562 ' O ' ' OD1' ' A' ' 122' ' ' ASP . 1.0 OUTLIER -50.46 -38.76 45.46 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.185 -0.462 . . . . 18.08 110.498 -179.986 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 119' ' ' GLU . . . . . 0.585 ' OE1' ' N ' ' A' ' 119' ' ' GLU . 1.7 mp0 -75.85 -44.33 41.36 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.177 -0.465 . . . . 20.16 110.535 -179.97 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 120' ' ' GLU . . . . . . . . . . . . . 4.2 mm-40 -45.49 -56.29 5.23 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.233 -0.439 . . . . 14.19 110.531 -180.0 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 121' ' ' VAL . . . . . 0.521 HG21 ' HG3' ' A' ' 106' ' ' ARG . 14.7 t -65.65 -62.08 1.4 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.21 -0.45 . . . . 14.97 110.61 -180.0 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 122' ' ' ASP . . . . . 0.562 ' OD1' ' O ' ' A' ' 118' ' ' ASP . 3.6 m-20 -45.38 -22.73 0.15 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.188 -0.46 . . . . 20.12 110.608 179.941 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 123' ' ' GLU . . . . . 0.411 ' N ' ' C ' ' A' ' 121' ' ' VAL . 17.0 tp10 -75.87 -54.86 6.25 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.195 -0.457 . . . . 15.72 110.578 179.961 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 124' ' ' MET . . . . . . . . . . . . . 6.4 tpt -55.71 -55.36 33.16 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.212 -0.449 . . . . 9.75 110.54 -179.978 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 125' ' ' ILE . . . . . 0.441 ' O ' ' N ' ' A' ' 129' ' ' ASP . 26.6 mm -44.64 -55.8 0.95 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.205 -0.452 . . . . 11.99 110.546 -179.998 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 126' ' ' ARG . . . . . . . . . . . . . 8.2 ttt-85 -43.63 -35.38 1.75 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.196 -0.457 . . . . 27.23 110.58 179.972 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 127' ' ' GLU . . . . . . . . . . . . . 2.6 tm-20 -74.33 -54.57 7.39 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.197 -0.456 . . . . 15.5 110.582 179.997 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 128' ' ' ALA . . . . . 0.448 ' O ' ' OE1' ' A' ' 140' ' ' GLU . . . -65.83 -21.1 66.45 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.207 -0.452 . . . . 10.5 110.559 179.963 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 129' ' ' ASP . . . . . 0.441 ' N ' ' O ' ' A' ' 125' ' ' ILE . 0.6 OUTLIER -60.88 111.94 1.86 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.169 -0.469 . . . . 10.86 110.528 179.992 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 130' ' ' ILE . . . . . . . . . . . . . 3.1 mt -79.64 -50.31 18.17 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.258 -0.428 . . . . 12.26 110.572 179.812 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 131' ' ' ASP . . . . . 0.439 ' OD2' ' N ' ' A' ' 131' ' ' ASP . 0.0 OUTLIER -110.64 11.07 22.85 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.146 -0.479 . . . . 7.79 110.66 179.952 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 132' ' ' GLY . . . . . . . . . . . . . . . 64.94 54.14 29.82 Favored Glycine 0 CA--C 1.525 0.674 0 N-CA-C 110.873 -0.891 . . . . 3.93 110.873 -179.94 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 133' ' ' ASP . . . . . . . . . . . . . 2.3 m-20 -100.99 -30.21 11.76 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.739 0.304 . . . . 9.56 110.631 -179.97 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 134' ' ' GLY . . . . . . . . . . . . . . . 105.08 4.96 41.32 Favored Glycine 0 CA--C 1.525 0.681 0 N-CA-C 110.996 -0.842 . . . . 7.32 110.996 -179.955 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 135' ' ' GLN . . . . . . . . . . . . . 1.5 mt-30 -129.31 155.18 46.02 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.68 0.276 . . . . 22.05 110.486 179.967 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 136' ' ' VAL . . . . . . . . . . . . . 46.0 t -111.27 135.0 51.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.336 -0.393 . . . . 10.34 110.626 -179.916 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 137' ' ' ASN . . . . . 0.65 ' H ' ' CD ' ' A' ' 140' ' ' GLU . 0.2 OUTLIER -109.81 159.55 17.11 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.058 -0.519 . . . . 12.02 110.315 179.681 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 138' ' ' TYR . . . . . 0.529 ' CD2' ' C ' ' A' ' 138' ' ' TYR . 7.7 t80 -54.19 -30.87 51.28 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.829 0.347 . . . . 8.75 110.503 179.949 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 139' ' ' GLU . . . . . 0.485 ' OE2' ' CG ' ' A' ' 143' ' ' GLN . 1.5 tm-20 -66.23 -39.85 89.84 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.172 -0.467 . . . . 22.33 110.486 179.92 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 140' ' ' GLU . . . . . 0.65 ' CD ' ' H ' ' A' ' 137' ' ' ASN . 4.7 mt-10 -61.91 -43.33 99.06 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.206 -0.452 . . . . 13.45 110.441 -179.993 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 141' ' ' PHE . . . . . . . . . . . . . 0.6 OUTLIER -50.12 -42.02 49.79 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.22 -0.445 . . . . 8.25 110.483 179.954 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 142' ' ' VAL . . . . . . . . . . . . . 70.7 t -67.67 -38.2 79.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.155 -0.475 . . . . 10.15 110.558 179.971 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 143' ' ' GLN . . . . . 0.485 ' CG ' ' OE2' ' A' ' 139' ' ' GLU . 22.3 mm100 -52.32 -52.64 51.95 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.224 -0.443 . . . . 8.24 110.525 179.947 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 144' ' ' MET . . . . . . . . . . . . . 2.5 ttp -49.43 -40.58 37.15 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.192 -0.458 . . . . 6.68 110.572 -179.997 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 145' ' ' MET . . . . . 0.561 ' CG ' ' O ' ' A' ' 145' ' ' MET . 0.8 OUTLIER -64.92 -3.9 3.94 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.183 -0.462 . . . . 13.37 110.523 179.977 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 146' ' ' THR . . . . . . . . . . . . . 29.8 p -111.44 -25.62 9.52 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.19 -0.459 . . . . 10.78 110.536 179.98 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 147' ' ' ALA . . . . . . . . . . . . . . . -70.21 129.19 38.69 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.184 -0.462 . . . . 18.52 110.563 -179.962 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 148' ' ' LYS . . . . . . . . . . . . . 25.7 mttm . . . . . 0 C--O 1.22 -0.493 0 CA-C-O 117.966 -1.016 . . . . 23.42 110.573 -179.989 . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 401' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 402' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 403' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 404' ' ' ' TB' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 37.1 mm-40 . . . . . 0 C--O 1.231 0.086 0 CA-C-O 120.81 0.338 . . . . 23.46 110.542 . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 4' ' ' LEU . . . . . 0.722 HD23 HG12 ' A' ' 9' ' ' ILE . 5.2 tp -74.18 131.54 41.36 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.185 -0.462 . . . . 14.38 110.581 -179.987 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 5' ' ' THR . . . . . 0.419 HG23 ' H ' ' A' ' 5' ' ' THR . 2.3 p -74.3 147.64 42.13 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.214 -0.448 . . . . 7.34 110.545 -179.979 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 6' ' ' GLU . . . . . 0.621 ' CD ' ' H ' ' A' ' 6' ' ' GLU . 3.8 mp0 -54.69 -43.74 72.76 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.169 -0.469 . . . . 7.12 110.585 179.969 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 5.0 mt-10 -54.61 -34.76 62.55 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.196 -0.456 . . . . 6.85 110.555 -179.981 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 8' ' ' GLN . . . . . 0.463 ' OE1' ' N ' ' A' ' 8' ' ' GLN . 1.0 OUTLIER -79.09 -42.46 26.3 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.155 -0.475 . . . . 15.1 110.579 179.986 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 9' ' ' ILE . . . . . 0.722 HG12 HD23 ' A' ' 4' ' ' LEU . 92.0 mt -62.51 -35.31 69.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.214 -0.448 . . . . 4.72 110.544 -179.925 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -63.21 -59.52 4.64 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.23 -0.441 . . . . 6.68 110.573 -179.902 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 38.0 mt-10 -46.86 -30.22 2.39 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.19 -0.459 . . . . 18.49 110.63 -179.994 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 12' ' ' PHE . . . . . 0.457 ' HB3' HD21 ' A' ' 69' ' ' LEU . 4.9 m-85 -70.54 -44.59 67.18 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.233 -0.439 . . . . 14.89 110.611 -179.979 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 3.3 mtpt -46.82 -36.53 7.51 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.213 -0.449 . . . . 18.39 110.572 -179.975 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 48.6 tt0 -67.13 -38.3 85.34 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.223 -0.444 . . . . 22.76 110.527 179.994 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -55.24 -58.2 8.67 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.226 -0.443 . . . . 5.67 110.559 179.977 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 16' ' ' PHE . . . . . 0.467 ' CE2' ' HB2' ' A' ' 20' ' ' ASP . 1.8 t80 -45.29 -56.77 4.54 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.197 -0.456 . . . . 13.28 110.526 179.95 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -47.8 -21.44 0.4 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.185 -0.461 . . . . 12.16 110.554 179.923 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 11.5 tp -78.28 -37.97 43.73 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.158 -0.474 . . . . 17.89 110.569 -179.998 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 25.8 m-85 -90.07 -50.36 6.05 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.265 -0.425 . . . . 9.14 110.609 179.975 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 20' ' ' ASP . . . . . 0.467 ' HB2' ' CE2' ' A' ' 16' ' ' PHE . 7.7 t70 -83.68 79.82 9.33 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.209 -0.451 . . . . 7.47 110.571 -179.977 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 1.9 ptmm? -77.11 -19.61 56.74 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.167 -0.47 . . . . 27.75 110.648 -179.956 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 2.4 p30 -81.27 -15.3 55.92 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.24 -0.437 . . . . 14.13 110.661 -179.884 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 60.67 40.47 98.03 Favored Glycine 0 CA--C 1.525 0.699 0 N-CA-C 110.968 -0.853 . . . . 11.51 110.968 -179.993 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 24' ' ' ASP . . . . . 0.529 ' OD2' ' O ' ' A' ' 24' ' ' ASP . 1.8 t0 -86.57 -26.69 24.36 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 120.759 0.314 . . . . 14.28 110.622 -179.972 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 105.13 -3.92 41.07 Favored Glycine 0 CA--C 1.525 0.688 0 N-CA-C 110.893 -0.883 . . . . 9.47 110.893 -179.994 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 2.5 p -146.23 142.47 28.41 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.802 0.334 . . . . 16.41 110.538 179.958 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 27' ' ' ILE . . . . . 0.523 ' H ' ' HB ' ' A' ' 63' ' ' ILE . 35.4 mt -104.78 130.07 56.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.184 -0.462 . . . . 8.03 110.612 179.997 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 69.5 p -99.24 175.27 5.94 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.196 -0.456 . . . . 7.8 110.555 -179.946 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 29' ' ' THR . . . . . 0.633 ' HA ' HD11 ' A' ' 52' ' ' ILE . 9.0 m -77.21 -46.11 24.33 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.215 -0.448 . . . . 10.04 110.596 179.988 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 15.7 tptp -54.24 -30.84 51.69 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.18 -0.464 . . . . 16.38 110.555 -179.918 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 31' ' ' GLU . . . . . 0.697 ' O ' HG23 ' A' ' 35' ' ' VAL . 56.8 mt-10 -85.32 -32.67 22.36 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.225 -0.443 . . . . 5.59 110.55 179.972 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 1.1 tt -65.39 -59.84 3.6 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.188 -0.46 . . . . 7.72 110.599 -179.949 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -50.31 -52.77 26.62 Favored Glycine 0 CA--C 1.525 0.656 0 N-CA-C 110.993 -0.843 . . . . 6.93 110.993 179.992 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 22.5 m -44.51 -36.04 2.78 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.82 0.343 . . . . 9.63 110.593 179.965 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 35' ' ' VAL . . . . . 0.697 HG23 ' O ' ' A' ' 31' ' ' GLU . 58.8 t -69.4 -42.75 81.18 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.2 -0.454 . . . . 7.07 110.62 -179.965 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 36' ' ' MET . . . . . 0.492 ' O ' ' N ' ' A' ' 39' ' ' LEU . 0.0 OUTLIER -71.83 -54.05 11.37 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.2 -0.455 . . . . 10.12 110.54 179.976 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 7.3 ttp180 -47.99 -29.76 3.73 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.162 -0.472 . . . . 9.87 110.548 -179.965 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -84.62 -19.42 33.0 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.224 -0.443 . . . . 8.15 110.542 -179.987 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 39' ' ' LEU . . . . . 0.492 ' N ' ' O ' ' A' ' 36' ' ' MET . 14.2 mt -81.7 10.94 5.28 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.193 -0.458 . . . . 12.78 110.583 179.981 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 82.63 -0.16 89.56 Favored Glycine 0 CA--C 1.525 0.682 0 N-CA-C 110.94 -0.864 . . . . 9.6 110.94 179.991 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 12.4 tt0 -90.62 152.51 20.84 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.822 0.344 . . . . 20.35 110.582 -179.963 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 95.9 m-20 -126.57 80.07 70.41 Favored Pre-proline 0 C--N 1.33 -0.265 0 CA-C-N 116.156 -0.474 . . . . 10.22 110.487 179.981 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 60.6 Cg_endo -78.32 137.63 15.18 Favored 'Trans proline' 0 C--N 1.306 -1.699 0 C-N-CA 122.822 2.348 . . . . 8.63 112.2 -179.901 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -80.02 168.98 18.49 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.105 -0.498 . . . . 4.83 110.546 179.946 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 37.3 mt-10 -60.47 -36.93 79.45 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.271 -0.422 . . . . 16.78 110.514 179.983 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -67.65 -23.07 65.3 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.216 -0.447 . . . . 4.8 110.525 -179.989 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 26.9 mt-10 -74.71 -57.94 3.6 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.204 -0.453 . . . . 6.18 110.534 -179.994 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 48' ' ' LEU . . . . . 0.486 HD13 ' HA ' ' A' ' 48' ' ' LEU . 3.7 mm? -51.37 -54.2 28.82 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.185 -0.462 . . . . 6.65 110.559 -179.999 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 26.3 mt-30 -52.82 -34.92 56.14 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.194 -0.457 . . . . 7.05 110.503 179.924 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 68.9 m-20 -73.22 -31.22 64.03 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.181 -0.463 . . . . 6.72 110.501 179.992 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 51' ' ' MET . . . . . 0.611 ' O ' HG22 ' A' ' 55' ' ' VAL . 5.5 tpt -78.08 -61.21 2.07 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.202 -0.454 . . . . 13.6 110.543 -179.99 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 52' ' ' ILE . . . . . 0.633 HD11 ' HA ' ' A' ' 29' ' ' THR . 6.1 mm -49.34 -52.25 11.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.168 -0.469 . . . . 8.71 110.533 179.971 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 14.0 t30 -57.33 -41.25 79.61 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.286 -0.416 . . . . 9.04 110.548 179.972 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 3.7 mm-40 -58.37 -49.84 75.79 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.179 -0.464 . . . . 23.58 110.744 -179.835 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 55' ' ' VAL . . . . . 0.611 HG22 ' O ' ' A' ' 51' ' ' MET . 0.0 OUTLIER -80.67 -0.31 4.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.268 -0.423 . . . . 7.6 110.695 -179.891 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 36.2 t0 -107.65 110.01 21.77 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.241 -0.436 . . . . 12.55 110.52 179.983 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -82.76 -44.65 15.34 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.146 -0.479 . . . . 15.13 110.58 -179.991 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 16.2 m-20 -76.65 -10.81 59.65 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.25 -0.432 . . . . 14.32 110.576 179.984 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 53.9 21.28 16.06 Favored Glycine 0 CA--C 1.524 0.645 0 N-CA-C 110.962 -0.855 . . . . 13.64 110.962 -179.972 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 60' ' ' ASP . . . . . 0.587 ' OD2' ' N ' ' A' ' 60' ' ' ASP . 7.6 p-10 -73.55 -20.76 60.55 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-O 120.839 0.352 . . . . 13.27 110.594 179.98 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 104.97 29.64 5.13 Favored Glycine 0 CA--C 1.524 0.638 0 N-CA-C 110.914 -0.875 . . . . 11.65 110.914 179.968 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 62' ' ' THR . . . . . 0.406 ' OG1' ' OD1' ' A' ' 60' ' ' ASP . 0.1 OUTLIER -149.21 150.73 33.09 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.826 0.346 . . . . 11.55 110.559 179.992 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 63' ' ' ILE . . . . . 0.551 HD12 ' HB ' ' A' ' 55' ' ' VAL . 46.4 mm -101.47 137.28 29.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.181 -0.463 . . . . 10.06 110.532 -179.956 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 64' ' ' ASP . . . . . 0.542 ' CG ' ' OE2' ' A' ' 67' ' ' GLU . 0.8 OUTLIER -113.4 -173.3 2.24 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.275 -0.42 . . . . 11.33 110.634 -179.934 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 65' ' ' PHE . . . . . 0.516 ' N ' ' HD2' ' A' ' 66' ' ' PRO . 0.3 OUTLIER -85.17 -46.72 0.64 Allowed Pre-proline 0 C--N 1.33 -0.244 0 CA-C-N 116.278 -0.419 . . . . 7.4 111.428 -179.624 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 66' ' ' PRO . . . . . 0.516 ' HD2' ' N ' ' A' ' 65' ' ' PHE . 56.1 Cg_endo -76.46 -24.77 10.29 Favored 'Trans proline' 0 C--N 1.31 -1.473 0 C-N-CA 122.295 1.997 . . . . 6.66 112.409 -179.466 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 67' ' ' GLU . . . . . 0.542 ' OE2' ' CG ' ' A' ' 64' ' ' ASP . 9.8 pt-20 -91.59 -19.68 22.47 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.392 -0.367 . . . . 7.44 110.453 179.896 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 68' ' ' PHE . . . . . 0.468 ' CB ' ' O ' ' A' ' 64' ' ' ASP . 36.0 t80 -82.9 -30.78 28.23 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.215 -0.448 . . . . 8.58 110.528 179.882 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 69' ' ' LEU . . . . . 0.516 HD12 ' O ' ' A' ' 65' ' ' PHE . 10.8 mt -83.73 -38.85 20.86 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.165 -0.47 . . . . 9.43 110.337 179.576 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 31.8 m -57.32 -52.82 63.8 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.051 -0.522 . . . . 7.53 110.595 -179.977 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 71' ' ' MET . . . . . 0.567 ' C ' ' SD ' ' A' ' 71' ' ' MET . 0.1 OUTLIER -47.97 -49.58 30.17 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.205 -0.452 . . . . 11.86 110.551 179.963 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 72' ' ' MET . . . . . . . . . . . . . 3.0 mmt -72.38 -46.29 56.0 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.192 -0.458 . . . . 22.32 110.551 179.985 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -56.34 -53.45 57.22 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.214 -0.448 . . . . 9.15 110.601 179.989 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 53.7 ttp180 -45.28 -39.7 6.82 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.233 -0.439 . . . . 13.8 110.525 -179.979 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 75' ' ' LYS . . . . . 0.55 ' O ' ' OD1' ' A' ' 78' ' ' ASP . 0.6 OUTLIER -50.97 -45.09 60.77 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.202 -0.453 . . . . 25.18 110.542 179.947 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 76' ' ' MET . . . . . . . . . . . . . 12.7 mtt -66.58 -21.41 66.14 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.169 -0.469 . . . . 34.79 110.542 -179.965 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 19.6 tttm -107.24 38.61 2.08 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.174 -0.467 . . . . 37.65 110.595 179.996 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 78' ' ' ASP . . . . . 0.55 ' OD1' ' O ' ' A' ' 75' ' ' LYS . 2.0 p-10 -160.65 -174.85 4.65 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.197 -0.456 . . . . 42.58 110.566 -179.976 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 23.6 p -72.16 162.87 28.85 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.162 -0.472 . . . . 38.4 110.549 -179.977 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -124.78 149.36 47.45 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.241 -0.436 . . . . 37.51 110.622 179.949 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 4.9 p -117.08 132.23 56.73 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.225 -0.443 . . . . 33.12 110.595 -179.997 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -71.07 -10.31 59.54 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.231 -0.441 . . . . 34.28 110.586 179.974 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 46.4 mt-10 -60.14 -53.84 53.01 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.186 -0.461 . . . . 30.91 110.575 -179.997 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 24.1 tt0 -65.39 -46.11 81.39 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.186 -0.461 . . . . 22.86 110.601 -179.986 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 85' ' ' ILE . . . . . . . . . . . . . 52.1 mt -52.65 -24.3 6.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.206 -0.452 . . . . 19.17 110.556 179.992 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 4.1 mmm180 -79.25 -51.38 9.54 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.169 -0.469 . . . . 26.85 110.54 -179.983 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 87' ' ' GLU . . . . . 0.59 ' O ' HG23 ' A' ' 91' ' ' VAL . 67.7 mm-40 -56.47 -62.46 1.71 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.254 -0.43 . . . . 16.48 110.556 -180.0 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 88' ' ' ALA . . . . . 0.472 ' O ' ' CD2' ' A' ' 92' ' ' PHE . . . -48.12 -36.72 13.85 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.198 -0.456 . . . . 9.91 110.521 179.972 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 50.3 t80 -70.58 -57.56 4.61 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.19 -0.459 . . . . 8.53 110.488 -179.964 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 11.7 mmm180 -57.18 -18.57 16.13 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.16 -0.473 . . . . 17.58 110.587 179.925 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 91' ' ' VAL . . . . . 0.59 HG23 ' O ' ' A' ' 87' ' ' GLU . 43.1 t -77.37 -17.87 14.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.155 -0.475 . . . . 7.82 110.658 -179.9 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 92' ' ' PHE . . . . . 0.472 ' CD2' ' O ' ' A' ' 88' ' ' ALA . 46.6 m-85 -95.36 -53.87 3.61 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.343 -0.39 . . . . 9.11 110.673 -179.882 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 93' ' ' ASP . . . . . 0.573 ' OD2' ' O ' ' A' ' 99' ' ' TYR . 3.3 t0 -76.24 68.74 2.69 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.267 -0.424 . . . . 11.11 110.703 -179.815 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 24.5 mtpp -50.17 -18.39 0.57 Allowed 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.194 -0.457 . . . . 14.57 110.968 -179.712 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -82.95 -15.4 51.44 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.879 0.371 . . . . 10.2 110.588 -179.935 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 60.4 42.04 98.77 Favored Glycine 0 CA--C 1.525 0.668 0 N-CA-C 110.977 -0.849 . . . . 6.24 110.977 -179.916 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 97' ' ' ASN . . . . . 0.549 ' CG ' ' CE2' ' A' ' 99' ' ' TYR . 0.2 OUTLIER -97.39 6.35 48.38 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.98 0.419 . . . . 7.56 110.374 179.847 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . 72.17 4.65 60.27 Favored Glycine 0 CA--C 1.524 0.646 0 N-CA-C 110.96 -0.856 . . . . 7.08 110.96 -179.976 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 99' ' ' TYR . . . . . 0.573 ' O ' ' OD2' ' A' ' 93' ' ' ASP . 11.8 p90 -154.46 150.23 27.62 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.851 0.357 . . . . 9.0 110.551 179.942 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 100' ' ' ILE . . . . . 0.548 ' N ' HD13 ' A' ' 100' ' ' ILE . 0.0 OUTLIER -119.66 128.36 75.89 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.199 -0.455 . . . . 9.29 110.561 -179.996 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 101' ' ' SER . . . . . 0.567 ' O ' ' N ' ' A' ' 104' ' ' GLU . 5.2 p -89.23 151.8 21.94 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.217 -0.447 . . . . 7.02 110.655 -179.976 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 102' ' ' ALA . . . . . 0.434 ' HB2' HD12 ' A' ' 125' ' ' ILE . . . -42.85 -19.4 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.112 -0.494 . . . . 6.41 110.597 -179.935 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 103' ' ' ALA . . . . . 0.513 ' N ' ' O ' ' A' ' 101' ' ' SER . . . -83.43 -31.83 26.41 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.263 -0.426 . . . . 5.01 110.608 -179.977 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 104' ' ' GLU . . . . . 0.567 ' N ' ' O ' ' A' ' 101' ' ' SER . 32.2 mt-10 -85.31 -54.35 4.65 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.193 -0.458 . . . . 6.84 110.632 -179.957 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 105' ' ' LEU . . . . . 0.407 ' HA ' HD12 ' A' ' 105' ' ' LEU . 44.7 tp -50.16 -51.09 46.49 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.204 -0.453 . . . . 4.99 110.646 -179.945 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 106' ' ' ARG . . . . . 0.572 ' HB2' HG11 ' A' ' 121' ' ' VAL . 63.5 ttt-85 -65.94 -42.45 90.0 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.269 -0.423 . . . . 15.24 110.65 -179.965 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 107' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -51.24 -42.99 61.39 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.18 -0.464 . . . . 15.69 110.626 179.977 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 108' ' ' VAL . . . . . . . . . . . . . 39.2 t -78.12 -58.31 4.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.232 -0.44 . . . . 12.28 110.638 -179.98 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 109' ' ' MET . . . . . . . . . . . . . 14.6 mtp -58.87 -15.06 10.8 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.202 -0.454 . . . . 9.53 110.658 -179.931 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 110' ' ' THR . . . . . 0.551 ' OG1' ' O ' ' A' ' 106' ' ' ARG . 12.8 m -80.43 -44.86 18.58 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.229 -0.441 . . . . 11.87 110.636 -179.912 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 111' ' ' ASN . . . . . . . . . . . . . 44.3 t30 -72.31 -9.81 58.97 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.237 -0.438 . . . . 21.65 110.576 -179.951 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -50.43 -21.73 1.59 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.191 -0.458 . . . . 19.55 110.507 -179.975 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . 115.4 -0.82 22.18 Favored Glycine 0 CA--C 1.524 0.651 0 N-CA-C 110.839 -0.904 . . . . 19.66 110.839 -179.826 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 20.8 tt0 -124.73 132.5 53.37 Favored 'General case' 0 C--N 1.33 -0.282 0 N-CA-C 110.216 -0.29 . . . . 25.55 110.216 179.609 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 49.3 mtpt -81.64 116.66 21.48 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.805 0.336 . . . . 23.26 110.615 -179.951 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 116' ' ' LEU . . . . . . . . . . . . . 2.5 mt -105.94 132.81 51.58 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.158 -0.474 . . . . 23.07 110.508 179.96 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 117' ' ' THR . . . . . 0.537 ' OG1' ' OE2' ' A' ' 120' ' ' GLU . 35.4 p -69.26 148.7 49.43 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.172 -0.467 . . . . 19.41 110.593 -179.941 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 118' ' ' ASP . . . . . . . . . . . . . 27.2 t70 -65.74 -52.39 51.54 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.217 -0.447 . . . . 18.08 110.494 -179.964 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 119' ' ' GLU . . . . . 0.45 ' O ' ' CB ' ' A' ' 123' ' ' GLU . 23.7 tt0 -44.88 -24.33 0.2 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.229 -0.441 . . . . 20.16 110.509 179.997 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 120' ' ' GLU . . . . . 0.537 ' OE2' ' OG1' ' A' ' 117' ' ' THR . 59.4 mt-10 -85.24 -50.41 7.39 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.168 -0.469 . . . . 14.19 110.539 179.91 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 121' ' ' VAL . . . . . 0.572 HG11 ' HB2' ' A' ' 106' ' ' ARG . 58.9 t -67.38 -60.83 2.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.227 -0.442 . . . . 14.97 110.569 179.978 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 122' ' ' ASP . . . . . 0.402 ' OD2' ' C ' ' A' ' 122' ' ' ASP . 49.2 t0 -49.7 -53.78 22.63 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.233 -0.439 . . . . 20.12 110.564 179.966 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 123' ' ' GLU . . . . . 0.663 ' O ' ' N ' ' A' ' 127' ' ' GLU . 24.6 tt0 -54.69 -52.58 61.96 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.209 -0.45 . . . . 15.72 110.595 179.989 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 124' ' ' MET . . . . . 0.557 ' O ' ' N ' ' A' ' 128' ' ' ALA . 11.4 tpt -46.26 -60.45 2.31 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.194 -0.457 . . . . 9.75 110.582 179.978 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 125' ' ' ILE . . . . . 0.434 HD12 ' HB2' ' A' ' 102' ' ' ALA . 92.7 mt -50.96 -53.14 15.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.206 -0.452 . . . . 11.99 110.546 -179.976 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 126' ' ' ARG . . . . . . . . . . . . . 2.9 tpt180 -71.13 -20.08 62.36 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.228 -0.442 . . . . 27.23 110.511 179.928 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 127' ' ' GLU . . . . . 0.663 ' N ' ' O ' ' A' ' 123' ' ' GLU . 1.6 tt0 -90.13 -21.89 22.02 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.127 -0.488 . . . . 15.5 110.515 -179.986 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 128' ' ' ALA . . . . . 0.557 ' N ' ' O ' ' A' ' 124' ' ' MET . . . -100.36 -34.5 9.95 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.148 -0.478 . . . . 10.5 110.512 179.871 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 129' ' ' ASP . . . . . 0.573 ' OD1' ' OE2' ' A' ' 140' ' ' GLU . 43.4 m-20 -60.79 98.94 0.08 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.155 -0.475 . . . . 10.86 110.646 -179.986 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 130' ' ' ILE . . . . . 0.543 HD13 ' OE1' ' A' ' 143' ' ' GLN . 1.4 mp -48.25 -26.35 1.29 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.351 0 CA-C-N 116.187 -0.46 . . . . 12.26 110.755 -179.684 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 131' ' ' ASP . . . . . 0.4 ' OD1' ' N ' ' A' ' 131' ' ' ASP . 2.5 p30 -104.21 -18.43 14.49 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.845 0.355 . . . . 7.79 110.559 179.915 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 132' ' ' GLY . . . . . 0.557 ' H ' ' HB3' ' A' ' 129' ' ' ASP . . . 64.11 67.49 2.03 Favored Glycine 0 CA--C 1.525 0.696 0 N-CA-C 110.926 -0.87 . . . . 3.93 110.926 179.991 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 133' ' ' ASP . . . . . . . . . . . . . 69.3 m-20 -100.94 3.16 41.44 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.731 0.3 . . . . 9.56 110.618 -179.924 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 134' ' ' GLY . . . . . . . . . . . . . . . 79.45 2.09 87.23 Favored Glycine 0 CA--C 1.525 0.659 0 N-CA-C 110.987 -0.845 . . . . 7.32 110.987 179.998 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 135' ' ' GLN . . . . . 0.572 ' O ' ' OD2' ' A' ' 129' ' ' ASP . 0.0 OUTLIER -149.22 167.31 26.36 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.777 0.323 . . . . 22.05 110.468 -179.99 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 136' ' ' VAL . . . . . . . . . . . . . 31.4 t -109.61 134.66 50.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.244 -0.434 . . . . 10.34 110.539 -179.983 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 137' ' ' ASN . . . . . 0.489 ' OD1' ' NE2' ' A' ' 135' ' ' GLN . 92.0 m-20 -109.91 159.49 17.2 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.195 -0.457 . . . . 12.02 110.361 179.63 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 138' ' ' TYR . . . . . . . . . . . . . 82.3 t80 -54.79 -36.43 64.91 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.418 -0.355 . . . . 8.75 110.472 179.953 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 139' ' ' GLU . . . . . . . . . . . . . 29.2 tt0 -61.07 -42.0 97.68 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.205 -0.452 . . . . 22.33 110.49 179.939 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 140' ' ' GLU . . . . . 0.573 ' OE2' ' OD1' ' A' ' 129' ' ' ASP . 83.6 mt-10 -64.52 -37.58 88.02 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.212 -0.449 . . . . 13.45 110.511 179.937 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 141' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -50.03 -38.05 35.91 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.141 -0.481 . . . . 8.25 110.424 -179.985 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 142' ' ' VAL . . . . . . . . . . . . . 84.0 t -77.74 -28.38 15.67 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.172 -0.467 . . . . 10.15 110.528 179.935 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 143' ' ' GLN . . . . . 0.551 ' O ' ' OG1' ' A' ' 146' ' ' THR . 33.2 mt-30 -63.75 -60.16 3.65 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.191 -0.459 . . . . 8.24 110.554 -179.986 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 144' ' ' MET . . . . . 0.511 ' SD ' ' O ' ' A' ' 144' ' ' MET . 0.0 OUTLIER -56.23 -24.73 44.18 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.261 -0.427 . . . . 6.68 110.542 179.94 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 145' ' ' MET . . . . . . . . . . . . . 12.2 ttt -71.45 -1.95 14.98 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.144 -0.48 . . . . 13.37 110.595 179.986 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 146' ' ' THR . . . . . 0.551 ' OG1' ' O ' ' A' ' 143' ' ' GLN . 70.2 p -111.36 -9.87 14.24 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.146 -0.479 . . . . 10.78 110.523 179.969 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 147' ' ' ALA . . . . . . . . . . . . . . . -67.42 113.25 5.14 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.21 -0.45 . . . . 18.52 110.598 -179.998 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 148' ' ' LYS . . . . . 0.442 ' HB2' ' NZ ' ' A' ' 148' ' ' LYS . 2.8 mtmp? . . . . . 0 C--O 1.22 -0.462 0 CA-C-O 118.037 -0.982 . . . . 23.42 110.539 -179.934 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 401' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 402' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 403' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 404' ' ' ' TB' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 3.8 mt-30 . . . . . 0 C--O 1.231 0.099 0 CA-C-O 120.822 0.344 . . . . 23.46 110.601 . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 4' ' ' LEU . . . . . 0.843 HD22 ' N ' ' A' ' 4' ' ' LEU . 1.3 mm? -91.64 128.54 37.52 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.194 -0.457 . . . . 14.38 110.565 -179.954 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 5' ' ' THR . . . . . 0.567 ' OG1' ' OE1' ' A' ' 8' ' ' GLN . 1.5 p -77.61 169.33 18.49 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.13 -0.486 . . . . 7.34 110.443 179.869 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 2.8 mt-10 -47.06 -47.31 22.7 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.307 -0.406 . . . . 7.12 110.562 -179.992 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 7' ' ' GLU . . . . . 0.619 ' N ' ' OE2' ' A' ' 7' ' ' GLU . 2.0 mp0 -57.19 -30.76 64.79 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.148 -0.478 . . . . 6.85 110.607 179.974 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 8' ' ' GLN . . . . . 0.634 ' N ' ' CD ' ' A' ' 8' ' ' GLN . 1.5 mp0 -90.75 -56.84 3.03 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.184 -0.462 . . . . 15.1 110.603 -179.982 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 9' ' ' ILE . . . . . 0.802 HD11 ' O ' ' A' ' 4' ' ' LEU . 31.1 mt -45.69 -31.12 1.06 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.236 -0.438 . . . . 4.72 110.527 179.951 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -76.09 -52.2 10.65 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.156 -0.474 . . . . 6.68 110.536 179.942 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 12.1 tt0 -43.87 -52.2 6.96 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.163 -0.471 . . . . 18.49 110.64 -179.917 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 12' ' ' PHE . . . . . 0.766 ' CD2' HD21 ' A' ' 69' ' ' LEU . 48.6 m-85 -60.33 -50.15 74.77 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.342 -0.39 . . . . 14.89 110.519 -179.921 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 39.8 mttt -46.89 -37.66 9.21 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.292 -0.413 . . . . 18.39 110.526 179.995 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 6.8 tp10 -51.18 -50.83 58.23 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.199 -0.455 . . . . 22.76 110.563 179.911 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -45.86 -58.21 3.71 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.223 -0.444 . . . . 5.67 110.602 179.917 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 16' ' ' PHE . . . . . 0.685 ' CE2' ' OD1' ' A' ' 20' ' ' ASP . 22.0 t80 -57.14 -19.99 23.43 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.149 -0.478 . . . . 13.28 110.492 179.918 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 4.8 p -85.41 -21.22 28.9 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.137 -0.483 . . . . 12.16 110.562 179.945 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 1.9 mm? -90.65 -34.27 15.5 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.163 -0.471 . . . . 17.89 110.585 179.955 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 19' ' ' PHE . . . . . 0.414 ' O ' ' N ' ' A' ' 21' ' ' LYS . 28.2 m-85 -87.4 -50.14 6.76 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.186 -0.461 . . . . 9.14 110.632 -179.912 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 20' ' ' ASP . . . . . 0.685 ' OD1' ' CE2' ' A' ' 16' ' ' PHE . 3.8 t70 -68.08 68.38 0.12 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.226 -0.443 . . . . 7.47 110.581 -179.949 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 21' ' ' LYS . . . . . 0.414 ' N ' ' O ' ' A' ' 19' ' ' PHE . 1.1 ptmm? -75.1 -19.59 59.87 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.182 -0.463 . . . . 27.75 110.665 -179.972 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 22' ' ' ASP . . . . . 0.424 ' OD1' ' OE1' ' A' ' 31' ' ' GLU . 34.2 m-20 -88.28 -15.16 36.53 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.222 -0.445 . . . . 14.13 110.613 -179.932 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 55.53 32.85 58.44 Favored Glycine 0 CA--C 1.525 0.689 0 N-CA-C 110.915 -0.874 . . . . 11.51 110.915 179.997 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 24' ' ' ASP . . . . . 0.456 ' OD2' ' N ' ' A' ' 25' ' ' GLY . 37.4 p30 -76.34 -27.16 56.37 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 120.771 0.32 . . . . 14.28 110.573 -179.961 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 25' ' ' GLY . . . . . 0.456 ' N ' ' OD2' ' A' ' 24' ' ' ASP . . . 105.1 -4.19 41.27 Favored Glycine 0 CA--C 1.524 0.629 0 N-CA-C 110.918 -0.873 . . . . 9.47 110.918 -179.957 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 26' ' ' THR . . . . . 0.408 ' O ' ' OD1' ' A' ' 24' ' ' ASP . 41.9 p -148.69 136.81 20.97 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.782 0.325 . . . . 16.41 110.595 179.969 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 27' ' ' ILE . . . . . 0.662 ' HB ' HD12 ' A' ' 63' ' ' ILE . 0.6 OUTLIER -97.7 125.74 50.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.212 -0.449 . . . . 8.03 110.515 179.98 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 7.3 p -103.08 172.74 6.64 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.254 -0.43 . . . . 7.8 110.578 -179.922 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 29' ' ' THR . . . . . 0.695 HG22 HD23 ' A' ' 48' ' ' LEU . 6.2 m -75.89 -28.94 58.29 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.168 -0.469 . . . . 10.04 110.55 -179.987 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 19.8 tttm -70.51 -29.79 66.39 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.176 -0.465 . . . . 16.38 110.628 -179.983 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 31' ' ' GLU . . . . . 0.424 ' OE1' ' OD1' ' A' ' 22' ' ' ASP . 75.0 mt-10 -85.38 -30.88 23.27 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.205 -0.452 . . . . 5.59 110.549 -179.972 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 32' ' ' LEU . . . . . 0.489 HD22 ' HA ' ' A' ' 32' ' ' LEU . 0.2 OUTLIER -64.43 -59.9 3.8 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.198 -0.455 . . . . 7.72 110.604 180.0 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -50.92 -50.55 37.88 Favored Glycine 0 CA--C 1.524 0.651 0 N-CA-C 110.91 -0.876 . . . . 6.93 110.91 179.995 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 99.0 m -44.07 -42.54 6.25 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.836 0.35 . . . . 9.63 110.556 -179.995 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 84.7 t -63.88 -44.71 98.14 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.151 -0.477 . . . . 7.07 110.542 179.972 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 36' ' ' MET . . . . . . . . . . . . . 5.2 mmt -66.09 -29.87 70.28 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.149 -0.478 . . . . 10.12 110.51 179.984 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 37' ' ' ARG . . . . . 0.437 HH11 ' HD2' ' A' ' 43' ' ' PRO . 14.6 tpp85 -63.2 -25.62 68.42 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.15 -0.477 . . . . 9.87 110.529 179.999 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 3.6 m -83.36 -19.16 36.61 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.179 -0.464 . . . . 8.15 110.504 179.948 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 21.1 mt -91.07 15.15 12.19 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.168 -0.469 . . . . 12.78 110.528 179.927 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 68.91 25.06 75.57 Favored Glycine 0 CA--C 1.525 0.665 0 N-CA-C 110.897 -0.881 . . . . 9.6 110.897 179.974 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 5.3 mm-40 -102.96 152.3 21.47 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.775 0.321 . . . . 20.35 110.581 -179.989 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 20.0 m120 -126.47 79.98 70.13 Favored Pre-proline 0 C--N 1.328 -0.336 0 CA-C-N 116.152 -0.476 . . . . 10.22 110.531 -179.997 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 43' ' ' PRO . . . . . 0.437 ' HD2' HH11 ' A' ' 37' ' ' ARG . 59.7 Cg_endo -77.93 141.45 19.0 Favored 'Trans proline' 0 C--N 1.306 -1.705 0 C-N-CA 122.715 2.277 . . . . 8.63 112.21 -179.944 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 44.3 p -96.78 151.1 19.97 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.176 -0.466 . . . . 4.83 110.59 179.997 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 45.9 tt0 -48.44 -43.33 34.31 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.206 -0.452 . . . . 16.78 110.576 179.968 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -68.27 -38.07 81.35 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.189 -0.46 . . . . 4.8 110.577 179.997 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 47' ' ' GLU . . . . . 0.53 ' C ' ' OE1' ' A' ' 47' ' ' GLU . 0.1 OUTLIER -70.69 -60.81 2.04 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.173 -0.467 . . . . 6.18 110.545 -179.982 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 48' ' ' LEU . . . . . 0.695 HD23 HG22 ' A' ' 29' ' ' THR . 14.9 tp -50.94 -20.71 1.42 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.221 -0.445 . . . . 6.65 110.601 -179.978 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 5.4 tp60 -68.33 -50.78 51.0 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.163 -0.471 . . . . 7.05 110.553 179.982 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 20.9 t0 -52.01 -31.66 30.6 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.192 -0.458 . . . . 6.72 110.571 179.967 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 51' ' ' MET . . . . . . . . . . . . . 6.1 tpt -72.31 -59.47 2.72 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.199 -0.455 . . . . 13.6 110.563 179.944 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 52' ' ' ILE . . . . . 0.614 ' O ' ' N ' ' A' ' 56' ' ' ASP . 4.7 mm -48.95 -44.33 15.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.185 -0.461 . . . . 8.71 110.552 179.995 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 6.9 m-20 -61.67 -44.3 97.21 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.245 -0.434 . . . . 9.04 110.529 179.968 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -51.2 -46.28 62.13 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.235 -0.439 . . . . 23.58 110.56 -179.931 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 55' ' ' VAL . . . . . 0.432 HG21 HD13 ' A' ' 63' ' ' ILE . 1.1 m -93.18 -21.77 5.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.225 -0.443 . . . . 7.6 110.565 179.999 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 56' ' ' ASP . . . . . 0.614 ' N ' ' O ' ' A' ' 52' ' ' ILE . 38.3 t0 -107.62 82.42 1.66 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.186 -0.461 . . . . 12.55 110.587 179.931 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -77.14 -24.87 51.57 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.179 -0.464 . . . . 15.13 110.594 -179.995 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 58' ' ' ASP . . . . . 0.54 ' OD2' ' OE1' ' A' ' 67' ' ' GLU . 0.8 OUTLIER -80.64 -11.01 59.7 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.219 -0.446 . . . . 14.32 110.609 179.988 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 44.09 20.17 0.16 Allowed Glycine 0 CA--C 1.525 0.661 0 N-CA-C 110.932 -0.867 . . . . 13.64 110.932 179.969 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 60' ' ' ASP . . . . . 0.463 ' OD2' ' N ' ' A' ' 60' ' ' ASP . 22.9 p-10 -61.3 -8.21 3.61 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.784 0.326 . . . . 13.27 110.581 179.983 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 99.71 -10.07 60.63 Favored Glycine 0 CA--C 1.524 0.629 0 N-CA-C 110.973 -0.851 . . . . 11.65 110.973 -179.988 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -127.95 169.39 14.04 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.772 0.32 . . . . 11.55 110.621 179.979 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 63' ' ' ILE . . . . . 0.662 HD12 ' HB ' ' A' ' 27' ' ' ILE . 74.6 mt -120.58 109.3 25.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.24 -0.436 . . . . 10.06 110.606 -179.97 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 64' ' ' ASP . . . . . 0.659 ' OD2' ' N ' ' A' ' 64' ' ' ASP . 0.0 OUTLIER -78.69 145.67 34.42 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.165 -0.471 . . . . 11.33 110.334 179.904 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 65' ' ' PHE . . . . . 0.625 ' N ' ' CD ' ' A' ' 66' ' ' PRO . 0.2 OUTLIER -64.77 -39.38 38.58 Favored Pre-proline 0 C--N 1.33 -0.248 0 CA-C-N 116.496 -0.32 . . . . 7.4 110.971 -179.668 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 66' ' ' PRO . . . . . 0.625 ' CD ' ' N ' ' A' ' 65' ' ' PHE . 51.3 Cg_exo -51.21 -44.58 42.02 Favored 'Trans proline' 0 C--N 1.309 -1.512 0 C-N-CA 122.276 1.984 . . . . 6.66 111.749 179.758 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 67' ' ' GLU . . . . . 0.553 ' OE2' ' OD2' ' A' ' 64' ' ' ASP . 6.0 mt-10 -81.37 -16.57 51.87 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.055 -0.521 . . . . 7.44 110.411 179.84 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 68' ' ' PHE . . . . . . . . . . . . . 20.9 t80 -71.11 -25.42 62.58 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.135 -0.484 . . . . 8.58 110.504 179.863 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 69' ' ' LEU . . . . . 0.766 HD21 ' CD2' ' A' ' 12' ' ' PHE . 0.5 OUTLIER -83.41 -40.49 19.29 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.141 -0.481 . . . . 9.43 110.488 179.708 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 70' ' ' THR . . . . . 0.436 ' CG2' ' N ' ' A' ' 71' ' ' MET . 0.7 OUTLIER -68.47 -37.05 79.8 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.241 -0.436 . . . . 7.53 110.539 -179.832 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 71' ' ' MET . . . . . 0.621 ' C ' ' SD ' ' A' ' 71' ' ' MET . 0.0 OUTLIER -60.94 -34.72 75.15 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.215 -0.448 . . . . 11.86 110.451 179.92 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 72' ' ' MET . . . . . 0.431 ' N ' ' HG3' ' A' ' 71' ' ' MET . 0.5 OUTLIER -81.83 -48.8 11.13 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.161 -0.472 . . . . 22.32 110.555 179.943 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -61.66 -55.84 26.16 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.194 -0.457 . . . . 9.15 110.52 -179.982 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 37.5 ttm180 -46.59 -40.68 13.27 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.258 -0.428 . . . . 13.8 110.565 -179.984 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 4.2 tppt? -51.2 -50.61 58.74 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.218 -0.446 . . . . 25.18 110.563 179.994 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 76' ' ' MET . . . . . . . . . . . . . 11.3 mtp -59.12 -27.56 65.72 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.174 -0.466 . . . . 34.79 110.618 -179.975 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 18.4 mmtp -94.32 39.95 1.09 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.172 -0.467 . . . . 37.65 110.615 -179.941 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 5.2 m-20 -157.41 174.98 14.59 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.184 -0.462 . . . . 42.58 110.542 -179.98 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 6.2 t -72.2 158.96 34.91 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.166 -0.47 . . . . 38.4 110.551 179.986 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 4.8 p-10 -130.56 157.46 42.64 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.236 -0.438 . . . . 37.51 110.578 -179.993 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -113.41 128.11 56.34 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.155 -0.475 . . . . 33.12 110.542 -179.972 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 16.4 pt-20 -55.69 -10.41 0.7 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.205 -0.452 . . . . 34.28 110.597 179.966 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 43.9 mm-40 -60.64 -60.42 3.83 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.197 -0.456 . . . . 30.91 110.615 179.976 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 84' ' ' GLU . . . . . 0.739 ' OE1' ' HB2' ' A' ' 88' ' ' ALA . 2.9 tm-20 -47.46 -57.45 5.33 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.202 -0.454 . . . . 22.86 110.578 -179.938 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 85' ' ' ILE . . . . . . . . . . . . . 3.7 mt -42.98 -26.46 0.19 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.232 -0.44 . . . . 19.17 110.554 -179.957 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 4.2 tpp180 -83.34 -52.07 6.87 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.241 -0.436 . . . . 26.85 110.551 179.963 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 87' ' ' GLU . . . . . 0.951 ' O ' HG23 ' A' ' 91' ' ' VAL . 1.4 tt0 -66.65 -48.18 70.22 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.181 -0.463 . . . . 16.48 110.546 179.97 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 88' ' ' ALA . . . . . 0.739 ' HB2' ' OE1' ' A' ' 84' ' ' GLU . . . -55.71 -46.18 77.74 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.156 -0.474 . . . . 9.91 110.528 -179.999 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 30.7 t80 -74.23 -51.95 13.85 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.154 -0.475 . . . . 8.53 110.563 179.975 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 71.2 ttt180 -58.35 -18.64 29.06 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.137 -0.483 . . . . 17.58 110.627 179.952 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 91' ' ' VAL . . . . . 0.951 HG23 ' O ' ' A' ' 87' ' ' GLU . 4.6 t -68.39 -32.36 55.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.189 -0.46 . . . . 7.82 110.652 -179.975 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 92' ' ' PHE . . . . . 0.682 ' CD1' HG11 ' A' ' 108' ' ' VAL . 40.0 m-85 -94.47 -21.7 18.73 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.278 -0.419 . . . . 9.11 110.692 -179.955 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 93' ' ' ASP . . . . . 0.574 ' OD1' ' OD1' ' A' ' 97' ' ' ASN . 3.0 t70 -99.12 68.57 1.68 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.292 -0.413 . . . . 11.11 110.668 -179.927 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -49.11 -18.56 0.33 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.121 -0.49 . . . . 14.57 110.928 -179.699 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . 22.0 m-20 -75.43 -12.38 60.23 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.812 0.339 . . . . 10.2 110.662 -179.85 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 60.05 9.67 11.87 Favored Glycine 0 CA--C 1.525 0.664 0 N-CA-C 111.041 -0.824 . . . . 6.24 111.041 179.95 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 97' ' ' ASN . . . . . 0.783 ' ND2' ' CE1' ' A' ' 99' ' ' TYR . 19.7 p30 -76.83 -26.86 54.81 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.847 0.355 . . . . 7.56 110.483 179.859 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 98' ' ' GLY . . . . . 0.482 ' N ' ' OD1' ' A' ' 97' ' ' ASN . . . 92.58 30.25 9.99 Favored Glycine 0 CA--C 1.525 0.686 0 N-CA-C 111.28 -0.728 . . . . 7.08 111.28 179.661 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 99' ' ' TYR . . . . . 0.783 ' CE1' ' ND2' ' A' ' 97' ' ' ASN . 0.6 OUTLIER -153.8 135.15 14.16 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.824 0.345 . . . . 9.0 110.69 179.803 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 0.8 OUTLIER -122.09 120.21 60.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.107 -0.497 . . . . 9.29 110.425 179.85 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 10.8 m -85.17 151.47 24.08 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.312 -0.403 . . . . 7.02 110.753 -179.808 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -42.91 -34.34 0.95 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.085 -0.507 . . . . 6.41 110.584 -179.978 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -62.89 -60.05 4.0 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.273 -0.421 . . . . 5.01 110.573 179.984 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 40.4 mt-10 -57.5 -45.79 84.5 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.187 -0.46 . . . . 6.84 110.561 179.969 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 105' ' ' LEU . . . . . 0.481 HD13 ' O ' ' A' ' 105' ' ' LEU . 0.2 OUTLIER -47.76 -51.22 23.1 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.173 -0.467 . . . . 4.99 110.548 179.976 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 106' ' ' ARG . . . . . 0.709 ' HG3' HG11 ' A' ' 121' ' ' VAL . 35.8 mtp85 -65.19 -23.85 67.21 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.217 -0.447 . . . . 15.24 110.554 179.971 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 107' ' ' HIS . . . . . . . . . . . . . 9.6 t-80 -69.3 -38.82 78.46 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.185 -0.461 . . . . 15.69 110.495 -179.958 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 108' ' ' VAL . . . . . 0.682 HG11 ' CD1' ' A' ' 92' ' ' PHE . 4.0 t -79.22 -50.67 17.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.159 -0.473 . . . . 12.28 110.568 -179.988 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 109' ' ' MET . . . . . . . . . . . . . 41.5 mtt -64.73 -18.65 65.22 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.205 -0.452 . . . . 9.53 110.582 -179.931 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 110' ' ' THR . . . . . 0.542 ' OG1' ' O ' ' A' ' 106' ' ' ARG . 1.7 m -74.72 -46.07 39.95 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.294 -0.412 . . . . 11.87 110.612 -179.941 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 111' ' ' ASN . . . . . . . . . . . . . 6.8 t-20 -77.05 -9.81 58.96 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.237 -0.438 . . . . 21.65 110.524 179.977 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 112' ' ' LEU . . . . . 0.45 HD22 ' HA ' ' A' ' 112' ' ' LEU . 0.2 OUTLIER -56.83 -26.08 57.44 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.178 -0.464 . . . . 19.55 110.487 179.964 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . 115.4 -2.85 22.06 Favored Glycine 0 CA--C 1.525 0.713 0 N-CA-C 110.868 -0.893 . . . . 19.66 110.868 -179.857 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 24.2 mt-10 -124.13 124.69 43.05 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.746 0.307 . . . . 25.55 110.407 179.934 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -79.1 117.48 20.18 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.303 -0.408 . . . . 23.26 110.678 -179.993 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 116' ' ' LEU . . . . . . . . . . . . . 2.5 mt -111.32 134.9 52.57 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.165 -0.47 . . . . 23.07 110.517 179.973 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 117' ' ' THR . . . . . . . . . . . . . 3.0 m -69.35 156.05 39.43 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.186 -0.461 . . . . 19.41 110.568 -179.984 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 118' ' ' ASP . . . . . 0.464 ' OD2' ' N ' ' A' ' 118' ' ' ASP . 0.4 OUTLIER -67.27 -56.7 8.74 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.203 -0.453 . . . . 18.08 110.591 179.997 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 119' ' ' GLU . . . . . 0.478 ' O ' ' CG ' ' A' ' 123' ' ' GLU . 7.3 mt-10 -52.01 -20.32 2.35 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.162 -0.472 . . . . 20.16 110.531 179.971 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 120' ' ' GLU . . . . . . . . . . . . . 4.1 tm-20 -85.22 -39.12 18.14 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.198 -0.455 . . . . 14.19 110.566 -179.989 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 121' ' ' VAL . . . . . 0.709 HG11 ' HG3' ' A' ' 106' ' ' ARG . 44.5 t -81.82 -38.18 15.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.219 -0.446 . . . . 14.97 110.568 -179.958 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 122' ' ' ASP . . . . . . . . . . . . . 19.2 t70 -68.88 -55.73 10.15 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.175 -0.466 . . . . 20.12 110.602 179.965 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 123' ' ' GLU . . . . . 0.478 ' CG ' ' O ' ' A' ' 119' ' ' GLU . 15.1 mm-40 -55.69 -31.92 62.83 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.229 -0.441 . . . . 15.72 110.595 179.998 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 124' ' ' MET . . . . . . . . . . . . . 12.7 ttt -71.45 -62.04 1.55 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.204 -0.453 . . . . 9.75 110.58 179.95 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 125' ' ' ILE . . . . . 0.581 ' CG2' ' N ' ' A' ' 126' ' ' ARG . 9.0 tt -60.32 -44.99 97.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.229 -0.442 . . . . 11.99 110.561 -179.975 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 126' ' ' ARG . . . . . 0.581 ' N ' ' CG2' ' A' ' 125' ' ' ILE . 47.6 ttp180 -58.73 -19.43 40.14 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.197 -0.456 . . . . 27.23 110.574 179.977 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 127' ' ' GLU . . . . . . . . . . . . . 3.4 tp10 -75.81 -56.67 4.45 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.159 -0.473 . . . . 15.5 110.551 -179.942 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 128' ' ' ALA . . . . . . . . . . . . . . . -78.08 -0.71 29.13 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.22 -0.446 . . . . 10.5 110.584 -179.973 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 129' ' ' ASP . . . . . 0.56 ' OD1' ' N ' ' A' ' 132' ' ' GLY . 62.2 t0 -73.12 92.73 1.73 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.208 -0.451 . . . . 10.86 110.595 179.935 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 130' ' ' ILE . . . . . 0.443 ' H ' HG13 ' A' ' 130' ' ' ILE . 52.0 mt -49.69 -47.22 21.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.208 -0.451 . . . . 12.26 110.604 179.996 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 131' ' ' ASP . . . . . 0.643 ' N ' ' OD1' ' A' ' 131' ' ' ASP . 0.0 OUTLIER -77.86 -17.76 57.0 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.226 -0.443 . . . . 7.79 110.586 179.975 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 132' ' ' GLY . . . . . 0.56 ' N ' ' OD1' ' A' ' 129' ' ' ASP . . . 53.44 44.33 66.63 Favored Glycine 0 CA--C 1.525 0.665 0 N-CA-C 110.923 -0.871 . . . . 3.93 110.923 -179.998 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 133' ' ' ASP . . . . . 0.485 ' N ' ' OD2' ' A' ' 129' ' ' ASP . 9.2 m-20 -100.93 -2.06 32.89 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.794 0.331 . . . . 9.56 110.557 179.98 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 134' ' ' GLY . . . . . . . . . . . . . . . 98.19 5.87 57.01 Favored Glycine 0 CA--C 1.524 0.645 0 N-CA-C 110.978 -0.849 . . . . 7.32 110.978 -179.956 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 135' ' ' GLN . . . . . . . . . . . . . 3.7 pt20 -145.48 164.4 31.72 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.803 0.335 . . . . 22.05 110.565 179.981 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 136' ' ' VAL . . . . . 0.485 HG23 HG12 ' A' ' 125' ' ' ILE . 55.1 t -122.4 100.78 8.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.226 -0.443 . . . . 10.34 110.608 -179.993 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 137' ' ' ASN . . . . . . . . . . . . . 71.9 m-20 -68.7 159.9 31.3 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.186 -0.461 . . . . 12.02 110.485 -179.979 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 138' ' ' TYR . . . . . 0.568 ' CD2' ' C ' ' A' ' 138' ' ' TYR . 6.4 t80 -52.11 -39.87 60.45 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.172 -0.467 . . . . 8.75 110.583 179.999 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 139' ' ' GLU . . . . . . . . . . . . . 18.2 mm-40 -53.81 -43.91 69.74 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.192 -0.458 . . . . 22.33 110.542 179.953 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 140' ' ' GLU . . . . . . . . . . . . . 1.3 mt-10 -62.79 -33.55 75.43 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.222 -0.445 . . . . 13.45 110.483 179.965 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 141' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER -52.9 -42.52 65.41 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.139 -0.482 . . . . 8.25 110.498 179.976 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 142' ' ' VAL . . . . . . . . . . . . . 79.3 t -60.68 -35.36 63.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.174 -0.466 . . . . 10.15 110.522 -179.977 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 143' ' ' GLN . . . . . 0.416 ' HG2' HD11 ' A' ' 130' ' ' ILE . 46.3 tp60 -52.23 -54.94 24.8 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.213 -0.449 . . . . 8.24 110.518 -179.976 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 144' ' ' MET . . . . . . . . . . . . . 0.3 OUTLIER -49.85 -34.7 20.75 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.242 -0.435 . . . . 6.68 110.502 -179.982 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 145' ' ' MET . . . . . . . . . . . . . 1.5 ttt -64.83 -13.69 56.76 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.196 -0.457 . . . . 13.37 110.527 -179.994 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 146' ' ' THR . . . . . 0.412 ' OG1' ' O ' ' A' ' 143' ' ' GLN . 39.3 p -113.14 -21.36 11.07 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.132 -0.486 . . . . 10.78 110.516 179.971 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 147' ' ' ALA . . . . . 0.414 ' O ' ' O ' ' A' ' 148' ' ' LYS . . . -64.52 104.74 0.83 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.163 -0.471 . . . . 18.52 110.631 179.987 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 148' ' ' LYS . . . . . 0.414 ' O ' ' O ' ' A' ' 147' ' ' ALA . 34.0 mttm . . . . . 0 C--O 1.219 -0.511 0 CA-C-O 117.98 -1.009 . . . . 23.42 110.547 -179.955 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 401' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 402' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 403' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 404' ' ' ' TB' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 21.0 mt-30 . . . . . 0 C--O 1.231 0.111 0 CA-C-O 120.795 0.331 . . . . 23.46 110.606 . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -79.3 159.54 27.18 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.229 -0.441 . . . . 14.38 110.55 179.979 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 5' ' ' THR . . . . . 0.522 ' OG1' ' NE2' ' A' ' 8' ' ' GLN . 14.1 p -107.01 157.54 17.73 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.202 -0.454 . . . . 7.34 110.56 -179.994 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 30.0 mt-10 -49.97 -49.98 48.49 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.203 -0.453 . . . . 7.12 110.606 179.979 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 7' ' ' GLU . . . . . 0.534 ' C ' ' OE1' ' A' ' 8' ' ' GLN . 9.3 mm-40 -52.59 -28.9 23.05 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.173 -0.467 . . . . 6.85 110.586 179.946 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 8' ' ' GLN . . . . . 0.579 ' OE1' ' N ' ' A' ' 8' ' ' GLN . 0.9 OUTLIER -90.66 -52.82 4.69 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.192 -0.458 . . . . 15.1 110.598 179.977 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 71.0 mt -52.21 -30.17 13.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.185 -0.461 . . . . 4.72 110.56 -179.998 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -72.45 -56.02 6.08 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.189 -0.459 . . . . 6.68 110.541 179.982 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 21.4 mm-40 -43.92 -46.49 8.14 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.21 -0.45 . . . . 18.49 110.626 -179.891 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 12' ' ' PHE . . . . . 0.814 ' CD2' HD21 ' A' ' 69' ' ' LEU . 58.8 m-85 -62.35 -49.45 75.53 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.378 -0.374 . . . . 14.89 110.54 -179.991 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 30.6 mtpt -46.81 -38.62 10.47 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.229 -0.441 . . . . 18.39 110.47 179.957 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 13.2 tt0 -52.89 -39.5 62.75 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.149 -0.478 . . . . 22.76 110.488 179.934 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -57.77 -58.34 8.8 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.19 -0.459 . . . . 5.67 110.542 179.904 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 16' ' ' PHE . . . . . 0.446 ' CZ ' HD12 ' A' ' 27' ' ' ILE . 0.8 OUTLIER -55.22 -20.02 9.62 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.212 -0.449 . . . . 13.28 110.516 179.937 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 3.1 t -85.53 -21.14 28.74 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.098 -0.501 . . . . 12.16 110.45 179.869 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 2.0 mm? -90.65 -36.75 14.2 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.109 -0.496 . . . . 17.89 110.55 -179.993 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 19' ' ' PHE . . . . . 0.596 ' CE1' HG11 ' A' ' 35' ' ' VAL . 48.0 m-85 -83.83 -50.25 8.28 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.226 -0.443 . . . . 9.14 110.669 -179.939 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 23.3 t0 -68.23 68.04 0.12 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.273 -0.421 . . . . 7.47 110.582 -179.986 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 1.5 tptp -66.46 -19.61 65.84 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.156 -0.474 . . . . 27.75 110.657 -179.935 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 22' ' ' ASP . . . . . 0.568 ' OD1' ' OE1' ' A' ' 31' ' ' GLU . 6.6 m-20 -88.96 -15.24 34.73 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.302 -0.408 . . . . 14.13 110.61 -179.919 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 58.58 33.03 70.34 Favored Glycine 0 CA--C 1.525 0.693 0 N-CA-C 110.913 -0.875 . . . . 11.51 110.913 -179.995 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 22.9 p-10 -83.34 -30.16 27.7 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.808 0.337 . . . . 14.28 110.664 179.976 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 105.13 6.8 39.03 Favored Glycine 0 CA--C 1.525 0.691 0 N-CA-C 110.932 -0.867 . . . . 9.47 110.932 -179.996 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 1.8 p -148.68 136.85 21.0 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.797 0.332 . . . . 16.41 110.563 179.936 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 27' ' ' ILE . . . . . 0.451 ' H ' ' HB ' ' A' ' 63' ' ' ILE . 5.0 mt -109.91 130.21 63.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.218 -0.446 . . . . 8.03 110.516 179.984 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 12.6 p -109.4 175.3 5.5 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.13 -0.487 . . . . 7.8 110.576 -179.991 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -70.17 -19.92 63.17 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.221 -0.445 . . . . 10.04 110.611 -179.994 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 2.4 ttmm -76.12 -38.65 56.58 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.196 -0.456 . . . . 16.38 110.609 -179.973 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 31' ' ' GLU . . . . . 0.568 ' OE1' ' OD1' ' A' ' 22' ' ' ASP . 16.4 mt-10 -79.93 -31.62 40.08 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.238 -0.437 . . . . 5.59 110.479 -179.99 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 3.8 tp -64.31 -58.92 5.12 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.15 -0.477 . . . . 7.72 110.548 -179.968 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -44.08 -46.54 8.01 Favored Glycine 0 CA--C 1.524 0.612 0 N-CA-C 110.896 -0.882 . . . . 6.93 110.896 179.941 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 4.9 m -50.14 -40.7 47.11 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.801 0.334 . . . . 9.63 110.51 179.967 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 35' ' ' VAL . . . . . 0.596 HG11 ' CE1' ' A' ' 19' ' ' PHE . 94.7 t -60.36 -51.31 74.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.192 -0.458 . . . . 7.07 110.523 179.959 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 36' ' ' MET . . . . . . . . . . . . . 6.3 mmt -58.02 -26.09 61.99 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.204 -0.453 . . . . 10.12 110.494 179.985 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 8.2 mtt180 -69.5 -22.58 63.6 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.172 -0.467 . . . . 9.87 110.522 -179.99 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 1.1 t -79.98 -27.63 39.65 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.157 -0.474 . . . . 8.15 110.486 179.989 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 13.1 mt -92.54 15.09 14.97 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.184 -0.462 . . . . 12.78 110.56 179.978 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 62.09 26.23 67.25 Favored Glycine 0 CA--C 1.524 0.64 0 N-CA-C 110.929 -0.869 . . . . 9.6 110.929 -179.969 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 7.7 mt-30 -95.06 151.26 19.34 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.796 0.331 . . . . 20.35 110.631 179.981 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 10.4 m120 -134.56 80.0 52.14 Favored Pre-proline 0 C--N 1.328 -0.326 0 CA-C-N 116.173 -0.467 . . . . 10.22 110.529 179.988 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 60.3 Cg_endo -78.1 152.08 27.53 Favored 'Trans proline' 0 C--N 1.305 -1.713 0 C-N-CA 122.771 2.314 . . . . 8.63 112.24 -179.954 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -87.94 164.29 15.91 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.178 -0.465 . . . . 4.83 110.598 179.98 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 14.2 mt-10 -53.75 -51.58 62.91 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.229 -0.441 . . . . 16.78 110.598 179.945 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -52.66 -36.36 56.74 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.148 -0.478 . . . . 4.8 110.519 -179.989 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 2.5 tp10 -74.29 -56.02 5.36 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.233 -0.439 . . . . 6.18 110.522 -179.959 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 48' ' ' LEU . . . . . 0.504 ' HA ' HD23 ' A' ' 48' ' ' LEU . 19.9 mt -50.11 -37.22 33.07 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.17 -0.468 . . . . 6.65 110.553 -179.969 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 55.6 mt-30 -76.36 -50.79 13.31 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.214 -0.448 . . . . 7.05 110.519 -179.996 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 26.4 t0 -53.34 -29.63 35.11 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.227 -0.442 . . . . 6.72 110.538 179.97 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 51' ' ' MET . . . . . . . . . . . . . 7.2 mmt -73.33 -55.73 6.01 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.178 -0.464 . . . . 13.6 110.539 -179.995 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 52' ' ' ILE . . . . . 0.838 ' CD1' HD11 ' A' ' 63' ' ' ILE . 4.5 mm -49.63 -45.24 20.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.173 -0.467 . . . . 8.71 110.497 179.968 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 55.1 t-20 -50.61 -51.41 48.92 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.23 -0.441 . . . . 9.04 110.544 179.998 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 39.3 mt-10 -51.21 -30.11 16.17 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.176 -0.466 . . . . 23.58 110.587 179.998 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 55' ' ' VAL . . . . . 0.415 HG12 HG23 ' A' ' 63' ' ' ILE . 2.4 t -95.0 -26.64 4.32 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.179 -0.464 . . . . 7.6 110.557 -179.994 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 56' ' ' ASP . . . . . 0.597 ' OD1' ' N ' ' A' ' 59' ' ' GLY . 7.5 t0 -107.58 80.41 1.39 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.209 -0.45 . . . . 12.55 110.554 -179.995 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -69.26 -19.15 63.93 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.159 -0.473 . . . . 15.13 110.547 179.962 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -103.81 -4.66 23.3 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.228 -0.442 . . . . 14.32 110.582 -179.975 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 59' ' ' GLY . . . . . 0.597 ' N ' ' OD1' ' A' ' 56' ' ' ASP . . . 44.95 31.07 2.66 Favored Glycine 0 CA--C 1.524 0.63 0 N-CA-C 110.987 -0.845 . . . . 13.64 110.987 -179.98 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -59.26 -10.7 3.16 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.78 0.324 . . . . 13.27 110.562 -179.968 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 105.74 -10.07 44.84 Favored Glycine 0 CA--C 1.525 0.716 0 N-CA-C 110.889 -0.884 . . . . 11.65 110.889 179.952 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 62' ' ' THR . . . . . 0.52 ' O ' ' OD2' ' A' ' 56' ' ' ASP . 0.0 OUTLIER -136.19 173.79 11.32 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.824 0.345 . . . . 11.55 110.524 -179.993 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 63' ' ' ILE . . . . . 0.838 HD11 ' CD1' ' A' ' 52' ' ' ILE . 55.7 mt -111.53 113.81 45.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.202 -0.454 . . . . 10.06 110.684 -179.946 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 64' ' ' ASP . . . . . 0.675 ' OD1' ' N ' ' A' ' 64' ' ' ASP . 0.0 OUTLIER -78.7 145.7 34.38 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.188 -0.46 . . . . 11.33 110.358 179.881 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 65' ' ' PHE . . . . . 0.659 ' N ' ' CD ' ' A' ' 66' ' ' PRO . 0.3 OUTLIER -70.9 -36.87 5.56 Favored Pre-proline 0 C--N 1.331 -0.223 0 CA-C-N 116.472 -0.331 . . . . 7.4 111.078 -179.71 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 66' ' ' PRO . . . . . 0.659 ' CD ' ' N ' ' A' ' 65' ' ' PHE . 37.0 Cg_exo -53.56 -48.68 20.57 Favored 'Trans proline' 0 C--N 1.309 -1.533 0 C-N-CA 122.32 2.013 . . . . 6.66 111.818 179.83 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 67' ' ' GLU . . . . . 0.572 ' OE2' ' OD2' ' A' ' 64' ' ' ASP . 14.5 mt-10 -74.54 -32.31 62.42 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.155 -0.475 . . . . 7.44 110.332 179.819 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 68' ' ' PHE . . . . . . . . . . . . . 35.6 t80 -50.39 -27.96 7.27 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.149 -0.478 . . . . 8.58 110.497 179.912 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 69' ' ' LEU . . . . . 0.814 HD21 ' CD2' ' A' ' 12' ' ' PHE . 0.4 OUTLIER -83.47 -38.01 22.39 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.141 -0.481 . . . . 9.43 110.233 179.534 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 70' ' ' THR . . . . . 0.569 ' O ' ' CB ' ' A' ' 74' ' ' ARG . 0.3 OUTLIER -71.63 -35.91 70.58 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.024 -0.535 . . . . 7.53 110.472 179.999 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 71' ' ' MET . . . . . . . . . . . . . 8.4 tpt -55.98 -43.12 77.29 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.203 -0.453 . . . . 11.86 110.549 179.967 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 72' ' ' MET . . . . . 0.434 ' H ' ' HG2' ' A' ' 72' ' ' MET . 3.3 ptm -89.18 -38.85 13.97 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.19 -0.459 . . . . 22.32 110.571 179.979 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -69.52 -32.22 70.92 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.234 -0.439 . . . . 9.15 110.59 179.98 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 74' ' ' ARG . . . . . 0.569 ' CB ' ' O ' ' A' ' 70' ' ' THR . 64.6 ttt180 -75.09 -42.59 56.31 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.233 -0.44 . . . . 13.8 110.573 -179.939 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 75' ' ' LYS . . . . . 0.477 ' O ' ' OD1' ' A' ' 78' ' ' ASP . 2.3 tmtm? -50.75 -32.53 19.99 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.196 -0.456 . . . . 25.18 110.582 179.967 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 76' ' ' MET . . . . . . . . . . . . . 12.5 mtp -77.91 0.49 23.93 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.168 -0.469 . . . . 34.79 110.594 -179.987 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 7.0 mtpm? -113.51 32.85 5.51 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.183 -0.462 . . . . 37.65 110.556 179.998 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 78' ' ' ASP . . . . . 0.477 ' OD1' ' O ' ' A' ' 75' ' ' LYS . 25.3 p-10 -161.94 -175.53 4.71 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.215 -0.448 . . . . 42.58 110.549 179.985 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 12.6 t -77.45 156.75 30.89 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.201 -0.454 . . . . 38.4 110.527 179.992 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 6.8 p-10 -130.31 163.01 27.74 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.159 -0.473 . . . . 37.51 110.6 -179.99 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 72.5 p -117.12 134.81 54.31 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.219 -0.446 . . . . 33.12 110.551 179.994 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 17.6 mm-40 -57.33 -10.38 1.33 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.186 -0.461 . . . . 34.28 110.632 179.948 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -53.0 -60.43 3.29 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.166 -0.47 . . . . 30.91 110.575 179.993 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 5.6 tt0 -62.56 -55.6 25.73 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.184 -0.462 . . . . 22.86 110.572 179.981 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 85' ' ' ILE . . . . . 0.476 ' CD1' ' SD ' ' A' ' 145' ' ' MET . 16.3 mt -45.43 -27.76 0.62 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.206 -0.452 . . . . 19.17 110.578 179.996 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 46.6 mtt180 -83.39 -52.71 6.29 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.176 -0.466 . . . . 26.85 110.535 -179.953 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 87' ' ' GLU . . . . . 0.904 ' O ' HG23 ' A' ' 91' ' ' VAL . 0.6 OUTLIER -53.41 -40.51 65.18 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.224 -0.444 . . . . 16.48 110.547 -179.974 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -78.82 -42.88 26.57 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.24 -0.436 . . . . 9.91 110.602 -179.994 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 89' ' ' PHE . . . . . 0.45 ' CZ ' ' HB2' ' A' ' 138' ' ' TYR . 50.4 t80 -55.84 -36.16 67.2 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.16 -0.473 . . . . 8.53 110.604 -179.984 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 90' ' ' ARG . . . . . 0.404 ' C ' ' N ' ' A' ' 92' ' ' PHE . 19.3 mtp180 -81.26 -43.68 18.84 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.206 -0.452 . . . . 17.58 110.51 -179.991 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 91' ' ' VAL . . . . . 0.904 HG23 ' O ' ' A' ' 87' ' ' GLU . 44.4 t -50.08 -16.63 0.39 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.168 -0.469 . . . . 7.82 110.64 -179.891 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 92' ' ' PHE . . . . . 0.49 ' CE1' HG11 ' A' ' 108' ' ' VAL . 14.3 m-85 -94.31 -40.3 10.03 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.189 -0.459 . . . . 9.11 110.528 179.952 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 93' ' ' ASP . . . . . 0.544 ' CG ' ' O ' ' A' ' 93' ' ' ASP . 2.0 t70 -98.98 71.37 1.86 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.162 -0.472 . . . . 11.11 110.583 -179.993 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 17.6 mtmm -47.93 -19.25 0.23 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.209 -0.45 . . . . 14.57 111.124 -179.629 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . 17.1 t0 -75.18 -12.0 60.2 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 120.842 0.353 . . . . 10.2 110.64 -179.765 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 60.3 9.7 12.98 Favored Glycine 0 CA--C 1.525 0.708 0 N-CA-C 111.009 -0.836 . . . . 6.24 111.009 -179.972 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 97' ' ' ASN . . . . . 0.539 ' O ' ' CD2' ' A' ' 99' ' ' TYR . 50.7 p-10 -78.02 -7.25 56.64 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.847 0.356 . . . . 7.56 110.371 179.815 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . 73.55 30.16 62.61 Favored Glycine 0 CA--C 1.525 0.678 0 N-CA-C 111.072 -0.811 . . . . 7.08 111.072 179.886 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 99' ' ' TYR . . . . . 0.539 ' CD2' ' O ' ' A' ' 97' ' ' ASN . 82.2 m-85 -140.72 135.07 31.21 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.848 0.356 . . . . 9.0 110.689 179.946 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 8.5 mt -122.06 108.35 21.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.158 -0.473 . . . . 9.29 110.468 179.911 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 5.4 t -86.21 151.59 23.51 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.245 -0.434 . . . . 7.02 110.69 -179.887 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -46.16 -28.27 1.19 Allowed 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.017 -0.538 . . . . 6.41 110.628 -179.998 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -67.79 -39.14 84.08 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.198 -0.455 . . . . 5.01 110.605 179.974 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 2.8 mt-10 -75.32 -49.81 17.97 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.168 -0.469 . . . . 6.84 110.585 179.977 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 105' ' ' LEU . . . . . 0.624 HD13 ' O ' ' A' ' 105' ' ' LEU . 0.2 OUTLIER -47.73 -49.86 26.99 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.232 -0.44 . . . . 4.99 110.579 -179.982 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 106' ' ' ARG . . . . . 0.497 ' O ' ' N ' ' A' ' 110' ' ' THR . 5.3 tmm_? -66.49 -37.81 85.9 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.191 -0.458 . . . . 15.24 110.589 179.972 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 107' ' ' HIS . . . . . . . . . . . . . 10.5 t-160 -58.81 -54.6 45.31 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.165 -0.47 . . . . 15.69 110.518 -179.951 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 108' ' ' VAL . . . . . 0.49 HG11 ' CE1' ' A' ' 92' ' ' PHE . 24.3 t -61.53 -41.72 91.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.218 -0.446 . . . . 12.28 110.603 -179.979 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 109' ' ' MET . . . . . . . . . . . . . 4.9 mtt -76.47 -18.46 58.76 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.18 -0.464 . . . . 9.53 110.61 -179.99 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 110' ' ' THR . . . . . 0.497 ' N ' ' O ' ' A' ' 106' ' ' ARG . 13.7 m -70.2 -51.69 29.02 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.212 -0.449 . . . . 11.87 110.631 -179.984 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 111' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER -67.95 -18.76 64.85 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.233 -0.44 . . . . 21.65 110.621 -179.987 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 112' ' ' LEU . . . . . 0.415 ' HA ' HD13 ' A' ' 112' ' ' LEU . 0.1 OUTLIER -50.08 -31.38 13.08 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.116 -0.493 . . . . 19.55 110.483 -179.996 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . 115.09 4.34 20.82 Favored Glycine 0 CA--C 1.525 0.693 0 N-CA-C 110.901 -0.88 . . . . 19.66 110.901 -179.949 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -124.29 126.23 45.7 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.754 0.311 . . . . 25.55 110.445 179.925 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 23.6 mttt -87.25 111.95 21.53 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.31 -0.405 . . . . 23.26 110.556 -179.975 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 116' ' ' LEU . . . . . . . . . . . . . 4.8 mt -105.51 143.06 34.19 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.184 -0.462 . . . . 23.07 110.592 179.993 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 117' ' ' THR . . . . . 0.452 ' O ' HG23 ' A' ' 121' ' ' VAL . 0.8 OUTLIER -69.28 151.62 46.03 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.234 -0.439 . . . . 19.41 110.556 -179.97 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 118' ' ' ASP . . . . . . . . . . . . . 4.3 m-20 -74.11 -28.65 61.45 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.179 -0.464 . . . . 18.08 110.527 -179.989 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 119' ' ' GLU . . . . . . . . . . . . . 5.1 mt-10 -71.77 -28.32 63.55 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.213 -0.449 . . . . 20.16 110.531 -179.978 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 120' ' ' GLU . . . . . . . . . . . . . 7.7 tt0 -83.73 -32.72 25.34 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.227 -0.442 . . . . 14.19 110.577 179.983 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 121' ' ' VAL . . . . . 0.452 HG23 ' O ' ' A' ' 117' ' ' THR . 68.9 t -73.82 -49.93 32.03 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.139 -0.482 . . . . 14.97 110.568 -179.98 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 122' ' ' ASP . . . . . 0.632 ' OD2' ' N ' ' A' ' 123' ' ' GLU . 3.4 p-10 -67.34 -43.26 82.01 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.197 -0.456 . . . . 20.12 110.539 -179.982 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 123' ' ' GLU . . . . . 0.632 ' N ' ' OD2' ' A' ' 122' ' ' ASP . 3.9 tm-20 -46.68 -46.46 20.08 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.219 -0.446 . . . . 15.72 110.555 -179.993 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 124' ' ' MET . . . . . . . . . . . . . 2.1 tpt -72.87 -48.81 34.3 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.168 -0.469 . . . . 9.75 110.555 179.991 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 125' ' ' ILE . . . . . 0.516 ' O ' ' OD2' ' A' ' 129' ' ' ASP . 52.8 mt -62.37 -59.92 3.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.211 -0.449 . . . . 11.99 110.582 -179.996 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 126' ' ' ARG . . . . . 0.505 ' N ' ' O ' ' A' ' 122' ' ' ASP . 3.5 tpt180 -45.06 -31.95 1.54 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.195 -0.457 . . . . 27.23 110.588 179.973 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 127' ' ' GLU . . . . . . . . . . . . . 22.4 mt-10 -84.52 -53.3 5.51 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.167 -0.47 . . . . 15.5 110.586 179.966 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 128' ' ' ALA . . . . . . . . . . . . . . . -62.59 -8.42 6.42 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.223 -0.444 . . . . 10.5 110.52 -179.996 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 129' ' ' ASP . . . . . 0.573 ' OD1' ' O ' ' A' ' 135' ' ' GLN . 1.7 m-20 -91.03 93.89 9.38 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.2 -0.455 . . . . 10.86 110.594 179.999 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 130' ' ' ILE . . . . . . . . . . . . . 44.5 mt -48.94 -40.96 12.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.234 -0.439 . . . . 12.26 110.524 -179.935 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 131' ' ' ASP . . . . . . . . . . . . . 2.3 m-20 -87.4 -17.7 31.7 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.226 -0.443 . . . . 7.79 110.557 -179.988 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 132' ' ' GLY . . . . . . . . . . . . . . . 56.61 53.34 44.36 Favored Glycine 0 CA--C 1.525 0.671 0 N-CA-C 110.986 -0.846 . . . . 3.93 110.986 179.975 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 133' ' ' ASP . . . . . 0.532 ' OD1' ' N ' ' A' ' 133' ' ' ASP . 0.7 OUTLIER -100.91 2.87 41.28 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.802 0.334 . . . . 9.56 110.603 179.959 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 134' ' ' GLY . . . . . . . . . . . . . . . 88.29 7.67 72.6 Favored Glycine 0 CA--C 1.524 0.634 0 N-CA-C 110.915 -0.874 . . . . 7.32 110.915 -179.969 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 135' ' ' GLN . . . . . 0.573 ' O ' ' OD1' ' A' ' 129' ' ' ASP . 1.0 OUTLIER -145.72 164.43 31.83 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.801 0.334 . . . . 22.05 110.544 -179.965 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 136' ' ' VAL . . . . . . . . . . . . . 1.5 t -120.97 100.66 9.31 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.249 -0.432 . . . . 10.34 110.671 -179.998 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 137' ' ' ASN . . . . . . . . . . . . . 52.6 p-10 -68.96 165.42 20.11 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.131 -0.486 . . . . 12.02 110.631 -179.984 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 138' ' ' TYR . . . . . 0.45 ' HB2' ' CZ ' ' A' ' 89' ' ' PHE . 34.9 t80 -54.21 -34.42 60.57 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.218 -0.446 . . . . 8.75 110.571 179.974 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 139' ' ' GLU . . . . . . . . . . . . . 4.4 tt0 -61.77 -39.46 91.71 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.153 -0.476 . . . . 22.33 110.549 -179.968 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 140' ' ' GLU . . . . . 0.539 ' O ' ' CB ' ' A' ' 143' ' ' GLN . 6.4 mt-10 -65.15 -39.36 92.88 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.199 -0.455 . . . . 13.45 110.591 179.971 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 141' ' ' PHE . . . . . 0.413 ' C ' ' N ' ' A' ' 143' ' ' GLN . 1.4 m-85 -50.27 -60.28 3.13 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.182 -0.463 . . . . 8.25 110.489 179.973 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 142' ' ' VAL . . . . . . . . . . . . . 60.4 t -46.22 -21.64 0.29 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.199 -0.455 . . . . 10.15 110.497 179.932 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 143' ' ' GLN . . . . . 0.539 ' CB ' ' O ' ' A' ' 140' ' ' GLU . 6.6 tt0 -62.47 -57.16 12.22 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.149 -0.478 . . . . 8.24 110.529 179.91 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 144' ' ' MET . . . . . . . . . . . . . 17.4 ttm -52.32 -18.36 1.55 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.168 -0.469 . . . . 6.68 110.499 179.873 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 145' ' ' MET . . . . . 0.476 ' SD ' ' CD1' ' A' ' 85' ' ' ILE . 5.3 mtp -85.21 -15.3 44.06 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.155 -0.475 . . . . 13.37 110.637 179.999 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 146' ' ' THR . . . . . . . . . . . . . 1.1 t -113.39 -23.42 9.88 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.215 -0.448 . . . . 10.78 110.472 179.855 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 147' ' ' ALA . . . . . . . . . . . . . . . -75.31 136.98 40.85 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.054 -0.521 . . . . 18.52 110.564 -179.985 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 148' ' ' LYS . . . . . . . . . . . . . 8.3 tptm . . . . . 0 C--O 1.22 -0.468 0 CA-C-O 118.061 -0.971 . . . . 23.42 110.566 179.982 . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 401' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 402' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 403' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 404' ' ' ' TB' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 8.2 tp60 . . . . . 0 C--O 1.231 0.103 0 CA-C-O 120.79 0.329 . . . . 23.46 110.588 . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 4' ' ' LEU . . . . . 0.608 ' O ' HD11 ' A' ' 9' ' ' ILE . 2.2 tp -82.74 126.97 32.98 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.174 -0.466 . . . . 14.38 110.535 -179.987 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 5' ' ' THR . . . . . 0.417 HG22 ' H ' ' A' ' 5' ' ' THR . 0.5 OUTLIER -67.56 148.92 50.8 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.154 -0.475 . . . . 7.34 110.591 179.978 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 6' ' ' GLU . . . . . 0.528 ' HA ' HD12 ' A' ' 9' ' ' ILE . 5.7 pt-20 -53.93 -41.74 68.03 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.205 -0.452 . . . . 7.12 110.556 -179.958 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 32.3 mt-10 -52.63 -37.69 58.92 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.233 -0.44 . . . . 6.85 110.596 179.966 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 66.3 mt-30 -80.46 -46.15 16.4 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.228 -0.442 . . . . 15.1 110.533 -179.986 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 9' ' ' ILE . . . . . 0.608 HD11 ' O ' ' A' ' 4' ' ' LEU . 28.2 mt -57.22 -24.21 20.57 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.198 -0.455 . . . . 4.72 110.55 -179.987 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -78.71 -59.26 2.85 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.233 -0.44 . . . . 6.68 110.63 179.99 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 53.1 mt-10 -48.21 -35.89 12.72 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.188 -0.46 . . . . 18.49 110.595 179.965 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 12' ' ' PHE . . . . . 0.615 ' CG ' HD21 ' A' ' 69' ' ' LEU . 4.9 m-85 -63.11 -45.57 91.38 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.191 -0.458 . . . . 14.89 110.61 179.966 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 28.7 mtpt -46.97 -32.94 4.23 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.183 -0.462 . . . . 18.39 110.522 179.999 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 23.1 mm-40 -63.75 -46.28 86.02 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.191 -0.459 . . . . 22.76 110.518 179.978 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 15' ' ' ALA . . . . . 0.579 ' O ' ' CB ' ' A' ' 18' ' ' LEU . . . -48.6 -57.31 6.41 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.209 -0.45 . . . . 5.67 110.512 -179.983 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 16' ' ' PHE . . . . . 0.475 ' CE1' ' HB2' ' A' ' 65' ' ' PHE . 0.2 OUTLIER -42.8 -60.12 1.7 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.191 -0.459 . . . . 13.28 110.451 179.999 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 70.2 p -45.29 -21.52 0.09 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.217 -0.447 . . . . 12.16 110.413 179.905 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 18' ' ' LEU . . . . . 0.579 ' CB ' ' O ' ' A' ' 15' ' ' ALA . 13.7 tp -67.34 -46.27 73.92 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.066 -0.515 . . . . 17.89 110.458 179.89 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 97.0 m-85 -90.05 -50.15 6.18 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.14 -0.482 . . . . 9.14 110.543 179.938 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 20' ' ' ASP . . . . . 0.558 ' OD2' ' OD1' ' A' ' 24' ' ' ASP . 12.5 t0 -71.88 68.54 0.66 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.209 -0.45 . . . . 7.47 110.512 -179.976 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 13.3 tttt -61.59 -19.71 62.51 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.195 -0.457 . . . . 27.75 110.681 -179.96 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 22' ' ' ASP . . . . . 0.528 ' OD2' ' N ' ' A' ' 22' ' ' ASP . 1.1 m-20 -87.44 -15.47 37.6 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.291 -0.413 . . . . 14.13 110.583 -179.909 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 60.35 32.74 78.11 Favored Glycine 0 CA--C 1.524 0.633 0 N-CA-C 110.917 -0.873 . . . . 11.51 110.917 -179.946 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 24' ' ' ASP . . . . . 0.558 ' OD1' ' OD2' ' A' ' 20' ' ' ASP . 9.2 p-10 -80.84 -27.49 36.47 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.791 0.329 . . . . 14.28 110.591 -179.978 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 105.16 5.79 40.14 Favored Glycine 0 CA--C 1.525 0.692 0 N-CA-C 110.889 -0.884 . . . . 9.47 110.889 -179.963 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 1.4 p -148.72 136.74 20.86 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 120.8 0.333 . . . . 16.41 110.576 -179.965 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 19.1 mt -111.8 138.64 39.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.206 -0.452 . . . . 8.03 110.606 179.999 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 33.1 p -111.25 174.89 5.65 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.172 -0.467 . . . . 7.8 110.521 -179.918 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 29' ' ' THR . . . . . 0.607 ' OG1' HD12 ' A' ' 52' ' ' ILE . 0.6 OUTLIER -73.97 -30.77 62.69 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.178 -0.464 . . . . 10.04 110.588 179.955 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 8.4 pttt -68.44 -33.15 73.69 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.194 -0.457 . . . . 16.38 110.56 179.985 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 21.9 mt-10 -85.29 -31.71 22.92 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.234 -0.439 . . . . 5.59 110.461 179.966 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 65.6 tp -72.08 -30.03 64.71 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.164 -0.471 . . . . 7.72 110.505 179.996 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 33' ' ' GLY . . . . . 0.732 ' CA ' HD21 ' A' ' 48' ' ' LEU . . . -66.81 -48.6 60.36 Favored Glycine 0 CA--C 1.525 0.67 0 N-CA-C 110.863 -0.895 . . . . 6.93 110.863 179.952 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 17.7 m -53.41 -33.09 52.53 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.811 0.338 . . . . 9.63 110.49 179.961 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 42.6 t -61.05 -52.33 62.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.204 -0.453 . . . . 7.07 110.542 179.969 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 36' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -62.08 -33.65 74.82 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.182 -0.463 . . . . 10.12 110.509 179.954 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 37' ' ' ARG . . . . . 0.469 ' HG2' HH21 ' A' ' 37' ' ' ARG . 30.7 ttp85 -59.35 -23.45 62.53 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.149 -0.478 . . . . 9.87 110.52 179.941 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 49.5 m -83.32 -21.24 33.24 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.214 -0.448 . . . . 8.15 110.472 179.931 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 39' ' ' LEU . . . . . 0.525 HD21 HD13 ' A' ' 112' ' ' LEU . 39.1 mt -91.76 15.15 13.44 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.18 -0.464 . . . . 12.78 110.504 179.947 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 67.97 26.52 73.94 Favored Glycine 0 CA--C 1.524 0.65 0 N-CA-C 110.937 -0.865 . . . . 9.6 110.937 179.994 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 84.7 mm-40 -104.28 150.21 24.64 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.811 0.339 . . . . 20.35 110.583 -179.995 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 9.4 t-20 -135.92 80.06 43.55 Favored Pre-proline 0 C--N 1.328 -0.332 0 CA-C-N 116.178 -0.465 . . . . 10.22 110.558 179.984 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 59.7 Cg_endo -77.88 154.85 30.23 Favored 'Trans proline' 0 C--N 1.306 -1.685 0 C-N-CA 122.791 2.328 . . . . 8.63 112.16 -179.85 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 3.9 p -85.27 157.7 20.51 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.15 -0.477 . . . . 4.83 110.545 -179.993 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 5.7 mt-10 -56.05 -22.62 28.48 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.238 -0.437 . . . . 16.78 110.576 179.94 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -83.59 -26.5 29.97 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.201 -0.454 . . . . 4.8 110.543 -179.972 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 39.1 tt0 -76.71 -60.84 2.18 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.242 -0.435 . . . . 6.18 110.528 -179.961 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 48' ' ' LEU . . . . . 0.732 HD21 ' CA ' ' A' ' 33' ' ' GLY . 3.3 tp -54.94 -54.96 35.95 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.227 -0.442 . . . . 6.65 110.579 179.969 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 49' ' ' GLN . . . . . 0.442 ' O ' HG22 ' A' ' 52' ' ' ILE . 17.0 tt0 -50.4 -51.98 41.46 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.168 -0.469 . . . . 7.05 110.472 179.964 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 4.4 t70 -69.27 -17.12 63.72 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.18 -0.464 . . . . 6.72 110.484 179.908 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 51' ' ' MET . . . . . . . . . . . . . 1.4 tpt -73.19 -44.59 59.56 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.118 -0.492 . . . . 13.6 110.508 179.996 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 52' ' ' ILE . . . . . 0.607 HD12 ' OG1' ' A' ' 29' ' ' THR . 6.5 tt -59.76 -31.92 48.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.196 -0.456 . . . . 8.71 110.521 179.989 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 63.6 m-20 -67.94 -37.52 81.72 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.218 -0.446 . . . . 9.04 110.553 -179.981 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 65.3 mt-10 -51.2 -49.81 60.28 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.197 -0.456 . . . . 23.58 110.67 -179.854 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 55' ' ' VAL . . . . . 0.493 ' CG2' HD12 ' A' ' 63' ' ' ILE . 18.7 m -80.6 -28.29 11.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.228 -0.442 . . . . 7.6 110.584 -179.953 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 56' ' ' ASP . . . . . 0.576 ' OD2' ' OD2' ' A' ' 60' ' ' ASP . 46.3 t0 -92.33 98.48 11.52 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.199 -0.455 . . . . 12.55 110.575 -179.966 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -83.3 -18.05 40.37 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.223 -0.444 . . . . 15.13 110.527 -179.971 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 58' ' ' ASP . . . . . 0.444 ' N ' ' OD1' ' A' ' 58' ' ' ASP . 0.0 OUTLIER -87.83 -11.0 49.15 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.189 -0.46 . . . . 14.32 110.556 -179.99 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 59' ' ' GLY . . . . . 0.547 ' N ' ' OD1' ' A' ' 56' ' ' ASP . . . 47.26 42.9 18.36 Favored Glycine 0 CA--C 1.524 0.633 0 N-CA-C 110.961 -0.856 . . . . 13.64 110.961 -179.947 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 60' ' ' ASP . . . . . 0.576 ' OD2' ' OD2' ' A' ' 56' ' ' ASP . 3.1 p-10 -78.97 -19.79 50.78 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.827 0.346 . . . . 13.27 110.551 -179.946 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 105.69 1.18 39.94 Favored Glycine 0 CA--C 1.525 0.663 0 N-CA-C 110.962 -0.855 . . . . 11.65 110.962 -179.952 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -138.2 178.63 6.98 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.78 0.324 . . . . 11.55 110.555 179.991 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 63' ' ' ILE . . . . . 0.596 HD11 HG12 ' A' ' 52' ' ' ILE . 42.8 mm -118.23 104.91 16.87 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.249 -0.432 . . . . 10.06 110.658 -179.974 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 64' ' ' ASP . . . . . 0.521 ' OD1' ' OE1' ' A' ' 67' ' ' GLU . 0.0 OUTLIER -78.79 145.72 34.18 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.205 -0.452 . . . . 11.33 110.276 179.867 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 65' ' ' PHE . . . . . 0.671 ' N ' ' CD ' ' A' ' 66' ' ' PRO . 0.4 OUTLIER -70.87 -37.26 6.03 Favored Pre-proline 0 C--N 1.331 -0.222 0 CA-C-N 116.45 -0.341 . . . . 7.4 110.915 -179.666 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 66' ' ' PRO . . . . . 0.671 ' CD ' ' N ' ' A' ' 65' ' ' PHE . 33.0 Cg_exo -55.33 -54.86 3.68 Favored 'Trans proline' 0 C--N 1.309 -1.545 0 C-N-CA 122.387 2.058 . . . . 6.66 111.843 179.73 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 67' ' ' GLU . . . . . 0.521 ' OE1' ' OD1' ' A' ' 64' ' ' ASP . 13.5 pt-20 -70.48 -35.31 73.21 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.121 -0.491 . . . . 7.44 110.439 179.824 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 68' ' ' PHE . . . . . . . . . . . . . 54.0 t80 -46.69 -27.16 1.09 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.165 -0.47 . . . . 8.58 110.392 179.881 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 69' ' ' LEU . . . . . 0.615 HD21 ' CG ' ' A' ' 12' ' ' PHE . 0.6 OUTLIER -83.61 -36.47 23.86 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.131 -0.486 . . . . 9.43 110.149 179.456 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 70' ' ' THR . . . . . 0.485 ' OG1' ' O ' ' A' ' 67' ' ' GLU . 30.6 p -61.85 -51.4 68.37 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.038 -0.528 . . . . 7.53 110.503 179.962 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 71' ' ' MET . . . . . 0.523 ' C ' ' SD ' ' A' ' 71' ' ' MET . 2.0 tmt? -48.33 -45.77 35.69 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.154 -0.476 . . . . 11.86 110.472 179.954 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 72' ' ' MET . . . . . . . . . . . . . 43.1 mtp -73.53 -47.56 39.92 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.162 -0.472 . . . . 22.32 110.522 179.988 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -56.67 -48.93 76.54 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.174 -0.466 . . . . 9.15 110.523 -179.982 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 50.5 ttm-85 -45.32 -46.64 13.01 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.214 -0.448 . . . . 13.8 110.51 -179.943 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 5.7 tttp -48.6 -41.86 32.17 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.222 -0.444 . . . . 25.18 110.556 179.982 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 76' ' ' MET . . . . . . . . . . . . . 4.9 ttm -74.6 -23.15 58.68 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.194 -0.457 . . . . 34.79 110.599 179.958 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 9.8 tttp -105.49 17.18 24.31 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.208 -0.451 . . . . 37.65 110.566 179.986 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 78' ' ' ASP . . . . . 0.423 ' CG ' ' H ' ' A' ' 79' ' ' THR . 19.3 t0 -146.28 -160.51 1.16 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.228 -0.442 . . . . 42.58 110.537 -179.956 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 79' ' ' THR . . . . . 0.423 ' H ' ' CG ' ' A' ' 78' ' ' ASP . 0.0 OUTLIER -87.76 160.01 18.23 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.223 -0.444 . . . . 38.4 110.559 179.977 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -114.08 146.56 40.07 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.217 -0.447 . . . . 37.51 110.536 179.995 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 1.4 m -105.16 150.14 25.32 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.193 -0.458 . . . . 33.12 110.612 179.985 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 82' ' ' GLU . . . . . 0.588 ' O ' ' N ' ' A' ' 85' ' ' ILE . 2.4 mm-40 -84.97 -37.2 20.75 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.209 -0.45 . . . . 34.28 110.605 179.996 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 83' ' ' GLU . . . . . 0.494 ' OE2' ' C ' ' A' ' 83' ' ' GLU . 0.4 OUTLIER -43.09 -35.22 1.24 Allowed 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.235 -0.439 . . . . 30.91 110.582 179.978 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 84' ' ' GLU . . . . . 0.447 ' O ' ' HB3' ' A' ' 88' ' ' ALA . 2.2 pt-20 -82.4 -20.37 37.25 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.275 -0.421 . . . . 22.86 110.58 -179.961 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 85' ' ' ILE . . . . . 0.588 ' N ' ' O ' ' A' ' 82' ' ' GLU . 42.0 mt -79.21 -35.3 17.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.218 -0.446 . . . . 19.17 110.578 -179.966 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 86' ' ' ARG . . . . . 0.423 ' NE ' ' HA ' ' A' ' 83' ' ' GLU . 0.0 OUTLIER -76.72 -53.24 8.23 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.182 -0.463 . . . . 26.85 110.573 -179.982 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 87' ' ' GLU . . . . . 0.851 ' O ' HG23 ' A' ' 91' ' ' VAL . 3.4 mm-40 -60.37 -60.4 3.87 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.166 -0.47 . . . . 16.48 110.625 -179.973 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 88' ' ' ALA . . . . . 0.447 ' HB3' ' O ' ' A' ' 84' ' ' GLU . . . -50.21 -33.32 19.0 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.218 -0.447 . . . . 9.91 110.617 -179.99 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 89' ' ' PHE . . . . . 0.476 ' C ' ' CD2' ' A' ' 89' ' ' PHE . 16.8 t80 -79.12 -61.5 1.99 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.249 -0.432 . . . . 8.53 110.571 -179.9 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 2.0 ptm180 -63.55 -19.06 64.48 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.183 -0.462 . . . . 17.58 110.657 -179.908 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 91' ' ' VAL . . . . . 0.851 HG23 ' O ' ' A' ' 87' ' ' GLU . 4.6 t -62.15 -36.96 77.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.192 -0.458 . . . . 7.82 110.672 -179.931 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 92' ' ' PHE . . . . . 0.459 ' CE1' HG11 ' A' ' 108' ' ' VAL . 8.2 m-85 -92.01 -13.68 30.61 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.265 -0.425 . . . . 9.11 110.678 -179.911 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 93' ' ' ASP . . . . . 0.575 ' OD2' ' O ' ' A' ' 99' ' ' TYR . 13.3 t70 -94.02 68.74 3.81 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.334 -0.394 . . . . 11.11 110.644 -179.932 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 4.8 tttp -49.2 -25.47 2.26 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.184 -0.462 . . . . 14.57 110.984 -179.724 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 95' ' ' ASP . . . . . 0.506 ' OD1' ' N ' ' A' ' 95' ' ' ASP . 0.3 OUTLIER -75.34 -14.57 60.49 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.833 0.349 . . . . 10.2 110.665 -179.837 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 60.35 9.68 13.12 Favored Glycine 0 CA--C 1.525 0.694 0 N-CA-C 111.067 -0.813 . . . . 6.24 111.067 -179.987 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 97' ' ' ASN . . . . . 0.685 ' O ' ' CE1' ' A' ' 99' ' ' TYR . 32.7 p-10 -69.11 -2.33 9.95 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.921 0.391 . . . . 7.56 110.318 179.801 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 98' ' ' GLY . . . . . 0.476 ' C ' ' CD2' ' A' ' 99' ' ' TYR . . . 66.47 10.88 55.19 Favored Glycine 0 CA--C 1.524 0.644 0 N-CA-C 110.964 -0.855 . . . . 7.08 110.964 179.961 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 99' ' ' TYR . . . . . 0.685 ' CE1' ' O ' ' A' ' 97' ' ' ASN . 1.1 m-85 -128.55 136.0 50.15 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.779 0.323 . . . . 9.0 110.579 179.967 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 41.9 mt -121.3 113.14 38.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.259 -0.428 . . . . 9.29 110.494 179.911 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 101' ' ' SER . . . . . 0.527 ' OG ' ' CD ' ' A' ' 135' ' ' GLN . 16.1 m -89.19 151.72 22.01 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.188 -0.46 . . . . 7.02 110.675 -179.894 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -49.14 -19.41 0.44 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.072 -0.513 . . . . 6.41 110.541 -179.979 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -74.45 -51.97 13.37 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.267 -0.424 . . . . 5.01 110.622 179.959 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 54.0 mt-10 -65.38 -50.63 64.79 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.189 -0.46 . . . . 6.84 110.585 179.979 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 105' ' ' LEU . . . . . 0.636 HD23 HD11 ' A' ' 125' ' ' ILE . 28.9 tp -47.65 -49.39 27.54 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.265 -0.425 . . . . 4.99 110.507 -179.978 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 106' ' ' ARG . . . . . 0.566 ' O ' ' OG1' ' A' ' 110' ' ' THR . 4.9 ttp-105 -67.14 -25.21 66.07 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.216 -0.447 . . . . 15.24 110.524 -179.957 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 107' ' ' HIS . . . . . . . . . . . . . 1.3 t60 -62.45 -51.93 65.55 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.195 -0.457 . . . . 15.69 110.499 179.98 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 108' ' ' VAL . . . . . 0.493 ' O ' ' N ' ' A' ' 112' ' ' LEU . 26.7 t -62.99 -62.77 1.02 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.195 -0.457 . . . . 12.28 110.544 -179.993 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 109' ' ' MET . . . . . 0.572 ' O ' ' O ' ' A' ' 114' ' ' GLU . 22.2 mmt -48.24 -34.11 9.72 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.203 -0.453 . . . . 9.53 110.712 -179.966 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 110' ' ' THR . . . . . 0.566 ' OG1' ' O ' ' A' ' 106' ' ' ARG . 17.0 m -62.64 -54.49 38.69 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.279 -0.419 . . . . 11.87 110.661 -179.898 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 111' ' ' ASN . . . . . . . . . . . . . 6.1 m120 -83.49 -10.65 58.21 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.255 -0.43 . . . . 21.65 110.63 -179.961 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 112' ' ' LEU . . . . . 0.525 HD13 HD21 ' A' ' 39' ' ' LEU . 21.1 tp -65.86 -13.15 59.05 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.209 -0.45 . . . . 19.55 110.562 -179.98 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . 113.91 -5.82 23.95 Favored Glycine 0 CA--C 1.525 0.668 0 N-CA-C 110.989 -0.844 . . . . 19.66 110.989 179.92 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 114' ' ' GLU . . . . . 0.572 ' O ' ' O ' ' A' ' 109' ' ' MET . 5.3 mt-10 -124.33 115.62 21.29 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.789 0.328 . . . . 25.55 110.522 179.949 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 37.7 mttt -79.84 118.17 21.38 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.273 -0.421 . . . . 23.26 110.513 -179.987 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 116' ' ' LEU . . . . . 0.522 HD12 ' HB3' ' A' ' 109' ' ' MET . 1.0 OUTLIER -111.23 147.79 34.25 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.184 -0.462 . . . . 23.07 110.543 179.994 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 117' ' ' THR . . . . . . . . . . . . . 6.3 p -83.18 148.78 27.24 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.202 -0.454 . . . . 19.41 110.575 179.969 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 118' ' ' ASP . . . . . 0.518 ' O ' ' CG ' ' A' ' 122' ' ' ASP . 0.5 OUTLIER -69.61 -34.84 74.67 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.208 -0.451 . . . . 18.08 110.565 -179.991 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 119' ' ' GLU . . . . . . . . . . . . . 4.1 tm-20 -63.17 -50.82 68.85 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.218 -0.446 . . . . 20.16 110.576 179.982 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 120' ' ' GLU . . . . . . . . . . . . . 17.7 tt0 -61.98 -48.8 78.74 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.205 -0.452 . . . . 14.19 110.584 -179.963 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 121' ' ' VAL . . . . . 0.423 HG12 HD12 ' A' ' 125' ' ' ILE . 85.4 t -64.69 -38.11 81.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.18 -0.463 . . . . 14.97 110.561 179.952 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 122' ' ' ASP . . . . . 0.518 ' CG ' ' O ' ' A' ' 118' ' ' ASP . 57.7 m-20 -73.79 -40.59 63.31 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.185 -0.461 . . . . 20.12 110.585 -179.988 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 123' ' ' GLU . . . . . . . . . . . . . 20.2 tt0 -58.29 -51.96 67.57 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.243 -0.435 . . . . 15.72 110.539 179.976 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 124' ' ' MET . . . . . 0.528 ' SD ' ' O ' ' A' ' 124' ' ' MET . 0.0 OUTLIER -60.9 -52.92 62.98 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.229 -0.441 . . . . 9.75 110.6 179.971 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 125' ' ' ILE . . . . . 0.755 HG22 ' OD2' ' A' ' 129' ' ' ASP . 39.4 mt -61.66 -62.73 1.0 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.208 -0.451 . . . . 11.99 110.59 179.956 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 126' ' ' ARG . . . . . . . . . . . . . 28.3 ttp180 -44.6 -25.86 0.31 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.249 -0.432 . . . . 27.23 110.533 179.978 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 127' ' ' GLU . . . . . . . . . . . . . 74.8 tt0 -78.97 -47.29 16.59 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.217 -0.447 . . . . 15.5 110.5 -179.957 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 128' ' ' ALA . . . . . . . . . . . . . . . -75.14 -10.85 59.84 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.205 -0.452 . . . . 10.5 110.606 179.93 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 129' ' ' ASP . . . . . 0.755 ' OD2' HG22 ' A' ' 125' ' ' ILE . 70.3 m-20 -74.06 92.83 2.19 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.2 -0.455 . . . . 10.86 110.568 179.983 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 130' ' ' ILE . . . . . 0.434 HD12 ' OE2' ' A' ' 140' ' ' GLU . 39.8 mt -49.02 -42.11 14.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.179 -0.464 . . . . 12.26 110.582 -179.978 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 131' ' ' ASP . . . . . 0.573 ' OD1' ' OD1' ' A' ' 133' ' ' ASP . 3.7 p30 -86.07 -17.73 34.35 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.278 -0.419 . . . . 7.79 110.62 179.968 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 132' ' ' GLY . . . . . . . . . . . . . . . 58.81 56.32 25.97 Favored Glycine 0 CA--C 1.525 0.67 0 N-CA-C 110.928 -0.869 . . . . 3.93 110.928 -179.998 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 133' ' ' ASP . . . . . 0.573 ' OD1' ' OD1' ' A' ' 131' ' ' ASP . 1.2 p30 -101.01 -15.73 17.37 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.832 0.349 . . . . 9.56 110.611 -179.984 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 134' ' ' GLY . . . . . . . . . . . . . . . 104.92 12.19 28.4 Favored Glycine 0 CA--C 1.525 0.659 0 N-CA-C 110.937 -0.865 . . . . 7.32 110.937 -179.96 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 135' ' ' GLN . . . . . 0.563 ' O ' ' OD1' ' A' ' 129' ' ' ASP . 30.8 mt-30 -148.73 167.9 24.32 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.73 0.3 . . . . 22.05 110.442 -179.946 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 136' ' ' VAL . . . . . 0.515 HG13 ' HB3' ' A' ' 140' ' ' GLU . 35.3 t -121.63 100.3 8.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.301 -0.409 . . . . 10.34 110.599 179.962 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 137' ' ' ASN . . . . . 0.666 ' ND2' ' OE1' ' A' ' 140' ' ' GLU . 1.1 p-10 -71.23 162.49 29.34 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.158 -0.474 . . . . 12.02 110.657 -179.963 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 138' ' ' TYR . . . . . 0.47 ' CZ ' ' CD2' ' A' ' 89' ' ' PHE . 0.1 OUTLIER -51.39 -34.97 36.71 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.149 -0.478 . . . . 8.75 110.42 179.991 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 139' ' ' GLU . . . . . . . . . . . . . 1.4 tp10 -59.85 -43.28 94.72 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.172 -0.467 . . . . 22.33 110.581 179.978 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 140' ' ' GLU . . . . . 0.666 ' OE1' ' ND2' ' A' ' 137' ' ' ASN . 1.3 mp0 -64.51 -37.42 87.47 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.163 -0.471 . . . . 13.45 110.473 -179.984 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 141' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -56.99 -31.23 64.85 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.186 -0.461 . . . . 8.25 110.502 179.92 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 142' ' ' VAL . . . . . . . . . . . . . 47.6 t -68.5 -21.53 26.29 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.169 -0.469 . . . . 10.15 110.544 179.988 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 143' ' ' GLN . . . . . 0.44 ' O ' HG23 ' A' ' 146' ' ' THR . 19.7 mm100 -81.23 -31.34 33.9 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.214 -0.448 . . . . 8.24 110.519 -179.993 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 144' ' ' MET . . . . . 0.439 ' SD ' ' O ' ' A' ' 144' ' ' MET . 1.9 tmt? -79.88 -9.36 59.66 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.245 -0.434 . . . . 6.68 110.589 179.998 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 145' ' ' MET . . . . . 0.428 ' SD ' ' O ' ' A' ' 145' ' ' MET . 0.0 OUTLIER -84.64 -10.49 57.28 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.213 -0.449 . . . . 13.37 110.61 179.982 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 146' ' ' THR . . . . . 0.44 HG23 ' O ' ' A' ' 143' ' ' GLN . 0.0 OUTLIER -107.96 1.21 22.42 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.202 -0.454 . . . . 10.78 110.582 179.992 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 147' ' ' ALA . . . . . . . . . . . . . . . -64.2 104.8 0.79 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.158 -0.474 . . . . 18.52 110.56 -179.99 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 148' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER . . . . . 0 C--O 1.22 -0.481 0 CA-C-O 118.046 -0.978 . . . . 23.42 110.61 -179.988 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 401' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 402' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 403' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 404' ' ' ' TB' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 34.8 tp60 . . . . . 0 C--O 1.231 0.123 0 CA-C-O 120.827 0.346 . . . . 23.46 110.538 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 4' ' ' LEU . . . . . 0.515 HD23 ' CG1' ' A' ' 9' ' ' ILE . 1.1 tp -76.34 126.99 31.99 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.187 -0.461 . . . . 14.38 110.605 -179.973 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -74.51 148.63 40.78 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.193 -0.458 . . . . 7.34 110.546 179.963 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 6' ' ' GLU . . . . . 0.407 ' H ' ' HG3' ' A' ' 6' ' ' GLU . 24.1 mt-10 -52.87 -43.55 66.19 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.196 -0.457 . . . . 7.12 110.634 -179.975 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 1.2 tm-20 -51.42 -27.49 10.27 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.216 -0.447 . . . . 6.85 110.552 179.962 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 16.4 mt-30 -87.94 -43.85 11.46 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.237 -0.438 . . . . 15.1 110.575 -179.985 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 9' ' ' ILE . . . . . 0.515 ' CG1' HD23 ' A' ' 4' ' ' LEU . 97.6 mt -59.0 -30.66 43.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.134 -0.485 . . . . 4.72 110.638 179.953 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -70.55 -59.45 2.83 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.212 -0.449 . . . . 6.68 110.516 -179.983 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 12.6 tt0 -44.07 -40.86 5.15 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.211 -0.45 . . . . 18.49 110.601 -179.995 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 8.0 m-85 -57.75 -42.64 84.35 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.207 -0.452 . . . . 14.89 110.556 -179.988 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 8.8 ttmm -52.01 -40.19 60.64 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.193 -0.458 . . . . 18.39 110.592 179.998 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 1.1 tp10 -59.46 -39.65 84.36 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.188 -0.46 . . . . 22.76 110.576 179.984 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -61.83 -45.28 94.52 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.166 -0.47 . . . . 5.67 110.568 179.968 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 16' ' ' PHE . . . . . 0.658 ' CZ ' HD11 ' A' ' 27' ' ' ILE . 4.0 t80 -54.48 -60.16 3.72 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.28 -0.418 . . . . 13.28 110.548 -179.988 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 1.3 m -47.39 -21.74 0.35 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.21 -0.45 . . . . 12.16 110.526 179.994 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 11.9 tp -86.75 -29.13 22.6 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.195 -0.457 . . . . 17.89 110.536 -179.989 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 19' ' ' PHE . . . . . 0.465 ' N ' ' O ' ' A' ' 16' ' ' PHE . 25.1 m-85 -90.07 -50.39 6.03 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.248 -0.433 . . . . 9.14 110.554 -180.0 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 20' ' ' ASP . . . . . 0.473 ' HB2' ' CE2' ' A' ' 16' ' ' PHE . 8.7 t0 -91.91 86.94 6.03 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.26 -0.427 . . . . 7.47 110.558 179.967 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -74.95 -19.62 60.03 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.15 -0.477 . . . . 27.75 110.697 -179.892 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 22' ' ' ASP . . . . . 0.557 ' OD1' ' OE2' ' A' ' 31' ' ' GLU . 4.7 m-20 -82.17 -15.46 53.18 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.264 -0.425 . . . . 14.13 110.718 -179.869 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 59.6 37.47 92.3 Favored Glycine 0 CA--C 1.525 0.711 0 N-CA-C 110.985 -0.846 . . . . 11.51 110.985 179.981 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 72.0 m-20 -81.71 -27.48 33.9 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.768 0.318 . . . . 14.28 110.607 -179.993 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 105.23 4.42 41.09 Favored Glycine 0 CA--C 1.524 0.644 0 N-CA-C 110.949 -0.86 . . . . 9.47 110.949 -179.996 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 35.0 p -148.7 138.13 21.87 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.823 0.344 . . . . 16.41 110.572 179.994 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 27' ' ' ILE . . . . . 0.658 HD11 ' CZ ' ' A' ' 16' ' ' PHE . 7.4 mm -91.36 122.29 42.63 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.152 -0.476 . . . . 8.03 110.604 -179.99 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 63.1 p -105.63 172.59 6.72 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.225 -0.443 . . . . 7.8 110.574 -179.946 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 29' ' ' THR . . . . . 0.938 HG23 HD12 ' A' ' 52' ' ' ILE . 22.2 p -73.63 -37.6 65.31 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.212 -0.449 . . . . 10.04 110.618 179.987 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 30' ' ' LYS . . . . . 0.539 ' O ' ' OG1' ' A' ' 34' ' ' THR . 17.7 ttpp -58.27 -34.74 70.84 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.203 -0.453 . . . . 16.38 110.55 -179.973 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 31' ' ' GLU . . . . . 0.561 ' O ' HG23 ' A' ' 35' ' ' VAL . 2.1 mm-40 -85.42 -34.68 21.65 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.24 -0.436 . . . . 5.59 110.555 179.981 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 32' ' ' LEU . . . . . 0.439 ' HB3' HD11 ' A' ' 48' ' ' LEU . 15.6 tp -62.48 -55.89 23.32 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.126 -0.488 . . . . 7.72 110.626 -179.977 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 33' ' ' GLY . . . . . 0.523 ' O ' ' N ' ' A' ' 37' ' ' ARG . . . -57.31 -48.54 79.59 Favored Glycine 0 CA--C 1.525 0.675 0 N-CA-C 110.921 -0.872 . . . . 6.93 110.921 179.979 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 34' ' ' THR . . . . . 0.539 ' OG1' ' O ' ' A' ' 30' ' ' LYS . 0.1 OUTLIER -52.68 -38.64 60.9 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.808 0.337 . . . . 9.63 110.585 179.996 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 35' ' ' VAL . . . . . 0.561 HG23 ' O ' ' A' ' 31' ' ' GLU . 73.4 t -71.45 -42.23 73.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.218 -0.447 . . . . 7.07 110.609 -179.97 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 36' ' ' MET . . . . . . . . . . . . . 9.3 mmt -77.77 -24.1 49.04 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.224 -0.443 . . . . 10.12 110.628 179.957 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 37' ' ' ARG . . . . . 0.523 ' N ' ' O ' ' A' ' 33' ' ' GLY . 49.9 ttm-85 -66.66 -33.53 75.85 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.202 -0.454 . . . . 9.87 110.576 -179.992 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 5.1 t -84.61 -12.85 53.2 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.161 -0.472 . . . . 8.15 110.54 -179.98 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 39' ' ' LEU . . . . . 0.437 ' HA ' HD23 ' A' ' 39' ' ' LEU . 16.3 mt -79.8 4.97 14.81 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.184 -0.462 . . . . 12.78 110.589 -179.998 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 86.59 9.41 75.28 Favored Glycine 0 CA--C 1.525 0.696 0 N-CA-C 110.91 -0.876 . . . . 9.6 110.91 179.985 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 21.0 tt0 -101.56 146.7 27.33 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 120.817 0.341 . . . . 20.35 110.665 179.998 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 7.8 t-20 -126.81 80.04 71.35 Favored Pre-proline 0 C--N 1.329 -0.288 0 CA-C-N 116.137 -0.483 . . . . 10.22 110.504 -179.977 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 61.1 Cg_endo -78.32 146.91 22.59 Favored 'Trans proline' 0 C--N 1.305 -1.711 0 C-N-CA 122.819 2.346 . . . . 8.63 112.311 -179.9 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 23.1 p -78.87 168.66 19.39 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.095 -0.502 . . . . 4.83 110.456 179.916 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 3.2 mm-40 -65.94 -36.98 84.85 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.238 -0.437 . . . . 16.78 110.553 -179.987 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -70.23 -24.85 63.16 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.162 -0.472 . . . . 4.8 110.613 179.995 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 47' ' ' GLU . . . . . 0.56 ' O ' ' N ' ' A' ' 51' ' ' MET . 3.9 tt0 -79.73 -58.23 3.28 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.141 -0.482 . . . . 6.18 110.546 179.989 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 48' ' ' LEU . . . . . 0.45 HD22 ' HA ' ' A' ' 48' ' ' LEU . 0.1 OUTLIER -50.51 -54.78 19.68 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.21 -0.45 . . . . 6.65 110.537 179.961 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 49' ' ' GLN . . . . . 0.506 ' O ' HG22 ' A' ' 52' ' ' ILE . 28.5 mm-40 -58.74 -50.67 73.04 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.212 -0.449 . . . . 7.05 110.508 -179.997 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 50' ' ' ASP . . . . . 0.527 ' OD1' ' O ' ' A' ' 50' ' ' ASP . 38.0 t0 -67.21 -25.13 65.96 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.221 -0.445 . . . . 6.72 110.526 179.955 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 51' ' ' MET . . . . . 0.56 ' N ' ' O ' ' A' ' 47' ' ' GLU . 7.1 tpt -63.78 -50.31 69.51 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.2 -0.454 . . . . 13.6 110.567 179.983 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 52' ' ' ILE . . . . . 0.938 HD12 HG23 ' A' ' 29' ' ' THR . 6.5 tt -52.53 -36.94 22.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.232 -0.44 . . . . 8.71 110.483 179.949 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 53' ' ' ASN . . . . . 0.432 ' N ' ' CG2' ' A' ' 52' ' ' ILE . 53.5 t30 -51.77 -45.11 63.63 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.195 -0.457 . . . . 9.04 110.469 179.907 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 39.1 mt-10 -51.12 -45.62 61.65 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.23 -0.441 . . . . 23.58 110.512 -179.971 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 55' ' ' VAL . . . . . 0.772 HG22 ' HG3' ' A' ' 71' ' ' MET . 42.1 t -87.54 -11.05 10.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.229 -0.441 . . . . 7.6 110.532 179.959 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 56' ' ' ASP . . . . . 0.547 ' OD1' ' OD1' ' A' ' 60' ' ' ASP . 10.7 t0 -107.59 90.94 3.45 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.249 -0.432 . . . . 12.55 110.577 179.998 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -80.57 -32.4 36.6 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.166 -0.47 . . . . 15.13 110.563 -179.999 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 2.7 m-20 -80.7 -9.19 59.81 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.231 -0.44 . . . . 14.32 110.563 180.0 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 55.47 38.48 70.31 Favored Glycine 0 CA--C 1.524 0.624 0 N-CA-C 110.954 -0.859 . . . . 13.64 110.954 -179.983 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 60' ' ' ASP . . . . . 0.547 ' OD1' ' OD1' ' A' ' 56' ' ' ASP . 0.1 OUTLIER -79.8 -23.17 42.3 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.787 0.327 . . . . 13.27 110.512 -179.994 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 105.7 -2.61 39.09 Favored Glycine 0 CA--C 1.525 0.68 0 N-CA-C 110.931 -0.868 . . . . 11.65 110.931 -179.982 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 62' ' ' THR . . . . . 0.401 ' O ' HD13 ' A' ' 63' ' ' ILE . 0.0 OUTLIER -143.75 175.09 10.25 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.765 0.317 . . . . 11.55 110.61 179.959 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 63' ' ' ILE . . . . . 0.769 HD12 HG12 ' A' ' 55' ' ' VAL . 48.9 mm -124.18 141.03 45.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.2 -0.455 . . . . 10.06 110.628 -179.913 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 24.6 p-10 -117.77 -172.68 2.29 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.184 -0.462 . . . . 11.33 110.439 179.893 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 65' ' ' PHE . . . . . 0.433 ' CB ' ' HD3' ' A' ' 66' ' ' PRO . 0.2 OUTLIER -67.48 -53.87 21.08 Favored Pre-proline 0 C--N 1.331 -0.225 0 CA-C-N 116.528 -0.306 . . . . 7.4 110.836 -179.605 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 66' ' ' PRO . . . . . 0.433 ' HD3' ' CB ' ' A' ' 65' ' ' PHE . 44.8 Cg_exo -51.33 -40.91 61.07 Favored 'Trans proline' 0 C--N 1.309 -1.55 0 C-N-CA 122.506 2.137 . . . . 6.66 112.059 179.919 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 67' ' ' GLU . . . . . 0.537 ' CD ' ' O ' ' A' ' 55' ' ' VAL . 16.2 tt0 -83.73 -29.99 27.07 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.054 -0.521 . . . . 7.44 110.747 -179.824 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 68' ' ' PHE . . . . . . . . . . . . . 31.6 t80 -64.92 -36.31 83.97 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.265 -0.425 . . . . 8.58 110.653 -179.927 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 6.5 mp -83.47 -44.36 14.81 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.364 -0.38 . . . . 9.43 110.323 179.617 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 35.0 m -51.89 -46.04 64.4 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.115 -0.493 . . . . 7.53 110.489 179.992 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 71' ' ' MET . . . . . 0.772 ' HG3' HG22 ' A' ' 55' ' ' VAL . 0.1 OUTLIER -53.44 -46.8 70.0 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.157 -0.474 . . . . 11.86 110.597 179.889 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 72' ' ' MET . . . . . 0.485 ' N ' ' SD ' ' A' ' 71' ' ' MET . 79.0 mmm -74.95 -49.69 19.23 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.148 -0.478 . . . . 22.32 110.583 -179.999 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -57.59 -46.14 84.38 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.206 -0.452 . . . . 9.15 110.606 -179.901 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 74' ' ' ARG . . . . . 0.526 ' O ' ' N ' ' A' ' 77' ' ' LYS . 27.7 mtm180 -45.33 -52.56 9.65 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.262 -0.426 . . . . 13.8 110.594 -179.966 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 42.6 mttm -45.41 -40.29 7.96 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.226 -0.443 . . . . 25.18 110.583 179.96 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 76' ' ' MET . . . . . . . . . . . . . 20.9 mmm -72.18 -18.72 61.84 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.18 -0.463 . . . . 34.79 110.631 -179.991 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 77' ' ' LYS . . . . . 0.535 ' O ' ' OD2' ' A' ' 78' ' ' ASP . 13.9 mmmt -113.07 39.99 2.43 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.199 -0.455 . . . . 37.65 110.625 179.986 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 78' ' ' ASP . . . . . 0.535 ' OD2' ' O ' ' A' ' 77' ' ' LYS . 50.2 m-20 -170.31 -177.3 2.43 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.216 -0.447 . . . . 42.58 110.591 -180.0 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 79' ' ' THR . . . . . 0.415 HG22 ' H ' ' A' ' 79' ' ' THR . 0.1 OUTLIER -72.24 161.79 30.36 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.213 -0.449 . . . . 38.4 110.611 179.996 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 32.0 t70 -128.75 152.27 48.62 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.228 -0.442 . . . . 37.51 110.598 179.95 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -114.83 118.21 32.9 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.193 -0.458 . . . . 33.12 110.584 -179.999 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 82' ' ' GLU . . . . . 0.403 ' HG3' ' H ' ' A' ' 82' ' ' GLU . 5.0 mt-10 -56.33 -10.45 0.91 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.268 -0.424 . . . . 34.28 110.567 179.987 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 15.6 tt0 -66.16 -42.3 89.17 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.238 -0.437 . . . . 30.91 110.538 179.99 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 13.6 tp10 -67.51 -34.55 77.36 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.207 -0.451 . . . . 22.86 110.571 179.977 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 85' ' ' ILE . . . . . . . . . . . . . 10.3 mt -72.08 -21.48 20.66 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.233 -0.439 . . . . 19.17 110.635 179.993 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 45.6 mtt180 -79.4 -55.57 4.96 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.167 -0.469 . . . . 26.85 110.565 179.97 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 87' ' ' GLU . . . . . 0.817 ' O ' HG23 ' A' ' 91' ' ' VAL . 0.3 OUTLIER -56.41 -61.39 2.44 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.22 -0.445 . . . . 16.48 110.56 -179.962 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -46.11 -49.31 16.77 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.227 -0.442 . . . . 9.91 110.602 -179.951 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 89' ' ' PHE . . . . . 0.678 ' CD2' ' CZ ' ' A' ' 138' ' ' TYR . 24.7 t80 -63.62 -59.12 5.02 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.18 -0.463 . . . . 8.53 110.537 179.958 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 61.7 ttt-85 -63.58 -18.49 63.94 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.157 -0.474 . . . . 17.58 110.614 180.0 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 91' ' ' VAL . . . . . 0.817 HG23 ' O ' ' A' ' 87' ' ' GLU . 7.1 t -69.89 -20.84 23.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.164 -0.471 . . . . 7.82 110.7 -179.972 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 92' ' ' PHE . . . . . 0.407 ' CD1' HG11 ' A' ' 108' ' ' VAL . 12.1 m-85 -95.43 -31.67 13.27 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.29 -0.414 . . . . 9.11 110.672 -179.883 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 93' ' ' ASP . . . . . 0.491 ' OD2' ' N ' ' A' ' 97' ' ' ASN . 15.6 t70 -82.77 68.73 9.36 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.269 -0.423 . . . . 11.11 110.719 -179.829 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 17.4 tttt -45.79 -18.28 0.04 OUTLIER 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.141 -0.481 . . . . 14.57 111.215 -179.742 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 95' ' ' ASP . . . . . 0.534 ' OD1' ' OE2' ' A' ' 104' ' ' GLU . 0.0 OUTLIER -75.09 -8.71 57.31 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-O 120.898 0.38 . . . . 10.2 110.653 -179.764 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 60.2 9.53 11.87 Favored Glycine 0 CA--C 1.525 0.684 0 N-CA-C 110.855 -0.898 . . . . 6.24 110.855 -179.894 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 97' ' ' ASN . . . . . 0.54 ' ND2' ' O ' ' A' ' 97' ' ' ASN . 1.7 t-20 -83.7 -20.04 34.19 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.854 0.359 . . . . 7.56 110.368 179.871 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . 82.99 30.04 32.7 Favored Glycine 0 CA--C 1.525 0.687 0 N-CA-C 111.092 -0.803 . . . . 7.08 111.092 179.844 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 99' ' ' TYR . . . . . 0.665 ' CE2' ' OD1' ' A' ' 137' ' ' ASN . 28.9 m-85 -130.78 134.82 47.19 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.826 0.346 . . . . 9.0 110.622 179.889 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 77.1 mt -122.23 99.31 6.77 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.257 0 CA-C-N 116.119 -0.491 . . . . 9.29 110.667 -179.987 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 101' ' ' SER . . . . . 0.492 ' O ' ' N ' ' A' ' 103' ' ' ALA . 41.7 m -88.44 151.69 22.39 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.247 -0.433 . . . . 7.02 110.595 -179.945 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -42.77 -20.75 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.124 -0.489 . . . . 6.41 110.641 -179.9 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 103' ' ' ALA . . . . . 0.492 ' N ' ' O ' ' A' ' 101' ' ' SER . . . -83.35 -60.05 2.26 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.26 -0.427 . . . . 5.01 110.647 179.97 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 104' ' ' GLU . . . . . 0.534 ' OE2' ' OD1' ' A' ' 95' ' ' ASP . 47.5 mt-10 -50.59 -48.2 57.78 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.205 -0.452 . . . . 6.84 110.574 179.968 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 105' ' ' LEU . . . . . 0.537 HD23 HG13 ' A' ' 121' ' ' VAL . 9.1 tp -53.79 -42.1 67.96 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.218 -0.446 . . . . 4.99 110.545 -179.952 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 106' ' ' ARG . . . . . 0.671 ' HG3' HG11 ' A' ' 121' ' ' VAL . 18.9 mtp-105 -71.25 -19.32 62.37 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.232 -0.44 . . . . 15.24 110.594 -179.988 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 107' ' ' HIS . . . . . . . . . . . . . 1.2 t60 -73.68 -46.34 47.0 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.212 -0.449 . . . . 15.69 110.678 -179.925 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 108' ' ' VAL . . . . . 0.419 ' C ' ' N ' ' A' ' 110' ' ' THR . 58.4 t -81.61 -61.07 1.86 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.225 -0.443 . . . . 12.28 110.669 -179.876 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 109' ' ' MET . . . . . . . . . . . . . 20.6 mmm -47.57 -17.72 0.1 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.23 -0.441 . . . . 9.53 110.664 -179.789 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 110' ' ' THR . . . . . 0.57 ' OG1' ' O ' ' A' ' 106' ' ' ARG . 1.4 m -79.99 -43.94 21.11 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.334 -0.394 . . . . 11.87 110.729 -179.905 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 111' ' ' ASN . . . . . . . . . . . . . 9.5 m-20 -61.57 -16.28 46.52 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.401 -0.363 . . . . 21.65 110.709 -179.836 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 3.8 mm? -49.93 -34.3 20.17 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.33 -0.396 . . . . 19.55 110.562 -179.985 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . 115.64 9.95 12.02 Favored Glycine 0 CA--C 1.525 0.664 0 N-CA-C 110.732 -0.947 . . . . 19.66 110.732 -179.718 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 114' ' ' GLU . . . . . 0.691 ' O ' HD23 ' A' ' 116' ' ' LEU . 7.3 pt-20 -124.39 129.23 50.32 Favored 'General case' 0 C--N 1.329 -0.29 0 N-CA-C 110.194 -0.299 . . . . 25.55 110.194 179.602 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 25.3 mtmt -78.93 116.83 19.49 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.809 0.338 . . . . 23.26 110.74 -179.884 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 116' ' ' LEU . . . . . 0.691 HD23 ' O ' ' A' ' 114' ' ' GLU . 0.2 OUTLIER -107.84 159.02 16.83 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.182 -0.463 . . . . 23.07 110.467 179.936 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 117' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -97.77 148.66 23.15 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.176 -0.465 . . . . 19.41 110.559 -179.983 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 118' ' ' ASP . . . . . 0.512 ' OD2' ' NH1' ' A' ' 106' ' ' ARG . 0.0 OUTLIER -70.49 -38.64 74.37 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.216 -0.447 . . . . 18.08 110.576 179.989 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 119' ' ' GLU . . . . . 0.494 ' O ' ' CD ' ' A' ' 123' ' ' GLU . 31.9 mt-10 -57.15 -31.47 65.4 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.215 -0.448 . . . . 20.16 110.567 179.986 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 120' ' ' GLU . . . . . . . . . . . . . 61.2 mt-10 -80.06 -60.07 2.48 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.197 -0.456 . . . . 14.19 110.576 179.975 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 121' ' ' VAL . . . . . 0.671 HG11 ' HG3' ' A' ' 106' ' ' ARG . 64.3 t -51.27 -51.98 21.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.161 -0.472 . . . . 14.97 110.543 -179.968 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 122' ' ' ASP . . . . . . . . . . . . . 42.8 m-20 -54.87 -38.28 67.31 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.168 -0.469 . . . . 20.12 110.534 -179.976 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 123' ' ' GLU . . . . . 0.661 ' O ' ' N ' ' A' ' 127' ' ' GLU . 26.6 mt-10 -70.77 -50.25 37.97 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.224 -0.444 . . . . 15.72 110.562 179.982 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 124' ' ' MET . . . . . . . . . . . . . 0.2 OUTLIER -52.75 -61.21 2.44 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.155 -0.475 . . . . 9.75 110.561 -179.947 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 125' ' ' ILE . . . . . 0.512 ' CG2' ' N ' ' A' ' 126' ' ' ARG . 10.3 tt -55.52 -41.0 61.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.175 -0.466 . . . . 11.99 110.585 179.999 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 126' ' ' ARG . . . . . 0.512 ' N ' ' CG2' ' A' ' 125' ' ' ILE . 7.4 tmm_? -79.42 -19.31 50.3 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.201 -0.454 . . . . 27.23 110.592 -179.986 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 127' ' ' GLU . . . . . 0.661 ' N ' ' O ' ' A' ' 123' ' ' GLU . 6.7 mm-40 -85.17 -19.45 31.73 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.261 -0.427 . . . . 15.5 110.56 -179.969 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 128' ' ' ALA . . . . . 0.401 ' O ' HD13 ' A' ' 130' ' ' ILE . . . -100.27 -31.13 11.51 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.238 -0.437 . . . . 10.5 110.591 179.948 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 129' ' ' ASP . . . . . 0.606 ' OD2' ' N ' ' A' ' 132' ' ' GLY . 30.3 t0 -60.82 94.81 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.154 -0.475 . . . . 10.86 110.601 -179.914 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 130' ' ' ILE . . . . . 0.81 ' H ' HD13 ' A' ' 130' ' ' ILE . 0.0 OUTLIER -48.46 -23.82 0.86 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.109 -0.496 . . . . 12.26 110.729 -179.733 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 131' ' ' ASP . . . . . 0.551 ' N ' ' OD2' ' A' ' 129' ' ' ASP . 0.0 OUTLIER -97.73 -18.13 19.0 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.397 -0.365 . . . . 7.79 110.596 179.972 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 132' ' ' GLY . . . . . 0.606 ' N ' ' OD2' ' A' ' 129' ' ' ASP . . . 62.0 55.57 27.37 Favored Glycine 0 CA--C 1.525 0.706 0 N-CA-C 110.833 -0.907 . . . . 3.93 110.833 -179.942 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 133' ' ' ASP . . . . . 0.466 ' H ' ' CG ' ' A' ' 129' ' ' ASP . 21.1 t0 -100.93 10.45 41.1 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.757 0.313 . . . . 9.56 110.64 -179.935 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 134' ' ' GLY . . . . . . . . . . . . . . . 72.18 -3.9 20.49 Favored Glycine 0 CA--C 1.525 0.669 0 N-CA-C 110.855 -0.898 . . . . 7.32 110.855 -179.944 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 135' ' ' GLN . . . . . 0.662 ' NE2' ' O ' ' A' ' 136' ' ' VAL . 1.5 tm0? -137.84 158.54 44.13 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.77 0.319 . . . . 22.05 110.39 179.931 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 136' ' ' VAL . . . . . 0.662 ' O ' ' NE2' ' A' ' 135' ' ' GLN . 13.6 t -108.04 134.27 50.39 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.283 -0.417 . . . . 10.34 110.626 -179.978 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 137' ' ' ASN . . . . . 0.665 ' OD1' ' CE2' ' A' ' 99' ' ' TYR . 33.9 m-20 -110.04 159.36 17.37 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.107 -0.497 . . . . 12.02 110.207 179.467 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 138' ' ' TYR . . . . . 0.678 ' CZ ' ' CD2' ' A' ' 89' ' ' PHE . 0.8 OUTLIER -54.69 -31.72 58.29 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.823 0.344 . . . . 8.75 110.396 179.864 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 139' ' ' GLU . . . . . . . . . . . . . 82.8 mt-10 -66.03 -42.56 89.44 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.157 -0.474 . . . . 22.33 110.501 179.879 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 140' ' ' GLU . . . . . . . . . . . . . 1.8 mt-10 -63.48 -38.92 92.97 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.151 -0.477 . . . . 13.45 110.375 179.96 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 141' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -50.05 -38.56 38.56 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.143 -0.481 . . . . 8.25 110.34 179.846 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 142' ' ' VAL . . . . . . . . . . . . . 88.7 t -73.52 -37.01 49.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.147 -0.479 . . . . 10.15 110.481 179.936 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 143' ' ' GLN . . . . . . . . . . . . . 17.9 mm100 -48.51 -54.87 12.68 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.178 -0.465 . . . . 8.24 110.492 179.986 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 144' ' ' MET . . . . . . . . . . . . . 31.4 ttp -49.1 -46.6 45.02 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.199 -0.455 . . . . 6.68 110.422 179.974 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 145' ' ' MET . . . . . . . . . . . . . 22.4 ttm . . . . . 0 C--N 1.329 -0.286 0 CA-C-N 116.141 -0.481 . . . . 13.37 110.518 179.902 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 3.6 pm0 . . . . . 0 C--O 1.231 0.122 0 CA-C-O 120.794 0.331 . . . . 23.46 110.587 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 4' ' ' LEU . . . . . 0.431 ' O ' HD11 ' A' ' 9' ' ' ILE . 1.5 tp -83.95 127.83 34.13 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.21 -0.45 . . . . 14.38 110.567 179.999 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -66.38 148.57 51.68 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.197 -0.456 . . . . 7.34 110.604 179.995 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 86.9 mt-10 -51.72 -40.9 61.01 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.211 -0.45 . . . . 7.12 110.574 179.957 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 2.8 tp10 -51.49 -59.6 4.07 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.207 -0.451 . . . . 6.85 110.546 -179.964 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 6.6 mm100 -60.6 -47.01 88.1 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.175 -0.466 . . . . 15.1 110.56 -179.948 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 9' ' ' ILE . . . . . 0.431 HD11 ' O ' ' A' ' 4' ' ' LEU . 96.5 mt -53.85 -29.51 18.18 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.213 -0.449 . . . . 4.72 110.594 -179.994 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -75.04 -59.29 2.8 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.177 -0.465 . . . . 6.68 110.569 -179.973 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -49.07 -28.04 3.82 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.207 -0.452 . . . . 18.49 110.596 179.986 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 12' ' ' PHE . . . . . 0.799 ' HB3' HD21 ' A' ' 69' ' ' LEU . 2.1 m-85 -68.38 -49.58 59.11 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.198 -0.455 . . . . 14.89 110.54 179.999 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 7.2 tttm -46.86 -26.69 1.03 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.186 -0.461 . . . . 18.39 110.565 179.983 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 63.7 mm-40 -66.86 -46.35 75.31 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.139 -0.482 . . . . 22.76 110.506 179.909 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -52.88 -28.01 21.2 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.144 -0.48 . . . . 5.67 110.558 179.963 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 16' ' ' PHE . . . . . 0.475 ' CE2' ' CB ' ' A' ' 20' ' ' ASP . 14.3 t80 -70.74 -60.12 2.43 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.19 -0.459 . . . . 13.28 110.525 179.981 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 2.5 m -46.36 -21.51 0.17 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.208 -0.451 . . . . 12.16 110.512 179.936 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 18' ' ' LEU . . . . . 0.405 ' N ' ' C ' ' A' ' 16' ' ' PHE . 1.7 mm? -70.86 -46.19 63.09 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.094 -0.503 . . . . 17.89 110.521 179.973 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 65.1 m-85 -90.01 -50.28 6.11 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.217 -0.447 . . . . 9.14 110.535 179.9 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 20' ' ' ASP . . . . . 0.507 ' OD2' ' CD1' ' A' ' 27' ' ' ILE . 6.1 t70 -69.03 68.46 0.17 Allowed 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.221 -0.445 . . . . 7.47 110.566 -179.966 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 3.8 tttm -75.14 -19.58 59.82 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.17 -0.468 . . . . 27.75 110.617 -179.946 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 2.8 m-20 -85.32 -15.23 44.02 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.285 -0.416 . . . . 14.13 110.648 -179.937 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 55.64 34.76 60.88 Favored Glycine 0 CA--C 1.524 0.648 0 N-CA-C 110.939 -0.864 . . . . 11.51 110.939 179.976 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -82.54 -25.8 33.04 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.756 0.312 . . . . 14.28 110.599 -179.986 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 105.18 -4.97 41.41 Favored Glycine 0 CA--C 1.523 0.59 0 N-CA-C 110.92 -0.872 . . . . 9.47 110.92 -179.974 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 26' ' ' THR . . . . . 0.561 HG22 ' O ' ' A' ' 63' ' ' ILE . 0.2 OUTLIER -141.79 152.55 43.84 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.755 0.312 . . . . 16.41 110.52 -179.965 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 27' ' ' ILE . . . . . 0.507 ' CD1' ' OD2' ' A' ' 20' ' ' ASP . 4.6 mm -120.24 127.71 75.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.239 -0.437 . . . . 8.03 110.547 -179.942 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 28' ' ' THR . . . . . 0.412 ' OG1' ' N ' ' A' ' 29' ' ' THR . 0.1 OUTLIER -111.05 171.21 7.6 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.168 -0.469 . . . . 7.8 110.556 179.944 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 29' ' ' THR . . . . . 0.414 HG22 ' H ' ' A' ' 29' ' ' THR . 0.5 OUTLIER -67.59 -16.2 64.05 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.241 -0.436 . . . . 10.04 110.577 179.985 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -77.11 -38.28 52.49 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.168 -0.469 . . . . 16.38 110.595 -179.976 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 51.9 mt-10 -81.33 -31.59 33.41 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.21 -0.45 . . . . 5.59 110.533 180.0 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 32' ' ' LEU . . . . . 0.533 HD13 ' O ' ' A' ' 32' ' ' LEU . 0.2 OUTLIER -63.87 -59.82 4.05 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.149 -0.478 . . . . 7.72 110.545 179.978 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -45.42 -49.74 10.82 Favored Glycine 0 CA--C 1.525 0.673 0 N-CA-C 110.894 -0.882 . . . . 6.93 110.894 179.982 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -46.41 -41.46 13.74 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.8 0.333 . . . . 9.63 110.537 -179.983 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 89.2 t -60.75 -46.15 96.54 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.199 -0.455 . . . . 7.07 110.481 179.98 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 36' ' ' MET . . . . . . . . . . . . . 21.9 mmt -60.64 -30.88 70.14 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.225 -0.443 . . . . 10.12 110.553 179.929 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 1.2 tpt85 -62.78 -24.02 67.52 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.157 -0.474 . . . . 9.87 110.501 179.978 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 1.3 m -82.09 -23.44 35.74 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.166 -0.47 . . . . 8.15 110.484 179.957 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 9.7 mt -91.8 14.69 14.69 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.207 -0.451 . . . . 12.78 110.516 179.953 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 64.39 26.95 71.05 Favored Glycine 0 CA--C 1.525 0.664 0 N-CA-C 110.916 -0.874 . . . . 9.6 110.916 179.982 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 12.3 mt-30 -101.45 155.27 18.16 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.824 0.345 . . . . 20.35 110.587 -179.968 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 5.0 m-20 -127.71 81.21 70.66 Favored Pre-proline 0 C--N 1.329 -0.315 0 CA-C-N 116.208 -0.451 . . . . 10.22 110.5 -179.993 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 59.5 Cg_endo -77.93 144.41 21.53 Favored 'Trans proline' 0 C--N 1.306 -1.665 0 C-N-CA 122.76 2.307 . . . . 8.63 112.245 -179.912 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 44' ' ' THR . . . . . 0.411 ' O ' ' N ' ' A' ' 47' ' ' GLU . 16.5 p -94.1 151.34 19.57 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.125 -0.489 . . . . 4.83 110.586 179.996 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 13.3 tt0 -46.65 -48.77 19.92 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.23 -0.441 . . . . 16.78 110.547 179.997 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -58.7 -18.96 35.63 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.199 -0.455 . . . . 4.8 110.531 179.972 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 47' ' ' GLU . . . . . 0.411 ' N ' ' O ' ' A' ' 44' ' ' THR . 0.3 OUTLIER -82.51 -57.27 3.42 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.211 -0.449 . . . . 6.18 110.554 179.997 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 17.9 mt -58.01 -54.94 41.32 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.177 -0.465 . . . . 6.65 110.564 179.973 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 35.2 tt0 -50.14 -44.38 52.4 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.222 -0.445 . . . . 7.05 110.557 179.981 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 12.6 t0 -74.27 -31.23 62.46 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.243 -0.435 . . . . 6.72 110.557 -179.997 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 51' ' ' MET . . . . . . . . . . . . . 13.8 tpt -66.65 -46.82 74.49 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.201 -0.454 . . . . 13.6 110.482 -179.993 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 52' ' ' ILE . . . . . 0.449 ' HA ' HD13 ' A' ' 52' ' ' ILE . 38.5 mm -50.63 -48.18 27.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.195 -0.457 . . . . 8.71 110.523 179.997 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 2.9 t30 -50.54 -46.35 57.38 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.236 -0.438 . . . . 9.04 110.598 179.999 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 1.3 tt0 -51.2 -30.02 15.83 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.226 -0.443 . . . . 23.58 110.539 -179.919 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 55' ' ' VAL . . . . . 0.588 HG22 ' HG3' ' A' ' 71' ' ' MET . 59.7 t -95.0 -19.09 6.53 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.216 -0.447 . . . . 7.6 110.557 179.991 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 56' ' ' ASP . . . . . 0.568 ' OD1' ' O ' ' A' ' 62' ' ' THR . 0.5 OUTLIER -99.49 111.94 24.22 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.196 -0.456 . . . . 12.55 110.565 -179.986 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -80.97 -23.06 39.05 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.214 -0.448 . . . . 15.13 110.562 179.995 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 58' ' ' ASP . . . . . 0.611 ' N ' ' OD1' ' A' ' 58' ' ' ASP . 0.6 OUTLIER -94.82 -10.38 31.57 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.183 -0.462 . . . . 14.32 110.611 179.966 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 55.62 45.02 86.11 Favored Glycine 0 CA--C 1.525 0.661 0 N-CA-C 110.892 -0.883 . . . . 13.64 110.892 179.95 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 60' ' ' ASP . . . . . 0.564 ' OD1' ' OD1' ' A' ' 58' ' ' ASP . 1.9 p-10 -88.17 -25.5 22.9 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.886 0.375 . . . . 13.27 110.603 179.946 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 105.63 18.95 10.89 Favored Glycine 0 CA--C 1.525 0.668 0 N-CA-C 110.912 -0.875 . . . . 11.65 110.912 179.983 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 62' ' ' THR . . . . . 0.568 ' O ' ' OD1' ' A' ' 56' ' ' ASP . 0.7 OUTLIER -148.89 153.75 38.47 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.774 0.321 . . . . 11.55 110.584 179.996 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 63' ' ' ILE . . . . . 0.561 ' O ' HG22 ' A' ' 26' ' ' THR . 94.6 mt -120.84 125.69 74.35 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.224 -0.444 . . . . 10.06 110.607 -179.993 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 64' ' ' ASP . . . . . 0.637 ' OD2' ' N ' ' A' ' 64' ' ' ASP . 0.0 OUTLIER -94.3 -176.05 3.84 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.214 -0.448 . . . . 11.33 110.5 -179.999 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 65' ' ' PHE . . . . . 0.52 ' N ' ' HD2' ' A' ' 66' ' ' PRO . 1.4 t80 -70.25 -56.83 6.48 Favored Pre-proline 0 C--N 1.33 -0.269 0 CA-C-N 116.225 -0.443 . . . . 7.4 110.943 179.997 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 66' ' ' PRO . . . . . 0.52 ' HD2' ' N ' ' A' ' 65' ' ' PHE . 12.3 Cg_endo -57.5 -53.35 4.75 Favored 'Trans proline' 0 N--CA 1.493 1.497 0 C-N-CA 122.213 1.942 . . . . 6.66 111.971 179.65 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 67' ' ' GLU . . . . . 0.574 ' OE2' ' OD1' ' A' ' 64' ' ' ASP . 68.4 mt-10 -55.59 -17.74 6.19 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.218 -0.446 . . . . 7.44 110.404 179.858 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 68' ' ' PHE . . . . . . . . . . . . . 36.4 t80 -81.45 -25.29 36.23 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.123 -0.49 . . . . 8.58 110.529 179.96 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 69' ' ' LEU . . . . . 0.799 HD21 ' HB3' ' A' ' 12' ' ' PHE . 5.6 mt -83.26 -45.73 13.48 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.244 -0.435 . . . . 9.43 110.362 179.699 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 70' ' ' THR . . . . . 0.596 ' CG2' ' N ' ' A' ' 71' ' ' MET . 2.4 t -56.34 -47.51 78.64 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.12 -0.491 . . . . 7.53 110.543 179.976 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 71' ' ' MET . . . . . 0.626 ' C ' ' SD ' ' A' ' 71' ' ' MET . 0.8 OUTLIER -49.62 -46.75 49.7 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.173 -0.467 . . . . 11.86 110.491 179.864 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 72' ' ' MET . . . . . 0.572 ' N ' ' SD ' ' A' ' 71' ' ' MET . 0.0 OUTLIER -78.0 -49.84 13.29 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.213 -0.448 . . . . 22.32 110.518 -179.976 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -56.87 -54.64 44.15 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.263 -0.426 . . . . 9.15 110.529 179.97 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 74' ' ' ARG . . . . . 0.533 ' O ' ' N ' ' A' ' 77' ' ' LYS . 35.8 mmt-85 -45.49 -44.21 12.28 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.162 -0.472 . . . . 13.8 110.48 -179.985 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -45.17 -43.58 10.12 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.249 -0.432 . . . . 25.18 110.517 179.965 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 76' ' ' MET . . . . . . . . . . . . . 85.8 mtp -76.57 -11.75 59.91 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.16 -0.473 . . . . 34.79 110.544 -179.985 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 77' ' ' LYS . . . . . 0.533 ' N ' ' O ' ' A' ' 74' ' ' ARG . 23.3 tttm -102.22 39.93 1.42 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.211 -0.45 . . . . 37.65 110.631 -179.997 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 78' ' ' ASP . . . . . 0.408 ' C ' ' OD1' ' A' ' 78' ' ' ASP . 18.9 p30 -174.7 -168.07 0.34 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.182 -0.463 . . . . 42.58 110.541 179.955 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 7.5 t -73.25 164.53 26.54 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.213 -0.448 . . . . 38.4 110.52 -179.978 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 3.9 m-20 -130.58 152.09 50.33 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.19 -0.459 . . . . 37.51 110.579 -179.99 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 1.5 m -103.79 137.76 41.35 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.196 -0.456 . . . . 33.12 110.565 179.989 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 82' ' ' GLU . . . . . 0.461 ' O ' ' CG1' ' A' ' 85' ' ' ILE . 16.6 mt-10 -80.95 -15.25 56.76 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.226 -0.443 . . . . 34.28 110.536 -179.982 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -69.45 -35.65 75.86 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.26 -0.427 . . . . 30.91 110.56 -179.951 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 15.6 tm-20 -64.5 -60.42 3.16 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.241 -0.436 . . . . 22.86 110.538 -179.996 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 85' ' ' ILE . . . . . 0.461 ' CG1' ' O ' ' A' ' 82' ' ' GLU . 5.5 pt -43.74 -27.69 0.36 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.142 -0.481 . . . . 19.17 110.576 179.964 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 22.1 ttp85 -70.75 -56.23 6.84 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.162 -0.472 . . . . 26.85 110.585 179.971 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 87' ' ' GLU . . . . . 0.646 ' O ' HG23 ' A' ' 91' ' ' VAL . 15.7 mt-10 -59.12 -61.89 2.3 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.221 -0.445 . . . . 16.48 110.611 -179.974 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 88' ' ' ALA . . . . . 0.426 ' O ' ' CD2' ' A' ' 92' ' ' PHE . . . -43.6 -40.98 4.35 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.194 -0.457 . . . . 9.91 110.652 -179.969 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 89' ' ' PHE . . . . . 0.471 ' CE1' HD11 ' A' ' 100' ' ' ILE . 34.5 t80 -70.7 -62.9 1.22 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.188 -0.46 . . . . 8.53 110.546 179.977 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 32.4 ttp180 -51.11 -18.7 0.9 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.23 -0.441 . . . . 17.58 110.588 179.942 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 91' ' ' VAL . . . . . 0.646 HG23 ' O ' ' A' ' 87' ' ' GLU . 37.6 t -74.19 -22.52 18.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.148 -0.478 . . . . 7.82 110.644 179.974 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 92' ' ' PHE . . . . . 0.495 ' CD1' HG11 ' A' ' 108' ' ' VAL . 65.4 m-85 -95.33 -22.84 17.49 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.219 -0.446 . . . . 9.11 110.62 -179.936 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 93' ' ' ASP . . . . . 0.575 ' OD1' ' N ' ' A' ' 99' ' ' TYR . 1.5 m-20 -99.02 68.69 1.71 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.274 -0.421 . . . . 11.11 110.692 -179.812 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -48.68 -18.69 0.28 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.297 -0.41 . . . . 14.57 111.022 -179.719 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . 49.5 m-20 -76.42 -12.48 60.06 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.864 0.364 . . . . 10.2 110.614 -179.862 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 60.45 25.67 63.26 Favored Glycine 0 CA--C 1.525 0.703 0 N-CA-C 110.955 -0.858 . . . . 6.24 110.955 -179.89 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 97' ' ' ASN . . . . . 0.677 ' O ' ' CD2' ' A' ' 99' ' ' TYR . 45.4 p-10 -95.58 -3.87 45.62 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.879 0.371 . . . . 7.56 110.326 179.812 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . 67.51 29.29 73.91 Favored Glycine 0 CA--C 1.525 0.679 0 N-CA-C 110.972 -0.851 . . . . 7.08 110.972 179.931 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 99' ' ' TYR . . . . . 0.677 ' CD2' ' O ' ' A' ' 97' ' ' ASN . 67.1 m-85 -148.36 135.01 19.82 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.778 0.323 . . . . 9.0 110.559 179.882 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 100' ' ' ILE . . . . . 0.471 HD11 ' CE1' ' A' ' 89' ' ' PHE . 0.0 OUTLIER -122.23 117.35 51.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.268 -0.423 . . . . 9.29 110.494 179.987 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 101' ' ' SER . . . . . 0.491 ' O ' ' N ' ' A' ' 103' ' ' ALA . 1.4 t -89.41 151.7 21.89 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.278 -0.419 . . . . 7.02 110.585 179.889 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -43.66 -19.41 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.255 -0.43 . . . . 6.41 110.641 -179.949 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 103' ' ' ALA . . . . . 0.491 ' N ' ' O ' ' A' ' 101' ' ' SER . . . -81.75 -39.49 24.09 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.19 -0.459 . . . . 5.01 110.577 -179.944 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 104' ' ' GLU . . . . . 0.448 ' N ' ' O ' ' A' ' 101' ' ' SER . 26.7 mt-10 -75.14 -55.02 6.15 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.223 -0.444 . . . . 6.84 110.654 -179.975 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 105' ' ' LEU . . . . . 0.409 ' O ' HD23 ' A' ' 105' ' ' LEU . 0.9 OUTLIER -47.76 -48.24 30.11 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.245 -0.434 . . . . 4.99 110.584 -179.922 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 106' ' ' ARG . . . . . 0.517 ' O ' ' OG1' ' A' ' 110' ' ' THR . 12.3 ttp180 -67.01 -19.96 65.79 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.184 -0.462 . . . . 15.24 110.592 179.996 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 107' ' ' HIS . . . . . . . . . . . . . 8.3 t-80 -74.61 -40.85 61.3 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.265 -0.425 . . . . 15.69 110.653 -179.947 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 108' ' ' VAL . . . . . 0.495 HG11 ' CD1' ' A' ' 92' ' ' PHE . 25.7 t -78.91 -62.61 1.33 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.25 -0.432 . . . . 12.28 110.586 -179.945 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 109' ' ' MET . . . . . 0.44 ' HA ' HD23 ' A' ' 112' ' ' LEU . 1.8 tpt -49.73 -16.14 0.22 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.216 -0.447 . . . . 9.53 110.645 -179.885 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 110' ' ' THR . . . . . 0.517 ' OG1' ' O ' ' A' ' 106' ' ' ARG . 1.4 m -79.55 -44.94 20.17 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.285 -0.416 . . . . 11.87 110.711 -179.874 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 111' ' ' ASN . . . . . 0.654 ' ND2' ' O ' ' A' ' 111' ' ' ASN . 0.4 OUTLIER -62.67 -13.88 37.26 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.333 -0.394 . . . . 21.65 110.759 -179.784 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 112' ' ' LEU . . . . . 0.44 HD23 ' HA ' ' A' ' 109' ' ' MET . 3.8 mm? -50.03 -32.55 15.66 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.319 -0.401 . . . . 19.55 110.595 -179.973 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . 115.01 7.0 18.03 Favored Glycine 0 CA--C 1.525 0.697 0 N-CA-C 110.918 -0.873 . . . . 19.66 110.918 -179.982 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 7.9 tt0 -124.61 132.78 53.41 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.662 0.268 . . . . 25.55 110.366 179.794 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 13.9 tttp -82.23 114.1 20.5 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.405 -0.362 . . . . 23.26 110.548 179.974 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 116' ' ' LEU . . . . . . . . . . . . . 1.5 mt -107.02 156.17 19.03 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.251 -0.431 . . . . 23.07 110.6 179.993 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 117' ' ' THR . . . . . . . . . . . . . 11.6 p -78.78 148.71 32.84 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.179 -0.464 . . . . 19.41 110.586 179.975 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 118' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -77.39 -37.36 52.16 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.225 -0.443 . . . . 18.08 110.589 -179.953 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 119' ' ' GLU . . . . . . . . . . . . . 18.2 pt-20 -61.04 -28.73 69.27 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.196 -0.456 . . . . 20.16 110.572 -179.958 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 120' ' ' GLU . . . . . 0.442 ' HG2' ' SD ' ' A' ' 124' ' ' MET . 33.6 tt0 -83.38 -40.17 19.73 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.171 -0.468 . . . . 14.19 110.578 -179.953 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 121' ' ' VAL . . . . . 0.439 HG11 ' HB2' ' A' ' 106' ' ' ARG . 69.2 t -68.99 -29.0 41.76 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.174 -0.466 . . . . 14.97 110.588 -179.964 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 122' ' ' ASP . . . . . . . . . . . . . 1.5 m-20 -83.06 -54.57 4.95 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.251 -0.431 . . . . 20.12 110.629 179.981 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 123' ' ' GLU . . . . . . . . . . . . . 16.2 tt0 -54.87 -45.12 74.57 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.201 -0.454 . . . . 15.72 110.635 179.985 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 124' ' ' MET . . . . . 0.442 ' SD ' ' HG2' ' A' ' 120' ' ' GLU . 12.1 mtp -57.19 -62.05 2.03 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.163 -0.471 . . . . 9.75 110.603 -179.941 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 125' ' ' ILE . . . . . 0.571 ' O ' ' OD2' ' A' ' 129' ' ' ASP . 65.2 mt -54.61 -41.77 57.02 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.19 -0.459 . . . . 11.99 110.582 179.996 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 126' ' ' ARG . . . . . 0.45 ' HB2' ' NH2' ' A' ' 126' ' ' ARG . 0.0 OUTLIER -66.17 -19.31 65.79 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.192 -0.458 . . . . 27.23 110.579 179.958 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 127' ' ' GLU . . . . . . . . . . . . . 9.2 tp10 -77.81 -55.77 5.05 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.242 -0.436 . . . . 15.5 110.642 -179.91 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 128' ' ' ALA . . . . . . . . . . . . . . . -73.51 -13.85 61.12 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.232 -0.44 . . . . 10.5 110.653 -179.879 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 129' ' ' ASP . . . . . 0.571 ' OD2' ' O ' ' A' ' 125' ' ' ILE . 11.7 m-20 -70.57 92.8 0.86 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.248 -0.433 . . . . 10.86 110.587 -179.968 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 130' ' ' ILE . . . . . 0.525 ' N ' ' OE1' ' A' ' 140' ' ' GLU . 51.6 mt -48.7 -40.01 11.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.14 -0.482 . . . . 12.26 110.573 -179.959 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 131' ' ' ASP . . . . . . . . . . . . . 2.0 m-20 -85.53 -17.75 35.46 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.193 -0.458 . . . . 7.79 110.508 179.963 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 132' ' ' GLY . . . . . . . . . . . . . . . 55.2 43.27 83.89 Favored Glycine 0 CA--C 1.525 0.669 0 N-CA-C 110.916 -0.874 . . . . 3.93 110.916 179.956 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 133' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -96.35 0.69 51.03 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.844 0.354 . . . . 9.56 110.598 179.987 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 134' ' ' GLY . . . . . . . . . . . . . . . 90.21 4.07 71.86 Favored Glycine 0 CA--C 1.525 0.683 0 N-CA-C 110.929 -0.868 . . . . 7.32 110.929 179.996 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 135' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -135.86 155.17 50.73 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.796 0.332 . . . . 22.05 110.552 -179.953 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 136' ' ' VAL . . . . . 0.445 HG22 ' OD2' ' A' ' 129' ' ' ASP . 47.1 t -110.16 141.96 23.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.162 -0.472 . . . . 10.34 110.57 -179.991 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 137' ' ' ASN . . . . . 0.469 ' N ' ' ND2' ' A' ' 137' ' ' ASN . 0.6 OUTLIER -109.35 159.67 16.8 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.164 -0.471 . . . . 12.02 110.361 179.719 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 138' ' ' TYR . . . . . . . . . . . . . 15.9 t80 -55.22 -25.37 32.68 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.356 -0.384 . . . . 8.75 110.56 179.98 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 139' ' ' GLU . . . . . . . . . . . . . 25.6 tt0 -70.66 -37.97 73.75 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.155 -0.475 . . . . 22.33 110.617 179.931 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 140' ' ' GLU . . . . . 0.525 ' OE1' ' N ' ' A' ' 130' ' ' ILE . 7.2 mt-10 -63.62 -41.66 98.26 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.197 -0.456 . . . . 13.45 110.527 179.962 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 141' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER -50.12 -46.73 54.04 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.157 -0.474 . . . . 8.25 110.502 -179.986 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 142' ' ' VAL . . . . . 0.411 ' O ' ' N ' ' A' ' 145' ' ' MET . 75.2 t -67.5 -44.04 86.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.161 -0.472 . . . . 10.15 110.573 179.949 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 143' ' ' GLN . . . . . . . . . . . . . 8.5 mm100 -43.43 -56.77 3.41 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.172 -0.467 . . . . 8.24 110.568 179.962 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 144' ' ' MET . . . . . . . . . . . . . 0.4 OUTLIER -54.24 -29.93 48.42 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.193 -0.458 . . . . 6.68 110.505 179.975 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 145' ' ' MET . . . . . 0.411 ' N ' ' O ' ' A' ' 142' ' ' VAL . 0.0 OUTLIER . . . . . 0 C--N 1.329 -0.311 0 CA-C-N 116.154 -0.476 . . . . 13.37 110.543 -179.991 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 36.1 tt0 . . . . . 0 C--O 1.231 0.107 0 CA-C-O 120.81 0.338 . . . . 23.46 110.566 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 4' ' ' LEU . . . . . 0.516 ' O ' HD11 ' A' ' 9' ' ' ILE . 2.9 tp -77.73 126.97 31.69 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.191 -0.458 . . . . 14.38 110.566 179.982 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 57.2 p -69.88 151.11 46.06 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.205 -0.452 . . . . 7.34 110.543 -179.976 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 3.9 mm-40 -54.5 -51.18 65.9 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.19 -0.459 . . . . 7.12 110.527 -179.973 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 51.5 mt-10 -47.65 -41.97 23.47 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.186 -0.461 . . . . 6.85 110.569 179.99 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 2.1 tt0 -76.75 -43.18 38.13 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.23 -0.441 . . . . 15.1 110.594 179.938 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 9' ' ' ILE . . . . . 0.516 HD11 ' O ' ' A' ' 4' ' ' LEU . 88.3 mt -60.48 -28.92 43.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.19 -0.459 . . . . 4.72 110.533 -179.992 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -73.75 -59.49 2.69 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.21 -0.45 . . . . 6.68 110.564 -179.989 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 60.3 mt-10 -49.18 -31.96 9.4 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.197 -0.456 . . . . 18.49 110.589 179.996 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 2.1 m-85 -62.58 -50.05 72.84 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.2 -0.455 . . . . 14.89 110.548 179.983 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 6.5 tttt -47.59 -31.87 4.9 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.169 -0.469 . . . . 18.39 110.526 -179.98 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 15.5 tt0 -61.15 -56.1 24.68 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.221 -0.445 . . . . 22.76 110.528 179.998 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -45.57 -35.46 3.97 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.202 -0.454 . . . . 5.67 110.503 -179.984 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 16' ' ' PHE . . . . . 0.453 ' CE2' ' CB ' ' A' ' 20' ' ' ASP . 10.8 t80 -59.7 -60.12 4.35 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.167 -0.469 . . . . 13.28 110.497 179.999 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -48.93 -21.53 0.68 Allowed 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.178 -0.465 . . . . 12.16 110.534 179.978 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -78.55 -37.32 43.05 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.148 -0.478 . . . . 17.89 110.497 179.985 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 9.2 m-85 -90.01 -50.2 6.15 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.257 -0.429 . . . . 9.14 110.556 179.986 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 20' ' ' ASP . . . . . 0.46 ' OD2' ' O ' ' A' ' 26' ' ' THR . 15.7 t70 -85.38 83.24 8.02 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.22 -0.445 . . . . 7.47 110.507 179.971 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 17.1 pttt -75.14 -19.67 59.77 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.188 -0.46 . . . . 27.75 110.69 -179.983 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 22' ' ' ASP . . . . . 0.513 ' OD2' ' OE1' ' A' ' 31' ' ' GLU . 29.2 m-20 -73.04 -15.34 61.52 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.213 -0.449 . . . . 14.13 110.616 -179.943 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 59.58 27.98 64.49 Favored Glycine 0 CA--C 1.525 0.663 0 N-CA-C 110.981 -0.847 . . . . 11.51 110.981 -179.907 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 4.0 m-20 -80.87 -29.52 35.72 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.775 0.322 . . . . 14.28 110.613 -179.962 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 105.17 7.91 37.02 Favored Glycine 0 CA--C 1.525 0.703 0 N-CA-C 110.874 -0.891 . . . . 9.47 110.874 -179.995 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 26' ' ' THR . . . . . 0.46 ' O ' ' OD2' ' A' ' 20' ' ' ASP . 72.9 p -148.04 142.08 25.96 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.814 0.34 . . . . 16.41 110.554 179.958 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 43.6 mt -102.97 123.43 56.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.206 -0.452 . . . . 8.03 110.612 179.952 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 28' ' ' THR . . . . . 0.488 HG23 ' H ' ' A' ' 31' ' ' GLU . 0.6 OUTLIER -105.86 169.11 8.67 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.213 -0.448 . . . . 7.8 110.586 -179.982 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 29' ' ' THR . . . . . 0.424 HG23 HG13 ' A' ' 52' ' ' ILE . 6.5 m -70.65 -16.15 62.79 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.164 -0.471 . . . . 10.04 110.571 179.975 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 26.3 mmtt -80.62 -34.28 35.15 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.182 -0.463 . . . . 16.38 110.575 -179.993 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 31' ' ' GLU . . . . . 0.513 ' OE1' ' OD2' ' A' ' 22' ' ' ASP . 3.7 tt0 -85.18 -28.25 25.59 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.205 -0.452 . . . . 5.59 110.54 179.992 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 7.6 tp -64.11 -59.81 4.0 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.111 -0.495 . . . . 7.72 110.547 179.98 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -50.19 -46.58 43.06 Favored Glycine 0 CA--C 1.525 0.663 0 N-CA-C 110.867 -0.893 . . . . 6.93 110.867 179.985 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 2.7 m -52.04 -40.87 61.76 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.808 0.337 . . . . 9.63 110.544 179.928 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 48.0 t -63.7 -48.62 85.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.217 -0.447 . . . . 7.07 110.511 179.99 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 36' ' ' MET . . . . . . . . . . . . . 4.1 mtt -64.38 -27.77 69.23 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.186 -0.461 . . . . 10.12 110.501 179.985 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 1.3 mtp180 -62.9 -27.48 69.4 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.214 -0.448 . . . . 9.87 110.52 179.925 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 1.7 t -80.31 -18.71 48.41 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.169 -0.469 . . . . 8.15 110.418 179.981 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 39' ' ' LEU . . . . . 0.421 ' N ' HD12 ' A' ' 39' ' ' LEU . 8.8 mp -93.12 15.13 15.94 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.166 -0.47 . . . . 12.78 110.504 179.924 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 66.71 28.48 73.78 Favored Glycine 0 CA--C 1.525 0.66 0 N-CA-C 110.923 -0.871 . . . . 9.6 110.923 179.981 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 37.1 mt-30 -104.38 150.53 24.42 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.811 0.339 . . . . 20.35 110.54 -179.952 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 18.4 m120 -140.06 80.07 21.09 Favored Pre-proline 0 C--N 1.329 -0.289 0 CA-C-N 116.184 -0.462 . . . . 10.22 110.516 179.942 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 43' ' ' PRO . . . . . 0.487 ' CG ' HD13 ' A' ' 48' ' ' LEU . 60.2 Cg_endo -78.05 159.9 30.29 Favored 'Trans proline' 0 C--N 1.307 -1.655 0 C-N-CA 122.792 2.328 . . . . 8.63 112.23 -179.985 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 44' ' ' THR . . . . . 0.474 HG22 ' H ' ' A' ' 46' ' ' ALA . 63.4 m -94.22 147.34 23.28 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.174 -0.467 . . . . 4.83 110.519 179.962 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 45' ' ' GLU . . . . . 0.401 ' CD ' ' H ' ' A' ' 45' ' ' GLU . 9.5 mp0 -46.17 -20.91 0.12 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.246 -0.434 . . . . 16.78 110.535 -179.99 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 46' ' ' ALA . . . . . 0.474 ' H ' HG22 ' A' ' 44' ' ' THR . . . -83.64 -40.58 18.81 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.167 -0.469 . . . . 4.8 110.589 179.98 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 27.0 mm-40 -69.24 -60.78 2.12 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.228 -0.442 . . . . 6.18 110.608 179.999 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 48' ' ' LEU . . . . . 0.487 HD13 ' CG ' ' A' ' 43' ' ' PRO . 5.8 tp -50.07 -35.62 26.04 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.153 -0.476 . . . . 6.65 110.615 -179.981 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 24.2 tt0 -66.14 -48.04 72.12 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.232 -0.44 . . . . 7.05 110.553 -179.98 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 50' ' ' ASP . . . . . 0.404 ' CG ' ' O ' ' A' ' 46' ' ' ALA . 16.2 m-20 -58.67 -25.95 63.32 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.188 -0.46 . . . . 6.72 110.614 -179.987 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 51' ' ' MET . . . . . . . . . . . . . 4.5 tpt -76.38 -58.91 3.01 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.193 -0.458 . . . . 13.6 110.57 179.999 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 52' ' ' ILE . . . . . 0.424 HG13 HG23 ' A' ' 29' ' ' THR . 3.9 mm -49.02 -43.32 15.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.171 -0.468 . . . . 8.71 110.542 179.983 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 18.6 m120 -49.89 -51.03 43.7 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.231 -0.441 . . . . 9.04 110.52 -179.977 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 3.7 mm-40 -51.21 -27.71 9.62 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.2 -0.455 . . . . 23.58 110.623 -179.922 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 55' ' ' VAL . . . . . 0.877 HG22 ' SD ' ' A' ' 71' ' ' MET . 11.9 t -95.01 -20.52 6.01 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.226 -0.443 . . . . 7.6 110.62 179.951 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 56' ' ' ASP . . . . . 0.567 ' OD1' ' O ' ' A' ' 62' ' ' THR . 0.6 OUTLIER -107.63 87.97 2.63 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.197 -0.456 . . . . 12.55 110.521 -179.972 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -79.07 -28.52 43.14 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.186 -0.461 . . . . 15.13 110.568 179.97 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 5.3 m-20 -85.86 2.3 46.43 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.181 -0.463 . . . . 14.32 110.555 179.992 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 52.46 17.25 4.18 Favored Glycine 0 CA--C 1.525 0.695 0 N-CA-C 110.917 -0.873 . . . . 13.64 110.917 -179.989 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 60' ' ' ASP . . . . . 0.406 ' OD1' ' N ' ' A' ' 60' ' ' ASP . 3.8 p-10 -62.31 -22.39 66.01 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.859 0.362 . . . . 13.27 110.59 -179.992 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 92.78 -1.41 71.35 Favored Glycine 0 CA--C 1.525 0.695 0 N-CA-C 110.963 -0.855 . . . . 11.65 110.963 -179.983 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 62' ' ' THR . . . . . 0.567 ' O ' ' OD1' ' A' ' 56' ' ' ASP . 0.3 OUTLIER -129.26 154.58 46.68 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.837 0.351 . . . . 11.55 110.539 -179.971 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 63' ' ' ILE . . . . . . . . . . . . . 81.7 mt -106.79 141.33 22.27 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.169 -0.469 . . . . 10.06 110.567 179.982 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 64' ' ' ASP . . . . . 0.558 ' OD2' ' N ' ' A' ' 64' ' ' ASP . 0.2 OUTLIER -99.84 172.37 7.28 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.217 -0.447 . . . . 11.33 110.565 179.983 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 65' ' ' PHE . . . . . 0.555 ' CD1' ' C ' ' A' ' 65' ' ' PHE . 0.3 OUTLIER -70.97 -56.71 5.49 Favored Pre-proline 0 C--N 1.328 -0.332 0 CA-C-N 116.264 -0.426 . . . . 7.4 110.84 179.965 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 66' ' ' PRO . . . . . 0.508 ' HD2' ' N ' ' A' ' 65' ' ' PHE . 18.9 Cg_endo -62.28 -40.81 38.13 Favored 'Trans proline' 0 N--CA 1.494 1.52 0 C-N-CA 122.21 1.94 . . . . 6.66 111.933 179.724 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 67' ' ' GLU . . . . . 0.468 ' OE1' ' OD1' ' A' ' 64' ' ' ASP . 38.5 mt-10 -64.17 -14.76 57.34 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.152 -0.476 . . . . 7.44 110.349 179.848 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 68' ' ' PHE . . . . . . . . . . . . . 45.7 t80 -79.58 -25.35 41.57 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.104 -0.498 . . . . 8.58 110.457 179.941 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 69' ' ' LEU . . . . . 0.462 HD12 ' N ' ' A' ' 69' ' ' LEU . 6.6 mp -83.21 -41.29 18.59 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.177 -0.465 . . . . 9.43 110.437 179.704 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 70' ' ' THR . . . . . 0.561 ' CG2' ' N ' ' A' ' 71' ' ' MET . 1.2 t -61.13 -44.38 97.42 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.147 -0.479 . . . . 7.53 110.528 -179.924 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 71' ' ' MET . . . . . 0.877 ' SD ' HG22 ' A' ' 55' ' ' VAL . 0.0 OUTLIER -53.05 -44.92 67.8 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.248 -0.433 . . . . 11.86 110.506 179.919 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 72' ' ' MET . . . . . 0.617 ' SD ' ' C ' ' A' ' 72' ' ' MET . 0.0 OUTLIER -80.67 -47.36 14.15 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.18 -0.464 . . . . 22.32 110.585 179.96 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -57.69 -53.85 53.48 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.187 -0.461 . . . . 9.15 110.595 179.951 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 41.0 ttt180 -45.37 -51.58 11.05 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.2 -0.454 . . . . 13.8 110.536 -179.952 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 75' ' ' LYS . . . . . 0.494 ' O ' ' OD1' ' A' ' 78' ' ' ASP . 19.8 mmtt -43.91 -36.84 2.58 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.202 -0.454 . . . . 25.18 110.549 179.975 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 76' ' ' MET . . . . . 0.483 ' C ' ' H ' ' A' ' 78' ' ' ASP . 11.7 mtt -83.89 -35.48 24.08 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.211 -0.449 . . . . 34.79 110.585 -179.986 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 13.4 tptt -70.94 39.73 0.06 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.177 -0.465 . . . . 37.65 110.54 -179.975 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 78' ' ' ASP . . . . . 0.494 ' OD1' ' O ' ' A' ' 75' ' ' LYS . 19.0 p30 -176.15 -160.32 0.07 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.238 -0.437 . . . . 42.58 110.608 179.983 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 6.5 p -78.04 155.68 30.52 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.2 -0.454 . . . . 38.4 110.525 -179.992 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 3.3 p-10 -112.71 150.17 31.9 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.194 -0.457 . . . . 37.51 110.573 -179.996 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 50.9 m -109.25 138.03 46.23 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.254 -0.43 . . . . 33.12 110.548 -179.978 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 51.4 mt-10 -84.82 -10.42 57.19 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.201 -0.454 . . . . 34.28 110.568 -179.976 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 83' ' ' GLU . . . . . 0.419 ' HG3' ' H ' ' A' ' 84' ' ' GLU . 0.3 OUTLIER -63.95 -39.92 95.25 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.177 -0.465 . . . . 30.91 110.654 -179.96 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 84' ' ' GLU . . . . . 0.419 ' H ' ' HG3' ' A' ' 83' ' ' GLU . 0.0 OUTLIER -83.0 -52.45 6.66 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.23 -0.441 . . . . 22.86 110.588 179.962 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 85' ' ' ILE . . . . . . . . . . . . . 13.4 mt -48.07 -20.35 0.42 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.14 -0.482 . . . . 19.17 110.534 -179.96 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 32.2 ttp180 -81.2 -55.25 4.87 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.205 -0.452 . . . . 26.85 110.542 -179.99 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 20.0 mt-10 -61.72 -47.43 85.27 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.223 -0.444 . . . . 16.48 110.571 -179.973 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -59.56 -33.37 71.33 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.191 -0.458 . . . . 9.91 110.597 -179.97 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 89' ' ' PHE . . . . . 0.417 ' O ' ' CD2' ' A' ' 89' ' ' PHE . 35.4 t80 -68.76 -26.3 65.16 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.208 -0.451 . . . . 8.53 110.623 -179.97 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 90' ' ' ARG . . . . . 0.443 ' HD3' ' N ' ' A' ' 90' ' ' ARG . 0.0 OUTLIER -76.9 -45.36 28.33 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.219 -0.446 . . . . 17.58 110.567 -179.988 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 91' ' ' VAL . . . . . . . . . . . . . 84.5 t -50.08 -18.29 0.54 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.244 -0.435 . . . . 7.82 110.562 -179.839 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 92' ' ' PHE . . . . . . . . . . . . . 51.6 m-85 -95.34 -42.65 8.41 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.231 -0.44 . . . . 9.11 110.538 179.846 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 93' ' ' ASP . . . . . 0.532 ' CG ' ' O ' ' A' ' 99' ' ' TYR . 21.0 t0 -95.46 69.08 3.02 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.094 -0.503 . . . . 11.11 110.524 179.998 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 7.3 pttt -48.19 -21.43 0.49 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.217 -0.447 . . . . 14.57 111.12 -179.644 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 95' ' ' ASP . . . . . 0.455 ' CG ' ' OD1' ' A' ' 97' ' ' ASN . 22.2 t0 -75.55 -13.33 60.35 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-O 120.817 0.341 . . . . 10.2 110.752 -179.761 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 60.26 22.19 58.02 Favored Glycine 0 CA--C 1.525 0.719 0 N-CA-C 110.998 -0.841 . . . . 6.24 110.998 -179.988 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 97' ' ' ASN . . . . . 0.455 ' OD1' ' CG ' ' A' ' 95' ' ' ASP . 11.6 m120 -82.69 2.65 32.58 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.879 0.371 . . . . 7.56 110.509 179.944 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . 70.83 4.17 53.25 Favored Glycine 0 CA--C 1.524 0.648 0 N-CA-C 110.984 -0.846 . . . . 7.08 110.984 179.947 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 99' ' ' TYR . . . . . 0.633 ' CD1' ' C ' ' A' ' 99' ' ' TYR . 1.5 p90 -139.14 145.89 39.97 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.801 0.334 . . . . 9.0 110.597 -179.958 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 12.9 mt -122.05 124.52 71.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.155 -0.475 . . . . 9.29 110.519 179.905 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 101' ' ' SER . . . . . 0.518 ' O ' ' N ' ' A' ' 103' ' ' ALA . 8.8 t -91.21 151.68 20.84 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.241 -0.436 . . . . 7.02 110.626 -179.927 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -42.6 -19.34 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.135 -0.484 . . . . 6.41 110.604 -179.879 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 103' ' ' ALA . . . . . 0.518 ' N ' ' O ' ' A' ' 101' ' ' SER . . . -77.77 -57.52 3.76 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.237 -0.438 . . . . 5.01 110.564 179.969 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 26.2 mt-10 -56.16 -46.09 79.42 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.178 -0.465 . . . . 6.84 110.643 -179.961 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 105' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -58.21 -47.88 82.09 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.247 -0.433 . . . . 4.99 110.569 179.983 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 106' ' ' ARG . . . . . 0.579 HH21 ' CG ' ' A' ' 118' ' ' ASP . 20.5 ttp180 -69.34 -22.67 63.74 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.184 -0.462 . . . . 15.24 110.498 -179.956 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 107' ' ' HIS . . . . . . . . . . . . . 0.6 OUTLIER -78.43 -43.99 25.9 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.232 -0.44 . . . . 15.69 110.547 179.959 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 108' ' ' VAL . . . . . 0.464 ' O ' HD23 ' A' ' 112' ' ' LEU . 64.2 t -80.42 -44.7 22.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.219 -0.446 . . . . 12.28 110.546 -179.966 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 109' ' ' MET . . . . . . . . . . . . . 2.7 tpt -66.13 -13.76 60.67 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.22 -0.445 . . . . 9.53 110.612 -179.927 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 110' ' ' THR . . . . . 0.519 ' OG1' ' O ' ' A' ' 106' ' ' ARG . 1.5 m -81.54 -39.36 24.76 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.262 -0.426 . . . . 11.87 110.564 179.98 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 111' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -72.36 -13.04 61.38 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.26 -0.427 . . . . 21.65 110.522 179.998 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 112' ' ' LEU . . . . . 0.464 HD23 ' O ' ' A' ' 108' ' ' VAL . 1.6 mm? -50.18 -27.3 5.66 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.221 -0.445 . . . . 19.55 110.588 -179.987 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . 115.29 -0.61 22.33 Favored Glycine 0 CA--C 1.524 0.646 0 N-CA-C 110.856 -0.898 . . . . 19.66 110.856 -179.867 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 114' ' ' GLU . . . . . 0.63 ' O ' HD23 ' A' ' 116' ' ' LEU . 24.5 mm-40 -124.41 128.83 49.64 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.725 0.298 . . . . 25.55 110.392 179.707 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 48.6 tttp -82.57 116.21 21.88 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.408 -0.36 . . . . 23.26 110.662 -179.923 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 116' ' ' LEU . . . . . 0.677 HD23 ' N ' ' A' ' 116' ' ' LEU . 0.1 OUTLIER -102.9 159.07 15.83 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.189 -0.459 . . . . 23.07 110.531 179.993 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 117' ' ' THR . . . . . 0.466 ' O ' HG23 ' A' ' 121' ' ' VAL . 0.4 OUTLIER -85.41 149.41 25.44 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.182 -0.463 . . . . 19.41 110.561 179.985 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 118' ' ' ASP . . . . . 0.579 ' CG ' HH21 ' A' ' 106' ' ' ARG . 72.9 m-20 -75.98 -26.1 56.45 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.239 -0.437 . . . . 18.08 110.537 -179.982 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 119' ' ' GLU . . . . . . . . . . . . . 6.3 mm-40 -70.89 -26.32 63.18 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.191 -0.459 . . . . 20.16 110.513 -179.97 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 120' ' ' GLU . . . . . . . . . . . . . 33.6 tt0 -85.17 -45.98 11.51 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.213 -0.448 . . . . 14.19 110.53 -179.972 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 121' ' ' VAL . . . . . 0.466 HG23 ' O ' ' A' ' 117' ' ' THR . 93.4 t -54.48 -42.88 61.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.244 -0.435 . . . . 14.97 110.579 -179.998 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 122' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -76.37 -44.55 35.82 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.185 -0.461 . . . . 20.12 110.532 -179.998 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 123' ' ' GLU . . . . . 0.507 ' OE2' ' O ' ' A' ' 123' ' ' GLU . 7.1 tp10 -57.33 -47.33 81.83 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.26 -0.427 . . . . 15.72 110.535 -179.983 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 124' ' ' MET . . . . . . . . . . . . . 4.6 ttt -61.92 -54.5 41.06 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.174 -0.466 . . . . 9.75 110.589 179.982 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 125' ' ' ILE . . . . . 0.439 ' C ' ' N ' ' A' ' 127' ' ' GLU . 24.4 mt -62.53 -58.04 9.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.159 -0.473 . . . . 11.99 110.587 179.982 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 126' ' ' ARG . . . . . . . . . . . . . 52.2 ttt-85 -43.54 -22.52 0.05 OUTLIER 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.235 -0.439 . . . . 27.23 110.578 179.987 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 127' ' ' GLU . . . . . 0.439 ' N ' ' C ' ' A' ' 125' ' ' ILE . 16.7 tt0 -89.81 -54.2 4.16 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.215 -0.448 . . . . 15.5 110.571 -179.98 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 128' ' ' ALA . . . . . . . . . . . . . . . -65.42 -25.9 67.73 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.165 -0.47 . . . . 10.5 110.571 -179.983 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 129' ' ' ASP . . . . . 0.636 ' OD1' ' N ' ' A' ' 133' ' ' ASP . 45.4 t0 -72.89 92.71 1.64 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.204 -0.453 . . . . 10.86 110.528 179.97 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 130' ' ' ILE . . . . . 0.449 HD11 ' HG2' ' A' ' 143' ' ' GLN . 18.8 mt -48.54 -35.13 5.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.11 -0.495 . . . . 12.26 110.713 -179.788 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 131' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -88.2 -17.93 29.79 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.316 -0.402 . . . . 7.79 110.652 -179.957 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 132' ' ' GLY . . . . . 0.626 ' N ' ' OD2' ' A' ' 129' ' ' ASP . . . 60.7 39.43 96.64 Favored Glycine 0 CA--C 1.525 0.674 0 N-CA-C 110.826 -0.91 . . . . 3.93 110.826 -179.935 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 133' ' ' ASP . . . . . 0.636 ' N ' ' OD1' ' A' ' 129' ' ' ASP . 0.5 OUTLIER -87.99 -1.82 58.23 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.759 0.314 . . . . 9.56 110.649 -179.888 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 134' ' ' GLY . . . . . . . . . . . . . . . 82.78 5.43 89.41 Favored Glycine 0 CA--C 1.525 0.667 0 N-CA-C 110.902 -0.879 . . . . 7.32 110.902 -179.959 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 135' ' ' GLN . . . . . . . . . . . . . 9.4 mt-30 -136.32 160.62 38.17 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.745 0.307 . . . . 22.05 110.415 179.937 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 136' ' ' VAL . . . . . 0.586 ' C ' HD22 ' A' ' 137' ' ' ASN . 66.2 t -112.75 135.46 52.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.336 -0.393 . . . . 10.34 110.694 -179.91 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 137' ' ' ASN . . . . . 0.657 HD22 ' N ' ' A' ' 137' ' ' ASN . 0.7 OUTLIER -109.92 159.47 17.22 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.147 -0.479 . . . . 12.02 110.292 179.541 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 138' ' ' TYR . . . . . . . . . . . . . 75.1 t80 -49.6 -28.78 6.13 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.811 0.339 . . . . 8.75 110.496 179.972 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 139' ' ' GLU . . . . . . . . . . . . . 5.0 mt-10 -70.01 -39.99 75.51 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.168 -0.469 . . . . 22.33 110.541 -179.989 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 140' ' ' GLU . . . . . 0.505 ' OE1' ' N ' ' A' ' 137' ' ' ASN . 1.7 mt-10 -61.1 -43.14 99.34 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.247 -0.433 . . . . 13.45 110.498 179.929 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 141' ' ' PHE . . . . . . . . . . . . . 1.2 m-85 -50.74 -60.32 3.17 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.2 -0.455 . . . . 8.25 110.438 179.968 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 142' ' ' VAL . . . . . . . . . . . . . 66.0 t -50.76 -36.41 14.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.152 -0.476 . . . . 10.15 110.549 179.985 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 143' ' ' GLN . . . . . 0.449 ' HG2' HD11 ' A' ' 130' ' ' ILE . 14.4 tp60 -47.17 -54.75 9.89 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.176 -0.465 . . . . 8.24 110.435 179.964 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 144' ' ' MET . . . . . . . . . . . . . 2.1 ttt -49.13 -37.89 23.38 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.228 -0.442 . . . . 6.68 110.439 179.993 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 145' ' ' MET . . . . . . . . . . . . . 29.9 mtt . . . . . 0 C--N 1.329 -0.307 0 CA-C-N 116.198 -0.455 . . . . 13.37 110.534 179.887 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 3' ' ' GLN . . . . . 0.604 ' OE1' ' N ' ' A' ' 3' ' ' GLN . 0.0 OUTLIER . . . . . 0 C--O 1.231 0.121 0 CA-C-O 120.754 0.311 . . . . 23.46 110.545 . . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 4' ' ' LEU . . . . . 0.465 HD23 HG13 ' A' ' 9' ' ' ILE . 0.6 OUTLIER -80.58 127.17 32.15 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.216 -0.447 . . . . 14.38 110.537 -179.994 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 71.6 p -68.59 149.77 48.78 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.209 -0.45 . . . . 7.34 110.518 179.999 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 24.6 mm-40 -53.9 -45.45 71.11 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.211 -0.45 . . . . 7.12 110.605 -179.996 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 7' ' ' GLU . . . . . 0.572 ' O ' ' OE1' ' A' ' 7' ' ' GLU . 0.9 OUTLIER -48.22 -38.79 19.31 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.171 -0.468 . . . . 6.85 110.641 -179.995 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 69.4 mt-30 -78.34 -40.96 34.99 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.218 -0.446 . . . . 15.1 110.601 179.992 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 9' ' ' ILE . . . . . 0.465 HG13 HD23 ' A' ' 4' ' ' LEU . 60.2 mt -62.18 -31.51 51.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.181 -0.463 . . . . 4.72 110.583 -179.921 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -68.32 -59.35 3.26 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.212 -0.449 . . . . 6.68 110.557 -179.938 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 45.4 mm-40 -46.14 -38.98 8.87 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.265 -0.425 . . . . 18.49 110.584 -179.925 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 12' ' ' PHE . . . . . 0.426 ' CD2' HD23 ' A' ' 69' ' ' LEU . 1.9 m-85 -57.57 -45.21 85.47 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.224 -0.444 . . . . 14.89 110.608 179.997 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -47.01 -41.62 16.8 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.212 -0.449 . . . . 18.39 110.527 -179.927 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 14' ' ' GLU . . . . . 0.634 ' OE2' HD23 ' A' ' 18' ' ' LEU . 3.7 tm-20 -60.75 -35.76 77.19 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.242 -0.435 . . . . 22.76 110.615 180.0 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -60.66 -51.95 67.21 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.164 -0.471 . . . . 5.67 110.608 179.954 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 16' ' ' PHE . . . . . 0.527 ' CE2' HD11 ' A' ' 27' ' ' ILE . 0.1 OUTLIER -48.87 -60.27 2.89 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.206 -0.452 . . . . 13.28 110.469 -179.971 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 10.9 t -48.24 -23.53 0.91 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.246 -0.433 . . . . 12.16 110.461 179.943 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 18' ' ' LEU . . . . . 0.634 HD23 ' OE2' ' A' ' 14' ' ' GLU . 0.4 OUTLIER -81.35 -33.35 32.49 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.151 -0.477 . . . . 17.89 110.488 180.0 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 25.6 m-85 -90.05 -50.44 6.01 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.257 -0.429 . . . . 9.14 110.599 179.981 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 33.8 t70 -95.88 91.52 6.07 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.232 -0.44 . . . . 7.47 110.602 -179.947 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 24.3 mttp -83.5 -19.54 35.58 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.144 -0.48 . . . . 27.75 110.633 -179.933 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 92.5 m-20 -72.62 -15.39 61.73 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.304 -0.407 . . . . 14.13 110.702 -179.812 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 62.26 31.93 80.9 Favored Glycine 0 CA--C 1.524 0.647 0 N-CA-C 110.903 -0.879 . . . . 11.51 110.903 -179.935 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 52.7 t0 -81.81 -29.39 32.68 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.763 0.316 . . . . 14.28 110.653 -179.976 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 105.09 1.08 41.67 Favored Glycine 0 CA--C 1.525 0.683 0 N-CA-C 110.924 -0.87 . . . . 9.47 110.924 -179.998 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 1.5 p -148.54 136.84 21.18 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.792 0.329 . . . . 16.41 110.559 179.967 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 27' ' ' ILE . . . . . 0.527 HD11 ' CE2' ' A' ' 16' ' ' PHE . 5.6 mt -100.03 130.38 49.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.202 -0.454 . . . . 8.03 110.508 179.989 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 33.5 p -111.36 173.97 6.09 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.188 -0.46 . . . . 7.8 110.6 179.955 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 21.0 p -60.04 -42.08 93.66 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.219 -0.446 . . . . 10.04 110.516 179.979 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 2.9 mtpp -63.79 -34.46 77.95 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.154 -0.475 . . . . 16.38 110.628 -179.939 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 32.0 mt-10 -75.34 -43.66 49.43 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.24 -0.436 . . . . 5.59 110.517 179.977 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 1.4 mt -63.61 -59.4 4.67 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.187 -0.461 . . . . 7.72 110.573 -179.978 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 33' ' ' GLY . . . . . 0.446 ' O ' ' N ' ' A' ' 37' ' ' ARG . . . -44.03 -52.45 6.88 Favored Glycine 0 CA--C 1.525 0.688 0 N-CA-C 110.927 -0.869 . . . . 6.93 110.927 179.988 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 29.3 m -49.23 -42.32 40.2 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.772 0.32 . . . . 9.63 110.488 179.939 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 73.6 t -64.52 -51.52 66.76 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.224 -0.443 . . . . 7.07 110.536 179.954 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 36' ' ' MET . . . . . . . . . . . . . 19.2 mmt -68.97 -24.75 64.29 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.22 -0.446 . . . . 10.12 110.475 179.979 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 37' ' ' ARG . . . . . 0.446 ' N ' ' O ' ' A' ' 33' ' ' GLY . 54.9 ttm-85 -65.32 -31.01 71.92 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.215 -0.448 . . . . 9.87 110.533 179.988 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -82.24 -16.05 50.91 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.186 -0.461 . . . . 8.15 110.528 -180.0 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 7.5 mp -87.78 15.0 7.54 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.19 -0.459 . . . . 12.78 110.576 179.968 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 74.51 20.79 79.46 Favored Glycine 0 CA--C 1.525 0.689 0 N-CA-C 110.924 -0.87 . . . . 9.6 110.924 179.986 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 41' ' ' GLN . . . . . 0.464 HE22 ' CG2' ' A' ' 91' ' ' VAL . 0.9 OUTLIER -102.52 146.11 28.61 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.809 0.337 . . . . 20.35 110.58 -179.975 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 42' ' ' ASN . . . . . 0.459 ' ND2' ' O ' ' A' ' 41' ' ' GLN . 14.3 m120 -136.72 80.02 38.58 Favored Pre-proline 0 C--N 1.329 -0.286 0 CA-C-N 116.195 -0.457 . . . . 10.22 110.556 179.971 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 43' ' ' PRO . . . . . 0.406 ' CG ' HD13 ' A' ' 48' ' ' LEU . 60.3 Cg_endo -78.1 155.24 29.57 Favored 'Trans proline' 0 C--N 1.306 -1.679 0 C-N-CA 122.809 2.339 . . . . 8.63 112.224 -179.897 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -81.01 168.43 18.69 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.18 -0.464 . . . . 4.83 110.509 179.982 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 62.6 tt0 -62.38 -42.19 99.22 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.176 -0.465 . . . . 16.78 110.567 179.967 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -77.95 -21.88 50.36 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.212 -0.449 . . . . 4.8 110.534 179.98 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 43.4 mt-10 -72.28 -53.03 13.66 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.194 -0.457 . . . . 6.18 110.544 179.993 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 48' ' ' LEU . . . . . 0.441 ' O ' ' N ' ' A' ' 51' ' ' MET . 4.7 tp -68.77 -53.25 22.91 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.21 -0.45 . . . . 6.65 110.578 179.968 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 6.6 tp-100 -47.0 -46.1 21.55 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.144 -0.48 . . . . 7.05 110.546 179.976 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 2.6 t70 -69.82 -18.36 63.45 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.216 -0.447 . . . . 6.72 110.532 179.947 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 51' ' ' MET . . . . . 0.441 ' N ' ' O ' ' A' ' 48' ' ' LEU . 4.7 ttt -68.45 -50.13 54.82 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.164 -0.471 . . . . 13.6 110.554 -179.986 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 1.5 mp -53.94 -46.11 64.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.231 -0.44 . . . . 8.71 110.449 179.975 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 53' ' ' ASN . . . . . 0.406 HD22 ' HA ' ' A' ' 53' ' ' ASN . 1.9 t-20 -43.41 -48.78 7.15 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.26 -0.427 . . . . 9.04 110.482 -179.994 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 70.8 mt-10 -51.21 -49.13 61.64 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.185 -0.461 . . . . 23.58 110.57 179.985 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 55' ' ' VAL . . . . . 0.595 HG22 ' HG3' ' A' ' 71' ' ' MET . 2.4 t -83.75 -4.37 8.42 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.232 -0.44 . . . . 7.6 110.553 -179.98 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 56' ' ' ASP . . . . . 0.558 ' OD1' ' O ' ' A' ' 62' ' ' THR . 1.1 t70 -107.52 96.99 6.79 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.186 -0.461 . . . . 12.55 110.59 179.966 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -83.25 -44.56 14.84 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.217 -0.447 . . . . 15.13 110.533 -179.98 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -78.74 -5.71 53.94 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.209 -0.45 . . . . 14.32 110.547 179.999 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 59' ' ' GLY . . . . . 0.429 ' CA ' ' OD2' ' A' ' 56' ' ' ASP . . . 56.45 49.84 66.53 Favored Glycine 0 CA--C 1.524 0.644 0 N-CA-C 110.963 -0.855 . . . . 13.64 110.963 -179.999 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 60' ' ' ASP . . . . . 0.413 ' N ' ' OD2' ' A' ' 56' ' ' ASP . 20.6 p-10 -87.32 -17.94 31.27 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.815 0.341 . . . . 13.27 110.541 -179.959 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 105.73 -10.09 44.89 Favored Glycine 0 CA--C 1.525 0.661 0 N-CA-C 110.939 -0.864 . . . . 11.65 110.939 -179.983 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 62' ' ' THR . . . . . 0.558 ' O ' ' OD1' ' A' ' 56' ' ' ASP . 1.7 p -138.19 178.61 7.0 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.735 0.302 . . . . 11.55 110.541 -179.966 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 63' ' ' ILE . . . . . 0.457 HD12 ' N ' ' A' ' 63' ' ' ILE . 1.7 mp -111.03 141.36 26.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.217 -0.447 . . . . 10.06 110.666 -179.922 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 64' ' ' ASP . . . . . 0.543 ' O ' ' CB ' ' A' ' 68' ' ' PHE . 21.3 m-20 -116.48 -179.17 3.6 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.107 -0.497 . . . . 11.33 110.451 179.983 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 65' ' ' PHE . . . . . 0.503 ' N ' ' CD ' ' A' ' 66' ' ' PRO . 0.1 OUTLIER -70.27 -50.23 15.82 Favored Pre-proline 0 C--N 1.33 -0.271 0 CA-C-N 116.418 -0.356 . . . . 7.4 110.692 -179.779 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 66' ' ' PRO . . . . . 0.504 ' O ' ' OG1' ' A' ' 70' ' ' THR . 31.4 Cg_exo -55.08 -36.47 92.93 Favored 'Trans proline' 0 C--N 1.306 -1.695 0 C-N-CA 122.628 2.219 . . . . 6.66 111.994 -179.902 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 18.1 mt-10 -91.08 -38.81 12.54 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.227 -0.442 . . . . 7.44 110.545 179.991 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 68' ' ' PHE . . . . . 0.543 ' CB ' ' O ' ' A' ' 64' ' ' ASP . 13.5 t80 -56.19 -38.11 70.51 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.239 -0.437 . . . . 8.58 110.595 -179.995 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 69' ' ' LEU . . . . . 0.426 HD23 ' CD2' ' A' ' 12' ' ' PHE . 0.7 OUTLIER -83.67 -43.38 15.64 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.23 -0.441 . . . . 9.43 110.323 179.517 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 70' ' ' THR . . . . . 0.504 ' OG1' ' O ' ' A' ' 66' ' ' PRO . 88.7 m -62.46 -45.9 90.94 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.095 -0.502 . . . . 7.53 110.508 179.956 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 71' ' ' MET . . . . . 0.651 ' SD ' ' N ' ' A' ' 72' ' ' MET . 1.4 tmt? -48.01 -46.1 32.57 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.158 -0.474 . . . . 11.86 110.446 179.965 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 72' ' ' MET . . . . . 0.651 ' N ' ' SD ' ' A' ' 71' ' ' MET . 6.8 ttt -72.67 -49.95 28.2 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.21 -0.45 . . . . 22.32 110.539 179.959 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -52.86 -56.31 16.73 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.182 -0.463 . . . . 9.15 110.537 179.975 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 12.4 mtp85 -46.16 -35.7 5.3 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.231 -0.44 . . . . 13.8 110.496 179.944 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 40.4 tttm -48.51 -47.42 38.89 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.136 -0.484 . . . . 25.18 110.483 179.932 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 76' ' ' MET . . . . . . . . . . . . . 4.1 mtt -67.72 -12.98 61.69 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.201 -0.454 . . . . 34.79 110.554 -179.988 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 33.7 mttm -112.21 39.81 2.35 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.191 -0.459 . . . . 37.65 110.559 -179.983 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 6.2 m-20 -163.72 167.85 20.49 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.247 -0.433 . . . . 42.58 110.581 -179.994 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 75.7 p -72.54 159.88 33.19 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.195 -0.457 . . . . 38.4 110.556 -179.993 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 14.2 m-20 -130.65 157.87 41.57 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.2 -0.455 . . . . 37.51 110.575 -179.978 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 81' ' ' SER . . . . . 0.451 ' C ' ' H ' ' A' ' 83' ' ' GLU . 10.9 t -114.96 123.04 48.08 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.179 -0.464 . . . . 33.12 110.628 179.951 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 29.6 tt0 -52.43 -10.38 0.14 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.216 -0.447 . . . . 34.28 110.637 -179.966 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 83' ' ' GLU . . . . . 0.451 ' H ' ' C ' ' A' ' 81' ' ' SER . 33.3 tt0 -60.3 -60.44 3.81 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.231 -0.441 . . . . 30.91 110.568 -179.942 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 5.2 tp10 -57.62 -20.92 36.26 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.22 -0.446 . . . . 22.86 110.594 -179.968 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 85' ' ' ILE . . . . . 0.418 ' CD1' ' HE1' ' A' ' 145' ' ' MET . 13.6 mt -83.03 -22.32 8.75 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.237 -0.438 . . . . 19.17 110.605 179.973 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 54.3 ttt85 -81.57 -54.46 5.4 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.268 -0.424 . . . . 26.85 110.616 -179.956 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 1.2 tp10 -59.87 -61.79 2.35 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.224 -0.444 . . . . 16.48 110.581 -179.983 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -46.79 -36.13 6.98 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.207 -0.452 . . . . 9.91 110.576 -179.95 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 89' ' ' PHE . . . . . 0.426 ' C ' ' CD2' ' A' ' 89' ' ' PHE . 27.1 t80 -69.54 -34.16 73.82 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.241 -0.436 . . . . 8.53 110.642 179.997 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 14.1 mtp-105 -73.96 -46.41 44.19 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.233 -0.44 . . . . 17.58 110.61 -179.935 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 91' ' ' VAL . . . . . 0.464 ' CG2' HE22 ' A' ' 41' ' ' GLN . 33.8 t -49.99 -17.3 0.43 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.235 -0.439 . . . . 7.82 110.552 -179.847 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 92' ' ' PHE . . . . . . . . . . . . . 6.2 m-85 -95.41 -42.87 8.27 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.234 -0.439 . . . . 9.11 110.491 179.901 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 93' ' ' ASP . . . . . 0.533 ' CG ' ' O ' ' A' ' 99' ' ' TYR . 43.6 t0 -98.12 69.33 2.02 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.142 -0.481 . . . . 11.11 110.584 180.0 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 2.2 mtmp? -47.28 -18.47 0.11 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.213 -0.449 . . . . 14.57 111.056 -179.721 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 95' ' ' ASP . . . . . 0.484 ' OD1' ' OE1' ' A' ' 104' ' ' GLU . 0.9 OUTLIER -75.09 -11.52 60.11 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.868 0.366 . . . . 10.2 110.72 -179.72 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 60.22 9.64 12.43 Favored Glycine 0 CA--C 1.525 0.671 0 N-CA-C 110.974 -0.85 . . . . 6.24 110.974 179.991 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 97' ' ' ASN . . . . . 0.679 ' O ' ' CE1' ' A' ' 99' ' ' TYR . 30.8 m120 -68.79 2.57 2.46 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.841 0.353 . . . . 7.56 110.439 179.89 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 98' ' ' GLY . . . . . 0.47 ' C ' ' CD2' ' A' ' 99' ' ' TYR . . . 64.95 9.55 40.99 Favored Glycine 0 CA--C 1.525 0.701 0 N-CA-C 110.964 -0.855 . . . . 7.08 110.964 179.962 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 99' ' ' TYR . . . . . 0.679 ' CE1' ' O ' ' A' ' 97' ' ' ASN . 1.3 m-85 -129.11 145.16 51.35 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.815 0.34 . . . . 9.0 110.677 179.998 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 81.0 mt -122.04 108.44 21.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.192 -0.458 . . . . 9.29 110.476 179.946 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 101' ' ' SER . . . . . 0.415 ' HA ' ' CB ' ' A' ' 135' ' ' GLN . 0.4 OUTLIER -90.46 151.63 21.31 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.271 -0.422 . . . . 7.02 110.703 -179.955 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -46.66 -38.74 10.18 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.08 -0.509 . . . . 6.41 110.621 -179.966 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -53.44 -59.98 3.88 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.25 -0.432 . . . . 5.01 110.635 -179.99 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 104' ' ' GLU . . . . . 0.484 ' OE1' ' OD1' ' A' ' 95' ' ' ASP . 14.3 mt-10 -60.84 -51.78 67.88 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.213 -0.449 . . . . 6.84 110.611 -179.971 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 105' ' ' LEU . . . . . 0.537 HD23 HG13 ' A' ' 121' ' ' VAL . 3.3 tp -47.71 -45.69 28.89 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.192 -0.458 . . . . 4.99 110.57 -179.941 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 106' ' ' ARG . . . . . 0.465 ' O ' ' OG1' ' A' ' 110' ' ' THR . 0.6 OUTLIER -70.59 -16.2 62.83 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.204 -0.453 . . . . 15.24 110.543 -179.964 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 107' ' ' HIS . . . . . 0.425 ' N ' ' O ' ' A' ' 104' ' ' GLU . 32.2 t-80 -80.52 -48.44 12.77 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.236 -0.438 . . . . 15.69 110.597 -179.949 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 108' ' ' VAL . . . . . . . . . . . . . 32.9 t -75.78 -26.11 17.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.198 -0.455 . . . . 12.28 110.623 -179.962 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 109' ' ' MET . . . . . . . . . . . . . 4.5 mmt -78.48 -17.81 55.75 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.186 -0.461 . . . . 9.53 110.591 -179.957 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 110' ' ' THR . . . . . 0.465 ' OG1' ' O ' ' A' ' 106' ' ' ARG . 97.5 m -82.34 -40.57 21.22 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.207 -0.452 . . . . 11.87 110.605 -179.933 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 111' ' ' ASN . . . . . . . . . . . . . 48.5 t-20 -76.7 -18.14 58.7 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.269 -0.423 . . . . 21.65 110.497 -179.996 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 112' ' ' LEU . . . . . 0.417 ' HA ' HD22 ' A' ' 112' ' ' LEU . 0.1 OUTLIER -50.1 -26.24 4.27 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.196 -0.456 . . . . 19.55 110.572 179.989 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . 115.09 -2.22 22.61 Favored Glycine 0 CA--C 1.525 0.699 0 N-CA-C 110.864 -0.895 . . . . 19.66 110.864 -179.985 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 114' ' ' GLU . . . . . 0.471 ' OE1' ' N ' ' A' ' 114' ' ' GLU . 4.3 mp0 -124.3 123.48 40.31 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.664 0.269 . . . . 25.55 110.476 179.861 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 1.5 tptp -78.79 115.7 18.65 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.362 -0.381 . . . . 23.26 110.51 -179.91 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 116' ' ' LEU . . . . . 0.6 ' CD2' ' OE1' ' A' ' 120' ' ' GLU . 1.2 mt -109.17 158.83 17.43 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.169 -0.469 . . . . 23.07 110.535 -179.999 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 117' ' ' THR . . . . . . . . . . . . . 30.3 p -89.55 150.29 22.5 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.254 -0.43 . . . . 19.41 110.531 179.994 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 118' ' ' ASP . . . . . . . . . . . . . 49.8 t0 -70.67 -25.78 63.14 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.212 -0.449 . . . . 18.08 110.584 179.967 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 119' ' ' GLU . . . . . 0.51 ' N ' ' CD ' ' A' ' 119' ' ' GLU . 0.2 OUTLIER -68.56 -45.04 73.18 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.185 -0.461 . . . . 20.16 110.575 179.969 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 120' ' ' GLU . . . . . 0.6 ' OE1' ' CD2' ' A' ' 116' ' ' LEU . 65.3 tt0 -67.8 -33.57 75.06 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.213 -0.448 . . . . 14.19 110.524 -179.947 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 121' ' ' VAL . . . . . 0.537 HG13 HD23 ' A' ' 105' ' ' LEU . 68.9 t -75.85 -44.52 38.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.201 -0.454 . . . . 14.97 110.543 -179.999 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 122' ' ' ASP . . . . . . . . . . . . . 35.4 t0 -73.35 -42.59 62.06 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.213 -0.449 . . . . 20.12 110.539 179.999 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 123' ' ' GLU . . . . . 0.403 ' CB ' ' O ' ' A' ' 119' ' ' GLU . 39.0 tt0 -61.41 -35.92 78.89 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.24 -0.436 . . . . 15.72 110.577 179.989 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 124' ' ' MET . . . . . . . . . . . . . 34.8 ttp -66.91 -61.43 1.95 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.175 -0.466 . . . . 9.75 110.52 179.99 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 125' ' ' ILE . . . . . 0.515 ' O ' ' CB ' ' A' ' 129' ' ' ASP . 60.8 mt -56.83 -44.34 81.78 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.23 -0.441 . . . . 11.99 110.573 179.954 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 126' ' ' ARG . . . . . . . . . . . . . 8.9 tpt180 -55.08 -23.13 18.86 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.153 -0.476 . . . . 27.23 110.538 179.973 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 127' ' ' GLU . . . . . . . . . . . . . 20.3 tt0 -88.91 -54.66 4.03 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.193 -0.458 . . . . 15.5 110.536 -179.988 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 128' ' ' ALA . . . . . . . . . . . . . . . -70.86 -21.43 62.42 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.201 -0.454 . . . . 10.5 110.508 179.989 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 129' ' ' ASP . . . . . 0.619 ' OD1' ' N ' ' A' ' 132' ' ' GLY . 50.7 t0 -75.39 92.79 2.84 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.164 -0.471 . . . . 10.86 110.513 179.973 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 130' ' ' ILE . . . . . . . . . . . . . 2.2 mt -48.85 -40.5 12.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.181 -0.463 . . . . 12.26 110.637 -179.914 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 131' ' ' ASP . . . . . 0.425 ' CB ' ' OD2' ' A' ' 133' ' ' ASP . 60.3 m-20 -83.34 -17.96 40.58 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.291 -0.413 . . . . 7.79 110.648 -179.881 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 132' ' ' GLY . . . . . 0.619 ' N ' ' OD1' ' A' ' 129' ' ' ASP . . . 52.81 54.43 28.33 Favored Glycine 0 CA--C 1.524 0.635 0 N-CA-C 110.946 -0.861 . . . . 3.93 110.946 -179.928 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 133' ' ' ASP . . . . . 0.512 ' OD2' ' N ' ' A' ' 133' ' ' ASP . 0.0 OUTLIER -100.93 -12.5 18.9 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.799 0.333 . . . . 9.56 110.66 -179.979 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 134' ' ' GLY . . . . . . . . . . . . . . . 105.04 8.85 35.59 Favored Glycine 0 CA--C 1.524 0.63 0 N-CA-C 110.971 -0.852 . . . . 7.32 110.971 -179.98 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 135' ' ' GLN . . . . . 0.415 ' CB ' ' HA ' ' A' ' 101' ' ' SER . 4.0 pt20 -146.14 166.19 26.92 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.753 0.311 . . . . 22.05 110.441 179.935 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 136' ' ' VAL . . . . . . . . . . . . . 38.6 t -121.77 100.14 8.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.323 -0.399 . . . . 10.34 110.634 179.999 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 137' ' ' ASN . . . . . . . . . . . . . 3.3 m120 -67.88 159.85 29.64 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.083 -0.508 . . . . 12.02 110.629 -179.987 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 138' ' ' TYR . . . . . . . . . . . . . 33.5 t80 -52.51 -37.34 57.23 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.246 -0.434 . . . . 8.75 110.513 179.982 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 139' ' ' GLU . . . . . . . . . . . . . 1.6 tm-20 -57.55 -37.59 73.35 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.168 -0.469 . . . . 22.33 110.52 -179.968 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 140' ' ' GLU . . . . . . . . . . . . . 1.9 mt-10 -65.09 -39.64 93.48 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.204 -0.453 . . . . 13.45 110.544 179.988 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 141' ' ' PHE . . . . . . . . . . . . . 2.1 m-85 -51.89 -56.91 11.22 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.163 -0.472 . . . . 8.25 110.515 179.889 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 142' ' ' VAL . . . . . 0.44 ' O ' ' CG ' ' A' ' 145' ' ' MET . 71.4 t -52.48 -23.26 4.42 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.164 -0.471 . . . . 10.15 110.49 179.95 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 143' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER -70.03 -46.87 64.13 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.185 -0.462 . . . . 8.24 110.494 179.904 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 144' ' ' MET . . . . . . . . . . . . . 5.0 ttt -48.71 -24.73 1.48 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.138 -0.483 . . . . 6.68 110.523 -179.943 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 145' ' ' MET . . . . . 0.44 ' CG ' ' O ' ' A' ' 142' ' ' VAL . 16.8 ptp . . . . . 0 C--N 1.329 -0.309 0 CA-C-N 116.229 -0.441 . . . . 13.37 110.548 179.864 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 37.0 tt0 . . . . . 0 C--O 1.231 0.089 0 CA-C-O 120.799 0.333 . . . . 23.46 110.577 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 1.2 tp -77.56 126.96 31.7 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.219 -0.446 . . . . 14.38 110.554 179.987 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 5' ' ' THR . . . . . 0.467 ' OG1' ' NE2' ' A' ' 8' ' ' GLN . 69.5 p -72.64 151.39 42.31 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.181 -0.463 . . . . 7.34 110.57 -179.974 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 6' ' ' GLU . . . . . 0.441 ' HG2' ' H ' ' A' ' 7' ' ' GLU . 1.0 OUTLIER -49.05 -44.12 41.43 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.227 -0.442 . . . . 7.12 110.525 179.969 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 7' ' ' GLU . . . . . 0.535 ' C ' ' OE1' ' A' ' 8' ' ' GLN . 25.1 mt-10 -53.16 -28.28 25.47 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.223 -0.444 . . . . 6.85 110.528 179.997 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 8' ' ' GLN . . . . . 0.545 ' OE1' ' N ' ' A' ' 8' ' ' GLN . 0.8 OUTLIER -90.69 -51.69 5.25 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.165 -0.47 . . . . 15.1 110.653 179.975 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 76.8 mt -48.68 -31.18 3.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.193 -0.458 . . . . 4.72 110.553 179.98 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -78.11 -59.45 2.77 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.248 -0.433 . . . . 6.68 110.551 -179.924 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 11.3 tm-20 -44.06 -32.13 1.1 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.265 -0.425 . . . . 18.49 110.613 -179.935 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 12' ' ' PHE . . . . . 0.57 ' CB ' HD21 ' A' ' 69' ' ' LEU . 8.0 m-85 -75.13 -50.06 17.56 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.193 -0.458 . . . . 14.89 110.595 179.941 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 1.7 tmtt? -46.95 -35.17 6.22 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.185 -0.462 . . . . 18.39 110.45 179.991 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 9.6 mm-40 -61.96 -48.91 78.26 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.185 -0.461 . . . . 22.76 110.511 179.988 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 15' ' ' ALA . . . . . 0.48 ' O ' ' CB ' ' A' ' 18' ' ' LEU . . . -45.82 -51.55 12.69 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.176 -0.466 . . . . 5.67 110.574 179.92 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 16' ' ' PHE . . . . . 0.527 ' CE2' HD11 ' A' ' 27' ' ' ILE . 0.1 OUTLIER -42.8 -60.17 1.68 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.153 -0.476 . . . . 13.28 110.416 179.995 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 66.7 m -45.33 -21.44 0.09 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.145 -0.479 . . . . 12.16 110.492 179.998 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 18' ' ' LEU . . . . . 0.48 ' CB ' ' O ' ' A' ' 15' ' ' ALA . 10.2 tp -75.71 -39.01 58.09 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.157 -0.474 . . . . 17.89 110.522 179.971 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 19' ' ' PHE . . . . . 0.429 ' N ' ' O ' ' A' ' 16' ' ' PHE . 52.9 m-85 -90.03 -50.32 6.08 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.252 -0.431 . . . . 9.14 110.515 -179.957 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 1.7 m-20 -72.98 68.19 0.9 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.24 -0.436 . . . . 7.47 110.575 179.994 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 4.8 ttpt -60.85 -19.65 60.41 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.098 -0.501 . . . . 27.75 110.62 -179.952 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 22' ' ' ASP . . . . . 0.511 ' OD1' ' OE2' ' A' ' 31' ' ' GLU . 8.5 m-20 -95.09 -15.26 23.53 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.242 -0.435 . . . . 14.13 110.6 -179.914 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 63.12 37.76 95.45 Favored Glycine 0 CA--C 1.526 0.727 0 N-CA-C 110.909 -0.877 . . . . 11.51 110.909 179.987 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 31.2 m-20 -79.78 -29.83 40.48 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.788 0.327 . . . . 14.28 110.588 -179.989 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 105.18 5.61 40.29 Favored Glycine 0 CA--C 1.525 0.671 0 N-CA-C 110.918 -0.873 . . . . 9.47 110.918 -179.939 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 4.3 p -148.66 143.32 26.42 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.801 0.334 . . . . 16.41 110.576 -179.987 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 27' ' ' ILE . . . . . 0.527 HD11 ' CE2' ' A' ' 16' ' ' PHE . 1.3 mt -107.86 125.15 64.39 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.21 -0.45 . . . . 8.03 110.535 179.995 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 1.5 p -107.32 170.69 7.81 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.19 -0.459 . . . . 7.8 110.558 -179.989 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 1.3 m -70.46 -19.53 62.95 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.183 -0.462 . . . . 10.04 110.548 -179.962 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 32.6 tptt -74.68 -35.49 62.79 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.22 -0.446 . . . . 16.38 110.623 -179.98 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 31' ' ' GLU . . . . . 0.511 ' OE2' ' OD1' ' A' ' 22' ' ' ASP . 30.7 mt-10 -85.32 -28.65 25.1 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.219 -0.446 . . . . 5.59 110.57 -180.0 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 32' ' ' LEU . . . . . 0.497 ' HA ' HD22 ' A' ' 32' ' ' LEU . 0.2 OUTLIER -64.61 -59.87 3.79 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.18 -0.464 . . . . 7.72 110.573 -179.95 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 33' ' ' GLY . . . . . 0.53 ' O ' ' N ' ' A' ' 37' ' ' ARG . . . -57.26 -48.75 77.85 Favored Glycine 0 CA--C 1.525 0.661 0 N-CA-C 110.913 -0.875 . . . . 6.93 110.913 179.979 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 97.7 m -49.48 -43.76 45.42 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.804 0.335 . . . . 9.63 110.506 179.984 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 35' ' ' VAL . . . . . 0.623 ' O ' HD13 ' A' ' 39' ' ' LEU . 72.8 t -71.9 -38.18 63.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.206 -0.452 . . . . 7.07 110.557 -179.993 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 36' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -77.0 -22.36 53.23 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.184 -0.462 . . . . 10.12 110.559 179.995 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 37' ' ' ARG . . . . . 0.53 ' N ' ' O ' ' A' ' 33' ' ' GLY . 36.8 ttm180 -72.54 -31.44 65.3 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.169 -0.469 . . . . 9.87 110.602 179.995 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 32.8 t -85.73 -14.47 45.19 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.225 -0.443 . . . . 8.15 110.611 179.947 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 39' ' ' LEU . . . . . 0.623 HD13 ' O ' ' A' ' 35' ' ' VAL . 4.1 mp -80.98 8.09 9.22 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.175 -0.466 . . . . 12.78 110.585 179.962 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 87.14 5.44 80.21 Favored Glycine 0 CA--C 1.525 0.702 0 N-CA-C 110.912 -0.875 . . . . 9.6 110.912 179.955 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 3.0 mm-40 -99.91 151.27 21.51 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.748 0.309 . . . . 20.35 110.6 -179.958 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 49.8 m-20 -131.98 80.03 65.89 Favored Pre-proline 0 C--N 1.328 -0.332 0 CA-C-N 116.226 -0.443 . . . . 10.22 110.543 179.933 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 43' ' ' PRO . . . . . 0.459 ' CG ' HD21 ' A' ' 48' ' ' LEU . 60.5 Cg_endo -78.13 150.6 26.28 Favored 'Trans proline' 0 C--N 1.306 -1.689 0 C-N-CA 122.792 2.328 . . . . 8.63 112.24 -179.91 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 44' ' ' THR . . . . . 0.493 ' O ' ' N ' ' A' ' 47' ' ' GLU . 66.5 m -98.94 152.19 20.05 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.148 -0.478 . . . . 4.83 110.56 179.896 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 16.6 mt-10 -45.43 -32.17 2.02 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.258 -0.428 . . . . 16.78 110.532 -179.939 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 46' ' ' ALA . . . . . 0.407 ' H ' HG22 ' A' ' 44' ' ' THR . . . -73.63 -26.62 60.86 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.197 -0.456 . . . . 4.8 110.534 179.991 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 47' ' ' GLU . . . . . 0.493 ' N ' ' O ' ' A' ' 44' ' ' THR . 52.0 tt0 -78.55 -60.76 2.24 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.225 -0.443 . . . . 6.18 110.585 -179.997 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 48' ' ' LEU . . . . . 0.459 HD21 ' CG ' ' A' ' 43' ' ' PRO . 68.8 mt -50.21 -49.5 52.54 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.195 -0.457 . . . . 6.65 110.559 179.968 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 19.3 tt0 -49.56 -43.72 46.2 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.177 -0.465 . . . . 7.05 110.558 -179.999 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 11.8 t70 -73.37 -28.42 62.02 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.228 -0.442 . . . . 6.72 110.546 179.993 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 51' ' ' MET . . . . . . . . . . . . . 26.2 ttm -69.52 -59.95 2.65 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.234 -0.439 . . . . 13.6 110.564 179.965 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 52' ' ' ILE . . . . . 0.436 ' HA ' HD13 ' A' ' 52' ' ' ILE . 36.2 mm -49.0 -47.21 16.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.212 -0.449 . . . . 8.71 110.579 179.965 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 8.9 m-20 -48.82 -46.5 42.03 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.246 -0.434 . . . . 9.04 110.522 179.942 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -51.18 -37.0 43.97 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.21 -0.45 . . . . 23.58 110.547 -179.909 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 55' ' ' VAL . . . . . 0.426 HG11 HD13 ' A' ' 63' ' ' ILE . 19.0 t -93.67 -18.73 6.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.236 -0.438 . . . . 7.6 110.533 179.997 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 56' ' ' ASP . . . . . 0.576 ' OD1' ' OD1' ' A' ' 60' ' ' ASP . 40.8 t0 -107.61 92.07 3.92 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.165 -0.47 . . . . 12.55 110.582 179.993 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -82.69 -31.64 28.48 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.213 -0.449 . . . . 15.13 110.6 -179.96 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -80.5 -10.16 59.75 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.192 -0.458 . . . . 14.32 110.603 179.966 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 61.45 47.78 88.74 Favored Glycine 0 CA--C 1.524 0.634 0 N-CA-C 110.989 -0.844 . . . . 13.64 110.989 -179.957 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 60' ' ' ASP . . . . . 0.652 ' OD1' ' N ' ' A' ' 60' ' ' ASP . 0.0 OUTLIER -87.57 -9.99 52.82 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.792 0.33 . . . . 13.27 110.564 -179.993 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 88.41 -3.73 85.3 Favored Glycine 0 CA--C 1.525 0.697 0 N-CA-C 110.885 -0.886 . . . . 11.65 110.885 -179.999 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 52.2 p -140.78 178.61 7.22 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.794 0.331 . . . . 11.55 110.591 -179.96 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 63' ' ' ILE . . . . . 0.491 HD12 ' HB ' ' A' ' 27' ' ' ILE . 98.6 mt -119.96 141.22 41.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.227 -0.442 . . . . 10.06 110.543 -179.983 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 64' ' ' ASP . . . . . 0.623 ' OD1' ' N ' ' A' ' 64' ' ' ASP . 0.0 OUTLIER -96.2 -178.86 4.46 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.215 -0.448 . . . . 11.33 110.541 179.961 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 65' ' ' PHE . . . . . 0.547 ' N ' ' HD2' ' A' ' 66' ' ' PRO . 3.0 t80 -85.03 -45.1 0.67 Allowed Pre-proline 0 CA--C 1.532 0.282 0 CA-C-N 116.288 -0.415 . . . . 7.4 111.217 -179.956 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 66' ' ' PRO . . . . . 0.547 ' HD2' ' N ' ' A' ' 65' ' ' PHE . 55.8 Cg_endo -74.7 -42.83 0.51 Allowed 'Trans proline' 0 N--CA 1.492 1.386 0 C-N-CA 122.021 1.814 . . . . 6.66 111.952 -179.946 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 67' ' ' GLU . . . . . 0.539 ' OE1' ' CG ' ' A' ' 64' ' ' ASP . 11.4 pt-20 -67.22 -19.0 65.48 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.226 -0.443 . . . . 7.44 110.26 179.688 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 68' ' ' PHE . . . . . . . . . . . . . 20.2 t80 -73.2 -25.12 60.64 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.018 -0.537 . . . . 8.58 110.384 179.871 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 69' ' ' LEU . . . . . 0.57 HD21 ' CB ' ' A' ' 12' ' ' PHE . 0.7 OUTLIER -83.24 -30.58 27.57 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.182 -0.463 . . . . 9.43 110.316 179.596 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 1.2 m -64.04 -55.18 24.11 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.123 -0.489 . . . . 7.53 110.586 -179.948 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 71' ' ' MET . . . . . 0.413 ' SD ' ' HG2' ' A' ' 72' ' ' MET . 0.0 OUTLIER -49.08 -44.78 42.29 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.191 -0.459 . . . . 11.86 110.561 179.979 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 72' ' ' MET . . . . . 0.413 ' HG2' ' SD ' ' A' ' 71' ' ' MET . 8.0 mmm -79.25 -40.69 29.96 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.221 -0.445 . . . . 22.32 110.654 -179.953 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 73' ' ' ALA . . . . . 0.443 ' CB ' ' O ' ' A' ' 69' ' ' LEU . . . -64.54 -56.41 14.21 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.222 -0.445 . . . . 9.15 110.645 -179.955 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 12.8 ttt180 -45.27 -40.48 7.6 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.181 -0.463 . . . . 13.8 110.597 -179.996 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 30.8 tptt -51.58 -46.37 63.45 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.178 -0.464 . . . . 25.18 110.523 -179.973 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 76' ' ' MET . . . . . . . . . . . . . 59.7 mmm -60.99 -34.69 75.18 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.244 -0.434 . . . . 34.79 110.561 179.964 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 26.7 mtmm -94.65 39.92 1.09 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.216 -0.447 . . . . 37.65 110.58 -179.984 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 78' ' ' ASP . . . . . 0.405 ' CG ' ' H ' ' A' ' 79' ' ' THR . 28.2 t0 -158.07 -173.37 4.31 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.16 -0.473 . . . . 42.58 110.533 -179.978 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 79' ' ' THR . . . . . 0.405 ' H ' ' CG ' ' A' ' 78' ' ' ASP . 70.5 p -72.7 163.51 27.97 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.202 -0.454 . . . . 38.4 110.596 179.997 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 3.5 m-20 -123.01 147.19 46.93 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.207 -0.451 . . . . 37.51 110.573 -179.973 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 13.8 p -113.78 112.75 23.93 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.184 -0.462 . . . . 33.12 110.539 -179.989 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 82' ' ' GLU . . . . . 0.433 ' H ' ' CD ' ' A' ' 82' ' ' GLU . 0.3 OUTLIER -59.89 -11.48 5.63 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.253 -0.431 . . . . 34.28 110.51 -179.98 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 83' ' ' GLU . . . . . 0.435 ' HG3' HH11 ' A' ' 86' ' ' ARG . 30.4 tt0 -62.7 -56.27 19.22 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.252 -0.431 . . . . 30.91 110.565 -179.959 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 82.2 mt-10 -60.27 -32.87 71.59 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.221 -0.445 . . . . 22.86 110.573 179.988 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 85' ' ' ILE . . . . . . . . . . . . . 8.1 mt -66.92 -20.48 27.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.231 -0.441 . . . . 19.17 110.569 -179.992 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 86' ' ' ARG . . . . . 0.435 HH11 ' HG3' ' A' ' 83' ' ' GLU . 40.0 mtm180 -82.41 -52.27 7.05 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.15 -0.477 . . . . 26.85 110.53 179.993 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 87' ' ' GLU . . . . . 0.447 ' HA ' ' NH2' ' A' ' 90' ' ' ARG . 4.0 tt0 -68.5 -54.66 15.43 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.174 -0.466 . . . . 16.48 110.561 180.0 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -48.52 -45.31 37.14 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.209 -0.45 . . . . 9.91 110.568 179.998 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 89' ' ' PHE . . . . . 0.499 ' C ' ' CD2' ' A' ' 89' ' ' PHE . 16.1 t80 -65.62 -29.97 70.62 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.239 -0.437 . . . . 8.53 110.584 179.975 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 90' ' ' ARG . . . . . 0.447 ' NH2' ' HA ' ' A' ' 87' ' ' GLU . 14.4 ttm105 -79.71 -18.92 50.13 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.18 -0.464 . . . . 17.58 110.585 179.95 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 91' ' ' VAL . . . . . . . . . . . . . 55.2 t -66.12 -26.52 38.41 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 116.192 -0.458 . . . . 7.82 110.589 -179.982 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 92' ' ' PHE . . . . . 0.491 ' CD1' HG11 ' A' ' 108' ' ' VAL . 86.6 m-85 -95.31 -41.43 9.03 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.161 -0.472 . . . . 9.11 110.702 179.986 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 93' ' ' ASP . . . . . 0.562 ' OD2' ' O ' ' A' ' 99' ' ' TYR . 7.4 t0 -80.36 68.82 6.66 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.198 -0.456 . . . . 11.11 110.655 -179.877 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 77.8 mttt -49.42 -19.02 0.46 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.222 -0.444 . . . . 14.57 111.122 -179.662 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 95' ' ' ASP . . . . . 0.572 ' OD1' ' OE1' ' A' ' 104' ' ' GLU . 1.8 m-20 -78.91 -13.87 59.55 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 120.857 0.36 . . . . 10.2 110.617 -179.918 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 60.49 11.77 23.02 Favored Glycine 0 CA--C 1.525 0.66 0 N-CA-C 111.024 -0.83 . . . . 6.24 111.024 -179.869 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 97' ' ' ASN . . . . . 0.677 ' ND2' ' CE1' ' A' ' 99' ' ' TYR . 32.9 p-10 -73.85 5.84 3.78 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.894 0.378 . . . . 7.56 110.359 179.794 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 98' ' ' GLY . . . . . 0.46 ' O ' ' CZ ' ' A' ' 89' ' ' PHE . . . 67.31 -7.83 1.7 Allowed Glycine 0 CA--C 1.526 0.728 0 N-CA-C 110.979 -0.849 . . . . 7.08 110.979 179.883 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 99' ' ' TYR . . . . . 0.677 ' CE1' ' ND2' ' A' ' 97' ' ' ASN . 0.8 OUTLIER -129.77 141.04 50.93 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.842 0.354 . . . . 9.0 110.58 -179.993 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 12.8 mt -122.1 128.67 75.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.194 -0.457 . . . . 9.29 110.469 179.94 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 101' ' ' SER . . . . . 0.455 ' C ' ' N ' ' A' ' 103' ' ' ALA . 5.2 p -91.91 151.53 20.49 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.276 -0.42 . . . . 7.02 110.675 -179.944 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -44.48 -19.31 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.069 -0.514 . . . . 6.41 110.652 -179.912 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 103' ' ' ALA . . . . . 0.455 ' N ' ' C ' ' A' ' 101' ' ' SER . . . -73.38 -60.02 2.44 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.203 -0.453 . . . . 5.01 110.663 -179.918 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 104' ' ' GLU . . . . . 0.572 ' OE1' ' OD1' ' A' ' 95' ' ' ASP . 8.8 mt-10 -63.85 -42.48 97.56 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.204 -0.453 . . . . 6.84 110.597 -179.944 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 105' ' ' LEU . . . . . 0.655 HD13 ' O ' ' A' ' 105' ' ' LEU . 0.2 OUTLIER -47.61 -51.04 22.65 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.258 -0.428 . . . . 4.99 110.585 -179.958 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 106' ' ' ARG . . . . . 0.569 ' O ' ' OG1' ' A' ' 110' ' ' THR . 55.7 ttt-85 -69.17 -28.13 66.14 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.216 -0.447 . . . . 15.24 110.622 -179.969 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 107' ' ' HIS . . . . . . . . . . . . . 54.2 t-80 -61.04 -45.21 95.71 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.184 -0.462 . . . . 15.69 110.643 -179.981 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 108' ' ' VAL . . . . . 0.491 HG11 ' CD1' ' A' ' 92' ' ' PHE . 55.7 t -68.94 -62.63 1.19 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.164 -0.471 . . . . 12.28 110.673 179.999 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 109' ' ' MET . . . . . . . . . . . . . 3.3 mmt -55.75 -18.81 9.16 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.171 -0.468 . . . . 9.53 110.649 -179.948 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 110' ' ' THR . . . . . 0.569 ' OG1' ' O ' ' A' ' 106' ' ' ARG . 1.4 m -71.38 -50.27 33.82 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.28 -0.418 . . . . 11.87 110.689 -179.963 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 111' ' ' ASN . . . . . . . . . . . . . 21.3 t-20 -74.94 -14.75 60.67 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.291 -0.413 . . . . 21.65 110.62 -179.997 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 112' ' ' LEU . . . . . 0.463 ' HA ' HD22 ' A' ' 112' ' ' LEU . 0.6 OUTLIER -50.04 -24.75 2.84 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.196 -0.457 . . . . 19.55 110.517 -179.988 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . 115.35 -2.0 22.2 Favored Glycine 0 CA--C 1.525 0.678 0 N-CA-C 110.798 -0.921 . . . . 19.66 110.798 -179.912 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 22.6 mp0 -124.54 128.08 48.38 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.723 0.297 . . . . 25.55 110.393 179.691 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 2.0 tptp -85.79 116.94 24.35 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.412 -0.358 . . . . 23.26 110.572 -179.925 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 116' ' ' LEU . . . . . . . . . . . . . 10.2 mt -109.96 145.54 36.76 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.232 -0.44 . . . . 23.07 110.554 179.95 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 117' ' ' THR . . . . . 0.622 ' O ' HG23 ' A' ' 121' ' ' VAL . 15.6 p -69.23 148.69 49.47 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.179 -0.464 . . . . 19.41 110.588 179.975 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 118' ' ' ASP . . . . . . . . . . . . . 9.3 p-10 -74.71 -42.23 58.73 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.213 -0.449 . . . . 18.08 110.572 179.944 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 119' ' ' GLU . . . . . . . . . . . . . 44.8 mt-10 -58.25 -27.69 64.22 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.197 -0.456 . . . . 20.16 110.596 179.991 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 120' ' ' GLU . . . . . . . . . . . . . 1.2 tp10 -82.28 -36.59 26.91 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.174 -0.466 . . . . 14.19 110.545 -179.962 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 121' ' ' VAL . . . . . 0.622 HG23 ' O ' ' A' ' 117' ' ' THR . 93.3 t -70.34 -43.55 78.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.24 -0.436 . . . . 14.97 110.57 179.978 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 122' ' ' ASP . . . . . . . . . . . . . 1.1 t70 -68.04 -51.89 41.67 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.214 -0.448 . . . . 20.12 110.563 179.997 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 123' ' ' GLU . . . . . . . . . . . . . 50.2 tp10 -53.23 -56.03 19.74 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.197 -0.456 . . . . 15.72 110.595 -179.971 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 124' ' ' MET . . . . . . . . . . . . . 10.6 mmt -48.52 -61.52 1.98 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.211 -0.449 . . . . 9.75 110.578 179.975 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 125' ' ' ILE . . . . . 0.469 HD11 ' HG ' ' A' ' 105' ' ' LEU . 21.0 mt -57.3 -53.82 38.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.144 -0.48 . . . . 11.99 110.566 -179.986 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 126' ' ' ARG . . . . . . . . . . . . . 69.3 ttt180 -46.06 -20.53 0.1 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.207 -0.451 . . . . 27.23 110.577 -179.986 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 127' ' ' GLU . . . . . 0.426 ' N ' ' C ' ' A' ' 125' ' ' ILE . 3.9 tt0 -81.85 -49.31 10.51 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.152 -0.476 . . . . 15.5 110.537 -179.969 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 128' ' ' ALA . . . . . . . . . . . . . . . -81.49 -12.89 58.7 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.237 -0.438 . . . . 10.5 110.579 179.994 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 129' ' ' ASP . . . . . 0.59 ' OD2' ' N ' ' A' ' 132' ' ' GLY . 37.1 t0 -72.19 92.78 1.39 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.194 -0.457 . . . . 10.86 110.594 179.975 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 130' ' ' ILE . . . . . . . . . . . . . 30.6 mt -49.53 -44.96 19.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.154 -0.475 . . . . 12.26 110.595 -179.973 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 131' ' ' ASP . . . . . 0.567 ' OD2' ' N ' ' A' ' 131' ' ' ASP . 0.1 OUTLIER -74.8 -17.77 60.57 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.171 -0.468 . . . . 7.79 110.622 -179.984 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 132' ' ' GLY . . . . . 0.59 ' N ' ' OD2' ' A' ' 129' ' ' ASP . . . 49.2 42.31 32.02 Favored Glycine 0 CA--C 1.524 0.635 0 N-CA-C 110.947 -0.861 . . . . 3.93 110.947 -179.97 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 133' ' ' ASP . . . . . 0.477 ' OD2' ' N ' ' A' ' 135' ' ' GLN . 12.9 p30 -100.12 -9.91 22.05 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.749 0.309 . . . . 9.56 110.575 179.972 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 134' ' ' GLY . . . . . . . . . . . . . . . 104.96 5.72 40.79 Favored Glycine 0 CA--C 1.524 0.649 0 N-CA-C 110.933 -0.867 . . . . 7.32 110.933 179.993 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 135' ' ' GLN . . . . . 0.546 ' O ' ' OD1' ' A' ' 129' ' ' ASP . 4.6 mp0 -136.68 157.78 45.98 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.824 0.345 . . . . 22.05 110.559 179.948 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 136' ' ' VAL . . . . . . . . . . . . . 48.5 t -111.71 139.34 36.51 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.233 -0.44 . . . . 10.34 110.605 -179.972 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 137' ' ' ASN . . . . . . . . . . . . . 14.6 m120 -109.78 159.53 17.11 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.146 -0.479 . . . . 12.02 110.355 179.649 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 138' ' ' TYR . . . . . . . . . . . . . 27.1 t80 -54.32 -31.34 53.99 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.381 -0.372 . . . . 8.75 110.497 179.919 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 139' ' ' GLU . . . . . . . . . . . . . 28.5 tt0 -64.32 -41.65 96.7 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.138 -0.483 . . . . 22.33 110.521 179.958 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 140' ' ' GLU . . . . . . . . . . . . . 2.2 mt-10 -61.48 -42.85 99.41 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.178 -0.465 . . . . 13.45 110.493 179.935 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 141' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER -50.18 -44.06 52.73 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.206 -0.452 . . . . 8.25 110.495 179.874 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 142' ' ' VAL . . . . . 0.656 ' O ' ' SD ' ' A' ' 145' ' ' MET . 6.4 t -59.26 -50.74 78.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.17 -0.468 . . . . 10.15 110.469 179.869 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 143' ' ' GLN . . . . . 0.446 ' H ' ' HG2' ' A' ' 143' ' ' GLN . 30.8 mm-40 -43.33 -38.37 2.64 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.194 -0.457 . . . . 8.24 110.48 179.873 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 144' ' ' MET . . . . . . . . . . . . . 2.9 mmt -55.21 -43.64 74.64 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.175 -0.466 . . . . 6.68 110.506 179.941 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 145' ' ' MET . . . . . 0.656 ' SD ' ' O ' ' A' ' 142' ' ' VAL . 1.1 ppp? . . . . . 0 C--N 1.329 -0.305 0 CA-C-N 116.23 -0.441 . . . . 13.37 110.55 179.971 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 39.6 mm-40 . . . . . 0 C--O 1.23 0.072 0 CA-C-O 120.833 0.349 . . . . 23.46 110.571 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 1.1 tp -78.9 126.92 31.34 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.172 -0.467 . . . . 14.38 110.594 -179.973 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 8.3 m -75.92 155.19 35.4 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.192 -0.458 . . . . 7.34 110.591 -179.98 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 6' ' ' GLU . . . . . 0.419 ' HG3' ' H ' ' A' ' 7' ' ' GLU . 0.8 OUTLIER -52.54 -47.0 67.02 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.196 -0.456 . . . . 7.12 110.561 179.986 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 7' ' ' GLU . . . . . 0.419 ' H ' ' HG3' ' A' ' 6' ' ' GLU . 42.0 mt-10 -52.07 -27.28 13.32 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.187 -0.46 . . . . 6.85 110.551 179.995 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 30.1 mt-30 -90.71 -47.9 7.37 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.218 -0.446 . . . . 15.1 110.543 -179.953 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 69.3 mt -57.3 -32.32 40.58 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.208 -0.451 . . . . 4.72 110.555 -179.95 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -72.24 -59.46 2.72 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.197 -0.456 . . . . 6.68 110.557 -179.964 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 11.2 tp10 -45.49 -39.88 7.79 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.243 -0.435 . . . . 18.49 110.554 -179.946 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 12' ' ' PHE . . . . . 0.5 ' CG ' HD21 ' A' ' 69' ' ' LEU . 3.9 m-85 -63.46 -44.34 94.74 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.22 -0.445 . . . . 14.89 110.596 180.0 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 13.8 ttmm -47.93 -32.32 6.25 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.165 -0.47 . . . . 18.39 110.579 179.909 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -66.63 -51.43 56.4 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.197 -0.456 . . . . 22.76 110.592 179.989 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -45.05 -48.29 11.76 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.238 -0.437 . . . . 5.67 110.543 179.977 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -49.84 -60.23 3.1 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.165 -0.471 . . . . 13.28 110.49 179.984 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -47.34 -21.59 0.31 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.164 -0.471 . . . . 12.16 110.473 179.966 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 18' ' ' LEU . . . . . 0.449 HD22 ' HA ' ' A' ' 18' ' ' LEU . 0.1 OUTLIER -74.96 -37.54 61.93 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.155 -0.475 . . . . 17.89 110.507 179.927 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 47.3 m-85 -90.05 -50.21 6.14 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.225 -0.443 . . . . 9.14 110.589 179.953 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 20' ' ' ASP . . . . . 0.495 ' O ' ' N ' ' A' ' 23' ' ' GLY . 36.7 t0 -79.8 73.86 6.52 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.186 -0.461 . . . . 7.47 110.575 -179.989 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -48.39 -20.88 0.45 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.18 -0.464 . . . . 27.75 110.69 -179.957 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 32.4 m-20 -96.63 -15.32 21.58 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.284 -0.416 . . . . 14.13 110.577 -179.984 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 23' ' ' GLY . . . . . 0.495 ' N ' ' O ' ' A' ' 20' ' ' ASP . . . 55.74 34.87 61.4 Favored Glycine 0 CA--C 1.525 0.702 0 N-CA-C 110.93 -0.868 . . . . 11.51 110.93 -179.956 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 54.0 m-20 -70.8 -18.99 62.73 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.817 0.342 . . . . 14.28 110.666 179.98 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 105.18 2.64 41.72 Favored Glycine 0 CA--C 1.524 0.646 0 N-CA-C 110.92 -0.872 . . . . 9.47 110.92 179.995 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 57.9 p -145.87 138.36 25.58 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.86 0.362 . . . . 16.41 110.552 -179.992 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 27' ' ' ILE . . . . . 0.644 ' HB ' HD12 ' A' ' 63' ' ' ILE . 88.3 mt -98.63 125.7 51.95 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.188 -0.46 . . . . 8.03 110.578 179.971 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 11.8 p -100.45 175.35 5.72 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.177 -0.465 . . . . 7.8 110.58 -179.94 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 29' ' ' THR . . . . . 0.686 HG22 HD23 ' A' ' 48' ' ' LEU . 8.3 m -78.34 -37.99 43.19 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.174 -0.466 . . . . 10.04 110.541 -179.94 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 23.3 tttp -65.24 -32.2 73.75 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.246 -0.434 . . . . 16.38 110.603 -179.917 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 4.9 mt-10 -78.48 -31.41 47.8 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.221 -0.445 . . . . 5.59 110.501 -179.95 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 32' ' ' LEU . . . . . 0.439 HD13 ' CG2' ' A' ' 27' ' ' ILE . 1.8 tp -64.15 -59.85 3.93 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.182 -0.463 . . . . 7.72 110.521 -179.993 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 33' ' ' GLY . . . . . 0.518 ' H ' HD21 ' A' ' 48' ' ' LEU . . . -44.58 -43.4 7.84 Favored Glycine 0 CA--C 1.525 0.683 0 N-CA-C 110.887 -0.885 . . . . 6.93 110.887 -179.995 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 6.7 m -52.2 -36.7 52.76 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.738 0.304 . . . . 9.63 110.478 179.986 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 35' ' ' VAL . . . . . 0.572 ' O ' ' OG ' ' A' ' 38' ' ' SER . 61.3 t -60.19 -55.81 21.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.243 -0.435 . . . . 7.07 110.574 179.977 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 36' ' ' MET . . . . . 0.44 ' CG ' ' NE2' ' A' ' 41' ' ' GLN . 0.0 OUTLIER -59.31 -34.08 71.88 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.225 -0.443 . . . . 10.12 110.508 179.96 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 37' ' ' ARG . . . . . 0.436 ' NH2' ' HG2' ' A' ' 37' ' ' ARG . 29.5 ttt-85 -55.16 -31.24 61.2 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.208 -0.451 . . . . 9.87 110.537 179.999 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 38' ' ' SER . . . . . 0.572 ' OG ' ' O ' ' A' ' 35' ' ' VAL . 53.4 p -80.57 -18.22 49.01 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.213 -0.449 . . . . 8.15 110.505 179.912 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 39' ' ' LEU . . . . . 0.598 HD21 HD11 ' A' ' 112' ' ' LEU . 85.8 mt -90.45 12.41 18.64 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.171 -0.468 . . . . 12.78 110.515 -179.995 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 64.33 27.13 71.2 Favored Glycine 0 CA--C 1.525 0.69 0 N-CA-C 110.911 -0.875 . . . . 9.6 110.911 179.984 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 41' ' ' GLN . . . . . 0.44 ' NE2' ' CG ' ' A' ' 36' ' ' MET . 1.6 tt0 -102.96 155.58 18.26 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.84 0.352 . . . . 20.35 110.621 -179.976 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 42' ' ' ASN . . . . . 0.418 ' ND2' ' N ' ' A' ' 42' ' ' ASN . 0.0 OUTLIER -131.17 80.09 69.35 Favored Pre-proline 0 C--N 1.328 -0.332 0 CA-C-N 116.193 -0.458 . . . . 10.22 110.487 179.976 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 59.2 Cg_endo -77.71 153.51 29.98 Favored 'Trans proline' 0 C--N 1.306 -1.659 0 C-N-CA 122.777 2.318 . . . . 8.63 112.254 -179.801 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 34.4 p -84.48 151.54 24.55 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.073 -0.512 . . . . 4.83 110.588 179.943 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 16.5 mt-10 -53.08 -31.43 41.75 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.223 -0.444 . . . . 16.78 110.578 -179.998 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -75.38 -43.31 50.89 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.173 -0.467 . . . . 4.8 110.546 -179.984 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 14.2 mm-40 -54.83 -60.86 2.78 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.193 -0.458 . . . . 6.18 110.49 -179.965 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 48' ' ' LEU . . . . . 0.686 HD23 HG22 ' A' ' 29' ' ' THR . 3.2 tp -52.37 -48.84 65.34 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.229 -0.442 . . . . 6.65 110.576 179.983 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 2.1 tt0 -54.48 -46.59 73.43 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.169 -0.468 . . . . 7.05 110.537 179.971 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 6.7 m-20 -66.49 -26.05 66.99 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.22 -0.446 . . . . 6.72 110.577 179.979 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 51' ' ' MET . . . . . 0.571 ' SD ' ' C ' ' A' ' 51' ' ' MET . 0.1 OUTLIER -70.18 -56.92 5.62 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.161 -0.472 . . . . 13.6 110.555 179.949 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 52' ' ' ILE . . . . . 0.527 HG13 HG23 ' A' ' 29' ' ' THR . 3.9 mm -49.02 -42.31 14.32 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.193 -0.458 . . . . 8.71 110.514 -179.996 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -50.98 -46.85 61.45 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.253 -0.431 . . . . 9.04 110.507 179.962 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 2.7 tt0 -51.2 -37.39 46.42 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.217 -0.447 . . . . 23.58 110.576 -179.982 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 55' ' ' VAL . . . . . 0.505 HG11 HD13 ' A' ' 63' ' ' ILE . 21.6 t -91.02 -17.49 7.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.18 -0.464 . . . . 7.6 110.589 179.99 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 56' ' ' ASP . . . . . 0.521 ' OD1' ' O ' ' A' ' 62' ' ' THR . 1.4 t70 -100.69 84.6 2.76 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.168 -0.469 . . . . 12.55 110.559 179.99 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -78.2 -28.76 48.1 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.166 -0.47 . . . . 15.13 110.603 179.99 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 58' ' ' ASP . . . . . 0.466 ' OD2' ' OE2' ' A' ' 67' ' ' GLU . 1.1 m-20 -85.34 -10.61 56.14 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.213 -0.449 . . . . 14.32 110.509 -179.978 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 59.14 35.06 82.51 Favored Glycine 0 CA--C 1.524 0.62 0 N-CA-C 110.951 -0.86 . . . . 13.64 110.951 -179.965 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 60' ' ' ASP . . . . . 0.519 ' OD2' ' OG1' ' A' ' 62' ' ' THR . 12.3 p-10 -83.69 -15.45 48.71 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.826 0.346 . . . . 13.27 110.535 -179.955 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 90.96 13.22 59.38 Favored Glycine 0 CA--C 1.525 0.678 0 N-CA-C 110.925 -0.87 . . . . 11.65 110.925 179.971 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 62' ' ' THR . . . . . 0.521 ' O ' ' OD1' ' A' ' 56' ' ' ASP . 3.2 p -152.71 165.23 35.95 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.789 0.328 . . . . 11.55 110.569 -179.954 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 63' ' ' ILE . . . . . 0.644 HD12 ' HB ' ' A' ' 27' ' ' ILE . 68.2 mt -115.75 141.41 33.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.175 -0.466 . . . . 10.06 110.539 -179.959 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 64' ' ' ASP . . . . . 0.506 ' OD1' ' OE1' ' A' ' 67' ' ' GLU . 7.3 m-20 -106.87 -174.53 2.56 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.202 -0.454 . . . . 11.33 110.635 -179.885 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 65' ' ' PHE . . . . . 0.526 ' N ' ' HD2' ' A' ' 66' ' ' PRO . 0.1 OUTLIER -74.73 -49.48 4.63 Favored Pre-proline 0 C--N 1.33 -0.254 0 CA-C-N 116.163 -0.471 . . . . 7.4 111.171 -179.912 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 66' ' ' PRO . . . . . 0.526 ' HD2' ' N ' ' A' ' 65' ' ' PHE . 46.7 Cg_endo -73.9 -16.93 22.97 Favored 'Trans proline' 0 C--N 1.309 -1.507 0 C-N-CA 122.251 1.968 . . . . 6.66 112.051 -179.79 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 67' ' ' GLU . . . . . 0.506 ' OE1' ' OD1' ' A' ' 64' ' ' ASP . 43.5 mt-10 -91.66 -24.74 19.42 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.121 -0.49 . . . . 7.44 110.363 179.782 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 68' ' ' PHE . . . . . . . . . . . . . 10.8 t80 -82.83 -28.45 30.16 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.101 -0.499 . . . . 8.58 110.713 -179.949 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 69' ' ' LEU . . . . . 0.5 HD21 ' CG ' ' A' ' 12' ' ' PHE . 0.7 OUTLIER -83.95 -36.94 22.89 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.289 -0.414 . . . . 9.43 110.354 179.537 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 70' ' ' THR . . . . . 0.456 ' O ' ' N ' ' A' ' 74' ' ' ARG . 0.1 OUTLIER -54.96 -57.86 9.96 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.061 -0.518 . . . . 7.53 110.593 -179.983 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 71' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -47.86 -37.42 13.9 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.195 -0.457 . . . . 11.86 110.446 -179.973 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 72' ' ' MET . . . . . . . . . . . . . 2.0 mmt -83.19 -34.92 25.83 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.179 -0.464 . . . . 22.32 110.645 179.994 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 73' ' ' ALA . . . . . 0.445 ' N ' ' O ' ' A' ' 69' ' ' LEU . . . -75.45 -56.45 4.69 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.244 -0.435 . . . . 9.15 110.655 -179.979 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 74' ' ' ARG . . . . . 0.513 ' CG ' ' N ' ' A' ' 75' ' ' LYS . 8.6 ptm180 -45.26 -44.0 10.9 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.218 -0.446 . . . . 13.8 110.516 -179.997 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 75' ' ' LYS . . . . . 0.513 ' N ' ' CG ' ' A' ' 74' ' ' ARG . 21.3 mttt -51.63 -45.49 63.32 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.198 -0.455 . . . . 25.18 110.54 179.998 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 76' ' ' MET . . . . . . . . . . . . . 6.2 tpt -53.94 -38.34 64.81 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.245 -0.434 . . . . 34.79 110.583 179.942 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 77' ' ' LYS . . . . . 0.563 ' O ' ' OD1' ' A' ' 78' ' ' ASP . 21.6 tttt -95.76 40.0 1.12 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.195 -0.457 . . . . 37.65 110.584 -179.972 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 78' ' ' ASP . . . . . 0.563 ' OD1' ' O ' ' A' ' 77' ' ' LYS . 1.2 m-20 -155.94 -177.36 6.51 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.222 -0.445 . . . . 42.58 110.548 -179.971 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -72.18 161.37 30.97 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.194 -0.457 . . . . 38.4 110.515 179.955 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 22.3 t70 -122.0 146.76 46.85 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.189 -0.459 . . . . 37.51 110.575 179.993 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 58.6 m -111.81 121.18 44.37 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.147 -0.479 . . . . 33.12 110.577 -179.979 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 82' ' ' GLU . . . . . 0.652 ' N ' ' OE2' ' A' ' 82' ' ' GLU . 1.0 OUTLIER -66.92 -10.32 47.54 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.231 -0.441 . . . . 34.28 110.573 -179.992 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 34.9 mt-10 -57.31 -34.18 68.46 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.226 -0.443 . . . . 30.91 110.591 -179.997 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -83.07 -45.34 14.13 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.219 -0.446 . . . . 22.86 110.598 -179.971 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 85' ' ' ILE . . . . . . . . . . . . . 86.0 mt -50.77 -33.89 12.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.189 -0.46 . . . . 19.17 110.659 -179.965 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 86' ' ' ARG . . . . . 0.47 ' HG3' ' N ' ' A' ' 87' ' ' GLU . 4.5 ptm180 -83.5 -53.36 5.75 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.223 -0.444 . . . . 26.85 110.616 -179.985 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 87' ' ' GLU . . . . . 0.917 ' O ' HG23 ' A' ' 91' ' ' VAL . 3.2 tt0 -58.29 -40.01 80.84 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.212 -0.449 . . . . 16.48 110.656 -179.94 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -71.98 -30.08 64.9 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.23 -0.441 . . . . 9.91 110.678 -179.958 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 89' ' ' PHE . . . . . 0.432 ' C ' ' CD2' ' A' ' 89' ' ' PHE . 23.5 t80 -73.63 -45.54 52.24 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.239 -0.437 . . . . 8.53 110.633 -179.969 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 8.5 ptt180 -73.34 -18.85 61.14 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.239 -0.437 . . . . 17.58 110.517 -179.948 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 91' ' ' VAL . . . . . 0.917 HG23 ' O ' ' A' ' 87' ' ' GLU . 4.6 t -65.29 -27.09 41.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.161 -0.472 . . . . 7.82 110.596 -179.971 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 92' ' ' PHE . . . . . 0.594 ' CE1' HG11 ' A' ' 108' ' ' VAL . 8.9 m-85 -95.32 -50.51 4.99 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.264 -0.425 . . . . 9.11 110.721 -179.95 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 93' ' ' ASP . . . . . 0.644 ' CG ' HD21 ' A' ' 97' ' ' ASN . 16.2 t0 -68.96 68.82 0.17 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.222 -0.444 . . . . 11.11 110.622 -179.923 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -48.77 -18.56 0.28 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.184 -0.462 . . . . 14.57 111.165 -179.659 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 95' ' ' ASP . . . . . 0.496 ' CB ' ' ND2' ' A' ' 97' ' ' ASN . 5.5 m-20 -77.56 -12.53 59.97 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-O 120.867 0.365 . . . . 10.2 110.647 -179.857 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 60.12 9.66 12.1 Favored Glycine 0 CA--C 1.524 0.652 0 N-CA-C 111.048 -0.821 . . . . 6.24 111.048 -179.953 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 97' ' ' ASN . . . . . 0.895 ' H ' HD22 ' A' ' 97' ' ' ASN . 0.2 OUTLIER -69.68 2.32 3.38 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.886 0.374 . . . . 7.56 110.436 179.841 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 98' ' ' GLY . . . . . 0.455 ' C ' ' CD2' ' A' ' 99' ' ' TYR . . . 64.88 10.92 48.5 Favored Glycine 0 CA--C 1.524 0.622 0 N-CA-C 111.012 -0.835 . . . . 7.08 111.012 179.982 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 99' ' ' TYR . . . . . 0.664 ' CE1' ' O ' ' A' ' 97' ' ' ASN . 2.0 m-85 -130.31 136.59 49.3 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.81 0.338 . . . . 9.0 110.572 179.94 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 28.5 mt -116.18 107.46 22.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.17 -0.468 . . . . 9.29 110.554 -179.991 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -87.94 151.69 22.62 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.261 -0.427 . . . . 7.02 110.655 -179.88 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -50.99 -24.17 3.49 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.137 -0.483 . . . . 6.41 110.677 -179.947 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -64.14 -60.02 3.73 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.193 -0.458 . . . . 5.01 110.612 -179.892 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 104' ' ' GLU . . . . . 0.577 ' OE1' ' OD1' ' A' ' 93' ' ' ASP . 4.8 pt-20 -69.77 -24.8 63.56 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.19 -0.459 . . . . 6.84 110.649 -179.938 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 105' ' ' LEU . . . . . . . . . . . . . 26.9 tp -63.74 -48.53 76.65 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.25 -0.432 . . . . 4.99 110.443 179.949 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 106' ' ' ARG . . . . . 0.573 ' O ' ' OG1' ' A' ' 110' ' ' THR . 1.3 ttm180 -71.56 -15.86 62.29 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.201 -0.454 . . . . 15.24 110.551 -179.981 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 107' ' ' HIS . . . . . . . . . . . . . 84.4 t60 -72.58 -36.64 68.21 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.184 -0.462 . . . . 15.69 110.622 -179.941 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 108' ' ' VAL . . . . . 0.594 HG11 ' CE1' ' A' ' 92' ' ' PHE . 7.1 t -76.95 -62.67 1.27 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.225 -0.443 . . . . 12.28 110.586 -179.964 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 109' ' ' MET . . . . . 0.578 ' O ' ' O ' ' A' ' 114' ' ' GLU . 2.9 mmt -52.34 -25.77 10.54 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.215 -0.448 . . . . 9.53 110.673 -179.898 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 110' ' ' THR . . . . . 0.573 ' OG1' ' O ' ' A' ' 106' ' ' ARG . 3.9 m -73.69 -51.38 16.85 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.276 -0.42 . . . . 11.87 110.903 -179.781 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 111' ' ' ASN . . . . . 0.503 ' OD1' ' N ' ' A' ' 112' ' ' LEU . 20.7 p30 -78.78 -22.66 46.02 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.396 -0.365 . . . . 21.65 110.807 -179.806 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 112' ' ' LEU . . . . . 0.598 HD11 HD21 ' A' ' 39' ' ' LEU . 4.8 tp -50.07 -15.38 0.21 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.298 -0.41 . . . . 19.55 110.558 -179.926 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 113' ' ' GLY . . . . . 0.419 ' N ' ' C ' ' A' ' 111' ' ' ASN . . . 115.17 -3.79 22.25 Favored Glycine 0 CA--C 1.524 0.639 0 N-CA-C 110.919 -0.872 . . . . 19.66 110.919 179.984 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 114' ' ' GLU . . . . . 0.578 ' O ' ' O ' ' A' ' 109' ' ' MET . 1.4 tm-20 -124.21 120.08 31.23 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.788 0.328 . . . . 25.55 110.5 179.883 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 13.1 mmtp -78.78 117.5 19.96 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.318 -0.401 . . . . 23.26 110.535 -179.892 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 116' ' ' LEU . . . . . 0.667 ' CD2' ' N ' ' A' ' 116' ' ' LEU . 1.6 mm? -85.37 154.35 21.92 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.166 -0.47 . . . . 23.07 110.545 -179.972 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 117' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -91.94 148.76 21.96 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.221 -0.445 . . . . 19.41 110.57 179.988 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 118' ' ' ASP . . . . . 0.562 ' O ' ' OD1' ' A' ' 122' ' ' ASP . 1.0 OUTLIER -50.46 -38.76 45.46 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.185 -0.462 . . . . 18.08 110.498 -179.986 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 119' ' ' GLU . . . . . 0.585 ' OE1' ' N ' ' A' ' 119' ' ' GLU . 1.7 mp0 -75.85 -44.33 41.36 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.177 -0.465 . . . . 20.16 110.535 -179.97 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 120' ' ' GLU . . . . . . . . . . . . . 4.2 mm-40 -45.49 -56.29 5.23 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.233 -0.439 . . . . 14.19 110.531 -180.0 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 121' ' ' VAL . . . . . 0.521 HG21 ' HG3' ' A' ' 106' ' ' ARG . 14.7 t -65.65 -62.08 1.4 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.21 -0.45 . . . . 14.97 110.61 -180.0 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 122' ' ' ASP . . . . . 0.562 ' OD1' ' O ' ' A' ' 118' ' ' ASP . 3.6 m-20 -45.38 -22.73 0.15 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.188 -0.46 . . . . 20.12 110.608 179.941 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 123' ' ' GLU . . . . . 0.411 ' N ' ' C ' ' A' ' 121' ' ' VAL . 17.0 tp10 -75.87 -54.86 6.25 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.195 -0.457 . . . . 15.72 110.578 179.961 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 124' ' ' MET . . . . . . . . . . . . . 6.4 tpt -55.71 -55.36 33.16 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.212 -0.449 . . . . 9.75 110.54 -179.978 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 125' ' ' ILE . . . . . 0.441 ' O ' ' N ' ' A' ' 129' ' ' ASP . 26.6 mm -44.64 -55.8 0.95 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.205 -0.452 . . . . 11.99 110.546 -179.998 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 126' ' ' ARG . . . . . . . . . . . . . 8.2 ttt-85 -43.63 -35.38 1.75 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.196 -0.457 . . . . 27.23 110.58 179.972 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 127' ' ' GLU . . . . . . . . . . . . . 2.6 tm-20 -74.33 -54.57 7.39 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.197 -0.456 . . . . 15.5 110.582 179.997 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 128' ' ' ALA . . . . . 0.448 ' O ' ' OE1' ' A' ' 140' ' ' GLU . . . -65.83 -21.1 66.45 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.207 -0.452 . . . . 10.5 110.559 179.963 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 129' ' ' ASP . . . . . 0.441 ' N ' ' O ' ' A' ' 125' ' ' ILE . 0.6 OUTLIER -60.88 111.94 1.86 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.169 -0.469 . . . . 10.86 110.528 179.992 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 130' ' ' ILE . . . . . . . . . . . . . 3.1 mt -79.64 -50.31 18.17 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.258 -0.428 . . . . 12.26 110.572 179.812 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 131' ' ' ASP . . . . . 0.439 ' OD2' ' N ' ' A' ' 131' ' ' ASP . 0.0 OUTLIER -110.64 11.07 22.85 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.146 -0.479 . . . . 7.79 110.66 179.952 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 132' ' ' GLY . . . . . . . . . . . . . . . 64.94 54.14 29.82 Favored Glycine 0 CA--C 1.525 0.674 0 N-CA-C 110.873 -0.891 . . . . 3.93 110.873 -179.94 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 133' ' ' ASP . . . . . . . . . . . . . 2.3 m-20 -100.99 -30.21 11.76 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.739 0.304 . . . . 9.56 110.631 -179.97 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 134' ' ' GLY . . . . . . . . . . . . . . . 105.08 4.96 41.32 Favored Glycine 0 CA--C 1.525 0.681 0 N-CA-C 110.996 -0.842 . . . . 7.32 110.996 -179.955 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 135' ' ' GLN . . . . . . . . . . . . . 1.5 mt-30 -129.31 155.18 46.02 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.68 0.276 . . . . 22.05 110.486 179.967 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 136' ' ' VAL . . . . . . . . . . . . . 46.0 t -111.27 135.0 51.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.336 -0.393 . . . . 10.34 110.626 -179.916 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 137' ' ' ASN . . . . . 0.65 ' H ' ' CD ' ' A' ' 140' ' ' GLU . 0.2 OUTLIER -109.81 159.55 17.11 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.058 -0.519 . . . . 12.02 110.315 179.681 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 138' ' ' TYR . . . . . 0.529 ' CD2' ' C ' ' A' ' 138' ' ' TYR . 7.7 t80 -54.19 -30.87 51.28 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.829 0.347 . . . . 8.75 110.503 179.949 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 139' ' ' GLU . . . . . 0.485 ' OE2' ' CG ' ' A' ' 143' ' ' GLN . 1.5 tm-20 -66.23 -39.85 89.84 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.172 -0.467 . . . . 22.33 110.486 179.92 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 140' ' ' GLU . . . . . 0.65 ' CD ' ' H ' ' A' ' 137' ' ' ASN . 4.7 mt-10 -61.91 -43.33 99.06 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.206 -0.452 . . . . 13.45 110.441 -179.993 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 141' ' ' PHE . . . . . . . . . . . . . 0.6 OUTLIER -50.12 -42.02 49.79 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.22 -0.445 . . . . 8.25 110.483 179.954 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 142' ' ' VAL . . . . . . . . . . . . . 70.7 t -67.67 -38.2 79.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.155 -0.475 . . . . 10.15 110.558 179.971 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 143' ' ' GLN . . . . . 0.485 ' CG ' ' OE2' ' A' ' 139' ' ' GLU . 22.3 mm100 -52.32 -52.64 51.95 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.224 -0.443 . . . . 8.24 110.525 179.947 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 144' ' ' MET . . . . . . . . . . . . . 2.5 ttp -49.43 -40.58 37.15 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.192 -0.458 . . . . 6.68 110.572 -179.997 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 145' ' ' MET . . . . . 0.561 ' CG ' ' O ' ' A' ' 145' ' ' MET . 0.8 OUTLIER . . . . . 0 C--N 1.329 -0.319 0 CA-C-N 116.183 -0.462 . . . . 13.37 110.523 179.977 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 2.9 mm100 . . . . . 0 C--O 1.231 0.086 0 CA-C-O 120.81 0.338 . . . . 23.46 110.542 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 4' ' ' LEU . . . . . 0.722 HD23 HG12 ' A' ' 9' ' ' ILE . 5.2 tp -74.18 131.54 41.36 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.185 -0.462 . . . . 14.38 110.581 -179.987 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 5' ' ' THR . . . . . 0.419 HG23 ' H ' ' A' ' 5' ' ' THR . 2.3 p -74.3 147.64 42.13 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.214 -0.448 . . . . 7.34 110.545 -179.979 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 6' ' ' GLU . . . . . 0.621 ' CD ' ' H ' ' A' ' 6' ' ' GLU . 3.8 mp0 -54.69 -43.74 72.76 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.169 -0.469 . . . . 7.12 110.585 179.969 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 5.0 mt-10 -54.61 -34.76 62.55 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.196 -0.456 . . . . 6.85 110.555 -179.981 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 8' ' ' GLN . . . . . 0.463 ' OE1' ' N ' ' A' ' 8' ' ' GLN . 1.0 OUTLIER -79.09 -42.46 26.3 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.155 -0.475 . . . . 15.1 110.579 179.986 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 9' ' ' ILE . . . . . 0.722 HG12 HD23 ' A' ' 4' ' ' LEU . 92.0 mt -62.51 -35.31 69.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.214 -0.448 . . . . 4.72 110.544 -179.925 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -63.21 -59.52 4.64 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.23 -0.441 . . . . 6.68 110.573 -179.902 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 38.0 mt-10 -46.86 -30.22 2.39 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.19 -0.459 . . . . 18.49 110.63 -179.994 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 12' ' ' PHE . . . . . 0.457 ' HB3' HD21 ' A' ' 69' ' ' LEU . 4.9 m-85 -70.54 -44.59 67.18 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.233 -0.439 . . . . 14.89 110.611 -179.979 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 3.3 mtpt -46.82 -36.53 7.51 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.213 -0.449 . . . . 18.39 110.572 -179.975 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 48.6 tt0 -67.13 -38.3 85.34 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.223 -0.444 . . . . 22.76 110.527 179.994 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -55.24 -58.2 8.67 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.226 -0.443 . . . . 5.67 110.559 179.977 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 16' ' ' PHE . . . . . 0.467 ' CE2' ' HB2' ' A' ' 20' ' ' ASP . 1.8 t80 -45.29 -56.77 4.54 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.197 -0.456 . . . . 13.28 110.526 179.95 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -47.8 -21.44 0.4 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.185 -0.461 . . . . 12.16 110.554 179.923 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 11.5 tp -78.28 -37.97 43.73 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.158 -0.474 . . . . 17.89 110.569 -179.998 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 25.8 m-85 -90.07 -50.36 6.05 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.265 -0.425 . . . . 9.14 110.609 179.975 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 20' ' ' ASP . . . . . 0.467 ' HB2' ' CE2' ' A' ' 16' ' ' PHE . 7.7 t70 -83.68 79.82 9.33 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.209 -0.451 . . . . 7.47 110.571 -179.977 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 1.9 ptmm? -77.11 -19.61 56.74 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.167 -0.47 . . . . 27.75 110.648 -179.956 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 2.4 p30 -81.27 -15.3 55.92 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.24 -0.437 . . . . 14.13 110.661 -179.884 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 60.67 40.47 98.03 Favored Glycine 0 CA--C 1.525 0.699 0 N-CA-C 110.968 -0.853 . . . . 11.51 110.968 -179.993 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 24' ' ' ASP . . . . . 0.529 ' OD2' ' O ' ' A' ' 24' ' ' ASP . 1.8 t0 -86.57 -26.69 24.36 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 120.759 0.314 . . . . 14.28 110.622 -179.972 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 105.13 -3.92 41.07 Favored Glycine 0 CA--C 1.525 0.688 0 N-CA-C 110.893 -0.883 . . . . 9.47 110.893 -179.994 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 2.5 p -146.23 142.47 28.41 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.802 0.334 . . . . 16.41 110.538 179.958 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 27' ' ' ILE . . . . . 0.523 ' H ' ' HB ' ' A' ' 63' ' ' ILE . 35.4 mt -104.78 130.07 56.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.184 -0.462 . . . . 8.03 110.612 179.997 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 69.5 p -99.24 175.27 5.94 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.196 -0.456 . . . . 7.8 110.555 -179.946 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 29' ' ' THR . . . . . 0.633 ' HA ' HD11 ' A' ' 52' ' ' ILE . 9.0 m -77.21 -46.11 24.33 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.215 -0.448 . . . . 10.04 110.596 179.988 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 15.7 tptp -54.24 -30.84 51.69 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.18 -0.464 . . . . 16.38 110.555 -179.918 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 31' ' ' GLU . . . . . 0.697 ' O ' HG23 ' A' ' 35' ' ' VAL . 56.8 mt-10 -85.32 -32.67 22.36 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.225 -0.443 . . . . 5.59 110.55 179.972 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 1.1 tt -65.39 -59.84 3.6 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.188 -0.46 . . . . 7.72 110.599 -179.949 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -50.31 -52.77 26.62 Favored Glycine 0 CA--C 1.525 0.656 0 N-CA-C 110.993 -0.843 . . . . 6.93 110.993 179.992 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 22.5 m -44.51 -36.04 2.78 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.82 0.343 . . . . 9.63 110.593 179.965 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 35' ' ' VAL . . . . . 0.697 HG23 ' O ' ' A' ' 31' ' ' GLU . 58.8 t -69.4 -42.75 81.18 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.2 -0.454 . . . . 7.07 110.62 -179.965 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 36' ' ' MET . . . . . 0.492 ' O ' ' N ' ' A' ' 39' ' ' LEU . 0.0 OUTLIER -71.83 -54.05 11.37 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.2 -0.455 . . . . 10.12 110.54 179.976 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 7.3 ttp180 -47.99 -29.76 3.73 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.162 -0.472 . . . . 9.87 110.548 -179.965 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -84.62 -19.42 33.0 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.224 -0.443 . . . . 8.15 110.542 -179.987 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 39' ' ' LEU . . . . . 0.492 ' N ' ' O ' ' A' ' 36' ' ' MET . 14.2 mt -81.7 10.94 5.28 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.193 -0.458 . . . . 12.78 110.583 179.981 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 82.63 -0.16 89.56 Favored Glycine 0 CA--C 1.525 0.682 0 N-CA-C 110.94 -0.864 . . . . 9.6 110.94 179.991 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 3.9 tt0 -90.62 152.51 20.84 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.822 0.344 . . . . 20.35 110.582 -179.963 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 10.5 m120 -126.57 80.07 70.41 Favored Pre-proline 0 C--N 1.33 -0.265 0 CA-C-N 116.156 -0.474 . . . . 10.22 110.487 179.981 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 60.6 Cg_endo -78.32 137.63 15.18 Favored 'Trans proline' 0 C--N 1.306 -1.699 0 C-N-CA 122.822 2.348 . . . . 8.63 112.2 -179.901 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -80.02 168.98 18.49 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.105 -0.498 . . . . 4.83 110.546 179.946 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 37.3 mt-10 -60.47 -36.93 79.45 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.271 -0.422 . . . . 16.78 110.514 179.983 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -67.65 -23.07 65.3 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.216 -0.447 . . . . 4.8 110.525 -179.989 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 26.9 mt-10 -74.71 -57.94 3.6 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.204 -0.453 . . . . 6.18 110.534 -179.994 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 48' ' ' LEU . . . . . 0.486 HD13 ' HA ' ' A' ' 48' ' ' LEU . 3.7 mm? -51.37 -54.2 28.82 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.185 -0.462 . . . . 6.65 110.559 -179.999 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 26.3 mt-30 -52.82 -34.92 56.14 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.194 -0.457 . . . . 7.05 110.503 179.924 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 68.9 m-20 -73.22 -31.22 64.03 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.181 -0.463 . . . . 6.72 110.501 179.992 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 51' ' ' MET . . . . . 0.611 ' O ' HG22 ' A' ' 55' ' ' VAL . 5.5 tpt -78.08 -61.21 2.07 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.202 -0.454 . . . . 13.6 110.543 -179.99 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 52' ' ' ILE . . . . . 0.633 HD11 ' HA ' ' A' ' 29' ' ' THR . 6.1 mm -49.34 -52.25 11.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.168 -0.469 . . . . 8.71 110.533 179.971 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 14.0 t30 -57.33 -41.25 79.61 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.286 -0.416 . . . . 9.04 110.548 179.972 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 3.7 mm-40 -58.37 -49.84 75.79 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.179 -0.464 . . . . 23.58 110.744 -179.835 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 55' ' ' VAL . . . . . 0.611 HG22 ' O ' ' A' ' 51' ' ' MET . 0.0 OUTLIER -80.67 -0.31 4.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.268 -0.423 . . . . 7.6 110.695 -179.891 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 36.2 t0 -107.65 110.01 21.77 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.241 -0.436 . . . . 12.55 110.52 179.983 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -82.76 -44.65 15.34 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.146 -0.479 . . . . 15.13 110.58 -179.991 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 16.2 m-20 -76.65 -10.81 59.65 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.25 -0.432 . . . . 14.32 110.576 179.984 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 53.9 21.28 16.06 Favored Glycine 0 CA--C 1.524 0.645 0 N-CA-C 110.962 -0.855 . . . . 13.64 110.962 -179.972 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 60' ' ' ASP . . . . . 0.587 ' OD2' ' N ' ' A' ' 60' ' ' ASP . 7.6 p-10 -73.55 -20.76 60.55 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-O 120.839 0.352 . . . . 13.27 110.594 179.98 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 104.97 29.64 5.13 Favored Glycine 0 CA--C 1.524 0.638 0 N-CA-C 110.914 -0.875 . . . . 11.65 110.914 179.968 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 62' ' ' THR . . . . . 0.406 ' OG1' ' OD1' ' A' ' 60' ' ' ASP . 0.1 OUTLIER -149.21 150.73 33.09 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.826 0.346 . . . . 11.55 110.559 179.992 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 63' ' ' ILE . . . . . 0.551 HD12 ' HB ' ' A' ' 55' ' ' VAL . 46.4 mm -101.47 137.28 29.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.181 -0.463 . . . . 10.06 110.532 -179.956 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 64' ' ' ASP . . . . . 0.542 ' CG ' ' OE2' ' A' ' 67' ' ' GLU . 0.8 OUTLIER -113.4 -173.3 2.24 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.275 -0.42 . . . . 11.33 110.634 -179.934 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 65' ' ' PHE . . . . . 0.516 ' N ' ' HD2' ' A' ' 66' ' ' PRO . 0.3 OUTLIER -85.17 -46.72 0.64 Allowed Pre-proline 0 C--N 1.33 -0.244 0 CA-C-N 116.278 -0.419 . . . . 7.4 111.428 -179.624 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 66' ' ' PRO . . . . . 0.516 ' HD2' ' N ' ' A' ' 65' ' ' PHE . 56.1 Cg_endo -76.46 -24.77 10.29 Favored 'Trans proline' 0 C--N 1.31 -1.473 0 C-N-CA 122.295 1.997 . . . . 6.66 112.409 -179.466 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 67' ' ' GLU . . . . . 0.542 ' OE2' ' CG ' ' A' ' 64' ' ' ASP . 9.8 pt-20 -91.59 -19.68 22.47 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.392 -0.367 . . . . 7.44 110.453 179.896 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 68' ' ' PHE . . . . . 0.468 ' CB ' ' O ' ' A' ' 64' ' ' ASP . 36.0 t80 -82.9 -30.78 28.23 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.215 -0.448 . . . . 8.58 110.528 179.882 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 69' ' ' LEU . . . . . 0.516 HD12 ' O ' ' A' ' 65' ' ' PHE . 10.8 mt -83.73 -38.85 20.86 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.165 -0.47 . . . . 9.43 110.337 179.576 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 31.8 m -57.32 -52.82 63.8 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.051 -0.522 . . . . 7.53 110.595 -179.977 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 71' ' ' MET . . . . . 0.567 ' C ' ' SD ' ' A' ' 71' ' ' MET . 0.1 OUTLIER -47.97 -49.58 30.17 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.205 -0.452 . . . . 11.86 110.551 179.963 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 72' ' ' MET . . . . . . . . . . . . . 3.0 mmt -72.38 -46.29 56.0 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.192 -0.458 . . . . 22.32 110.551 179.985 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -56.34 -53.45 57.22 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.214 -0.448 . . . . 9.15 110.601 179.989 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 53.7 ttp180 -45.28 -39.7 6.82 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.233 -0.439 . . . . 13.8 110.525 -179.979 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 75' ' ' LYS . . . . . 0.55 ' O ' ' OD1' ' A' ' 78' ' ' ASP . 0.6 OUTLIER -50.97 -45.09 60.77 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.202 -0.453 . . . . 25.18 110.542 179.947 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 76' ' ' MET . . . . . . . . . . . . . 12.7 mtt -66.58 -21.41 66.14 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.169 -0.469 . . . . 34.79 110.542 -179.965 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 19.6 tttm -107.24 38.61 2.08 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.174 -0.467 . . . . 37.65 110.595 179.996 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 78' ' ' ASP . . . . . 0.55 ' OD1' ' O ' ' A' ' 75' ' ' LYS . 2.0 p-10 -160.65 -174.85 4.65 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.197 -0.456 . . . . 42.58 110.566 -179.976 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 23.6 p -72.16 162.87 28.85 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.162 -0.472 . . . . 38.4 110.549 -179.977 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -124.78 149.36 47.45 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.241 -0.436 . . . . 37.51 110.622 179.949 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 4.9 p -117.08 132.23 56.73 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.225 -0.443 . . . . 33.12 110.595 -179.997 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -71.07 -10.31 59.54 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.231 -0.441 . . . . 34.28 110.586 179.974 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 46.4 mt-10 -60.14 -53.84 53.01 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.186 -0.461 . . . . 30.91 110.575 -179.997 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 24.1 tt0 -65.39 -46.11 81.39 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.186 -0.461 . . . . 22.86 110.601 -179.986 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 85' ' ' ILE . . . . . . . . . . . . . 52.1 mt -52.65 -24.3 6.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.206 -0.452 . . . . 19.17 110.556 179.992 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 4.1 mmm180 -79.25 -51.38 9.54 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.169 -0.469 . . . . 26.85 110.54 -179.983 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 87' ' ' GLU . . . . . 0.59 ' O ' HG23 ' A' ' 91' ' ' VAL . 67.7 mm-40 -56.47 -62.46 1.71 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.254 -0.43 . . . . 16.48 110.556 -180.0 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 88' ' ' ALA . . . . . 0.472 ' O ' ' CD2' ' A' ' 92' ' ' PHE . . . -48.12 -36.72 13.85 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.198 -0.456 . . . . 9.91 110.521 179.972 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 50.3 t80 -70.58 -57.56 4.61 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.19 -0.459 . . . . 8.53 110.488 -179.964 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 11.7 mmm180 -57.18 -18.57 16.13 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.16 -0.473 . . . . 17.58 110.587 179.925 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 91' ' ' VAL . . . . . 0.59 HG23 ' O ' ' A' ' 87' ' ' GLU . 43.1 t -77.37 -17.87 14.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.155 -0.475 . . . . 7.82 110.658 -179.9 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 92' ' ' PHE . . . . . 0.472 ' CD2' ' O ' ' A' ' 88' ' ' ALA . 46.6 m-85 -95.36 -53.87 3.61 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.343 -0.39 . . . . 9.11 110.673 -179.882 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 93' ' ' ASP . . . . . 0.573 ' OD2' ' O ' ' A' ' 99' ' ' TYR . 3.3 t0 -76.24 68.74 2.69 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.267 -0.424 . . . . 11.11 110.703 -179.815 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 24.5 mtpp -50.17 -18.39 0.57 Allowed 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.194 -0.457 . . . . 14.57 110.968 -179.712 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -82.95 -15.4 51.44 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.879 0.371 . . . . 10.2 110.588 -179.935 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 60.4 42.04 98.77 Favored Glycine 0 CA--C 1.525 0.668 0 N-CA-C 110.977 -0.849 . . . . 6.24 110.977 -179.916 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 97' ' ' ASN . . . . . 0.549 ' CG ' ' CE2' ' A' ' 99' ' ' TYR . 0.2 OUTLIER -97.39 6.35 48.38 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.98 0.419 . . . . 7.56 110.374 179.847 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . 72.17 4.65 60.27 Favored Glycine 0 CA--C 1.524 0.646 0 N-CA-C 110.96 -0.856 . . . . 7.08 110.96 -179.976 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 99' ' ' TYR . . . . . 0.573 ' O ' ' OD2' ' A' ' 93' ' ' ASP . 11.8 p90 -154.46 150.23 27.62 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.851 0.357 . . . . 9.0 110.551 179.942 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 100' ' ' ILE . . . . . 0.548 ' N ' HD13 ' A' ' 100' ' ' ILE . 0.0 OUTLIER -119.66 128.36 75.89 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.199 -0.455 . . . . 9.29 110.561 -179.996 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 101' ' ' SER . . . . . 0.567 ' O ' ' N ' ' A' ' 104' ' ' GLU . 5.2 p -89.23 151.8 21.94 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.217 -0.447 . . . . 7.02 110.655 -179.976 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 102' ' ' ALA . . . . . 0.434 ' HB2' HD12 ' A' ' 125' ' ' ILE . . . -42.85 -19.4 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.112 -0.494 . . . . 6.41 110.597 -179.935 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 103' ' ' ALA . . . . . 0.513 ' N ' ' O ' ' A' ' 101' ' ' SER . . . -83.43 -31.83 26.41 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.263 -0.426 . . . . 5.01 110.608 -179.977 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 104' ' ' GLU . . . . . 0.567 ' N ' ' O ' ' A' ' 101' ' ' SER . 32.2 mt-10 -85.31 -54.35 4.65 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.193 -0.458 . . . . 6.84 110.632 -179.957 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 105' ' ' LEU . . . . . 0.407 ' HA ' HD12 ' A' ' 105' ' ' LEU . 44.7 tp -50.16 -51.09 46.49 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.204 -0.453 . . . . 4.99 110.646 -179.945 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 106' ' ' ARG . . . . . 0.572 ' HB2' HG11 ' A' ' 121' ' ' VAL . 63.5 ttt-85 -65.94 -42.45 90.0 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.269 -0.423 . . . . 15.24 110.65 -179.965 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 107' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -51.24 -42.99 61.39 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.18 -0.464 . . . . 15.69 110.626 179.977 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 108' ' ' VAL . . . . . . . . . . . . . 39.2 t -78.12 -58.31 4.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.232 -0.44 . . . . 12.28 110.638 -179.98 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 109' ' ' MET . . . . . . . . . . . . . 14.6 mtp -58.87 -15.06 10.8 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.202 -0.454 . . . . 9.53 110.658 -179.931 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 110' ' ' THR . . . . . 0.551 ' OG1' ' O ' ' A' ' 106' ' ' ARG . 12.8 m -80.43 -44.86 18.58 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.229 -0.441 . . . . 11.87 110.636 -179.912 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 111' ' ' ASN . . . . . . . . . . . . . 44.3 t30 -72.31 -9.81 58.97 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.237 -0.438 . . . . 21.65 110.576 -179.951 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -50.43 -21.73 1.59 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.191 -0.458 . . . . 19.55 110.507 -179.975 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . 115.4 -0.82 22.18 Favored Glycine 0 CA--C 1.524 0.651 0 N-CA-C 110.839 -0.904 . . . . 19.66 110.839 -179.826 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 20.8 tt0 -124.73 132.5 53.37 Favored 'General case' 0 C--N 1.33 -0.282 0 N-CA-C 110.216 -0.29 . . . . 25.55 110.216 179.609 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 49.3 mtpt -81.64 116.66 21.48 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.805 0.336 . . . . 23.26 110.615 -179.951 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 116' ' ' LEU . . . . . . . . . . . . . 2.5 mt -105.94 132.81 51.58 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.158 -0.474 . . . . 23.07 110.508 179.96 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 117' ' ' THR . . . . . 0.537 ' OG1' ' OE2' ' A' ' 120' ' ' GLU . 35.4 p -69.26 148.7 49.43 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.172 -0.467 . . . . 19.41 110.593 -179.941 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 118' ' ' ASP . . . . . . . . . . . . . 27.2 t70 -65.74 -52.39 51.54 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.217 -0.447 . . . . 18.08 110.494 -179.964 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 119' ' ' GLU . . . . . 0.45 ' O ' ' CB ' ' A' ' 123' ' ' GLU . 23.7 tt0 -44.88 -24.33 0.2 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.229 -0.441 . . . . 20.16 110.509 179.997 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 120' ' ' GLU . . . . . 0.537 ' OE2' ' OG1' ' A' ' 117' ' ' THR . 59.4 mt-10 -85.24 -50.41 7.39 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.168 -0.469 . . . . 14.19 110.539 179.91 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 121' ' ' VAL . . . . . 0.572 HG11 ' HB2' ' A' ' 106' ' ' ARG . 58.9 t -67.38 -60.83 2.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.227 -0.442 . . . . 14.97 110.569 179.978 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 122' ' ' ASP . . . . . 0.402 ' OD2' ' C ' ' A' ' 122' ' ' ASP . 49.2 t0 -49.7 -53.78 22.63 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.233 -0.439 . . . . 20.12 110.564 179.966 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 123' ' ' GLU . . . . . 0.663 ' O ' ' N ' ' A' ' 127' ' ' GLU . 24.6 tt0 -54.69 -52.58 61.96 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.209 -0.45 . . . . 15.72 110.595 179.989 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 124' ' ' MET . . . . . 0.557 ' O ' ' N ' ' A' ' 128' ' ' ALA . 11.4 tpt -46.26 -60.45 2.31 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.194 -0.457 . . . . 9.75 110.582 179.978 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 125' ' ' ILE . . . . . 0.434 HD12 ' HB2' ' A' ' 102' ' ' ALA . 92.7 mt -50.96 -53.14 15.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.206 -0.452 . . . . 11.99 110.546 -179.976 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 126' ' ' ARG . . . . . . . . . . . . . 2.9 tpt180 -71.13 -20.08 62.36 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.228 -0.442 . . . . 27.23 110.511 179.928 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 127' ' ' GLU . . . . . 0.663 ' N ' ' O ' ' A' ' 123' ' ' GLU . 1.6 tt0 -90.13 -21.89 22.02 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.127 -0.488 . . . . 15.5 110.515 -179.986 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 128' ' ' ALA . . . . . 0.557 ' N ' ' O ' ' A' ' 124' ' ' MET . . . -100.36 -34.5 9.95 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.148 -0.478 . . . . 10.5 110.512 179.871 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 129' ' ' ASP . . . . . 0.573 ' OD1' ' OE2' ' A' ' 140' ' ' GLU . 43.4 m-20 -60.79 98.94 0.08 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.155 -0.475 . . . . 10.86 110.646 -179.986 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 130' ' ' ILE . . . . . 0.543 HD13 ' OE1' ' A' ' 143' ' ' GLN . 1.4 mp -48.25 -26.35 1.29 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.351 0 CA-C-N 116.187 -0.46 . . . . 12.26 110.755 -179.684 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 131' ' ' ASP . . . . . 0.4 ' OD1' ' N ' ' A' ' 131' ' ' ASP . 2.5 p30 -104.21 -18.43 14.49 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.845 0.355 . . . . 7.79 110.559 179.915 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 132' ' ' GLY . . . . . 0.557 ' H ' ' HB3' ' A' ' 129' ' ' ASP . . . 64.11 67.49 2.03 Favored Glycine 0 CA--C 1.525 0.696 0 N-CA-C 110.926 -0.87 . . . . 3.93 110.926 179.991 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 133' ' ' ASP . . . . . . . . . . . . . 69.3 m-20 -100.94 3.16 41.44 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.731 0.3 . . . . 9.56 110.618 -179.924 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 134' ' ' GLY . . . . . . . . . . . . . . . 79.45 2.09 87.23 Favored Glycine 0 CA--C 1.525 0.659 0 N-CA-C 110.987 -0.845 . . . . 7.32 110.987 179.998 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 135' ' ' GLN . . . . . 0.572 ' O ' ' OD2' ' A' ' 129' ' ' ASP . 0.0 OUTLIER -149.22 167.31 26.36 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.777 0.323 . . . . 22.05 110.468 -179.99 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 136' ' ' VAL . . . . . . . . . . . . . 31.4 t -109.61 134.66 50.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.244 -0.434 . . . . 10.34 110.539 -179.983 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 137' ' ' ASN . . . . . 0.489 ' OD1' ' NE2' ' A' ' 135' ' ' GLN . 92.0 m-20 -109.91 159.49 17.2 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.195 -0.457 . . . . 12.02 110.361 179.63 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 138' ' ' TYR . . . . . . . . . . . . . 82.3 t80 -54.79 -36.43 64.91 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.418 -0.355 . . . . 8.75 110.472 179.953 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 139' ' ' GLU . . . . . . . . . . . . . 29.2 tt0 -61.07 -42.0 97.68 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.205 -0.452 . . . . 22.33 110.49 179.939 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 140' ' ' GLU . . . . . 0.573 ' OE2' ' OD1' ' A' ' 129' ' ' ASP . 83.6 mt-10 -64.52 -37.58 88.02 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.212 -0.449 . . . . 13.45 110.511 179.937 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 141' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -50.03 -38.05 35.91 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.141 -0.481 . . . . 8.25 110.424 -179.985 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 142' ' ' VAL . . . . . . . . . . . . . 84.0 t -77.74 -28.38 15.67 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.172 -0.467 . . . . 10.15 110.528 179.935 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 143' ' ' GLN . . . . . 0.543 ' OE1' HD13 ' A' ' 130' ' ' ILE . 33.2 mt-30 -63.75 -60.16 3.65 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.191 -0.459 . . . . 8.24 110.554 -179.986 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 144' ' ' MET . . . . . 0.511 ' SD ' ' O ' ' A' ' 144' ' ' MET . 0.0 OUTLIER -56.23 -24.73 44.18 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.261 -0.427 . . . . 6.68 110.542 179.94 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 145' ' ' MET . . . . . . . . . . . . . 12.2 ttt . . . . . 0 C--N 1.329 -0.303 0 CA-C-N 116.144 -0.48 . . . . 13.37 110.595 179.986 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER . . . . . 0 C--O 1.231 0.099 0 CA-C-O 120.822 0.344 . . . . 23.46 110.601 . . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 4' ' ' LEU . . . . . 0.843 HD22 ' N ' ' A' ' 4' ' ' LEU . 1.3 mm? -91.64 128.54 37.52 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.194 -0.457 . . . . 14.38 110.565 -179.954 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 5' ' ' THR . . . . . 0.567 ' OG1' ' OE1' ' A' ' 8' ' ' GLN . 1.5 p -77.61 169.33 18.49 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.13 -0.486 . . . . 7.34 110.443 179.869 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 2.8 mt-10 -47.06 -47.31 22.7 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.307 -0.406 . . . . 7.12 110.562 -179.992 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 7' ' ' GLU . . . . . 0.619 ' N ' ' OE2' ' A' ' 7' ' ' GLU . 2.0 mp0 -57.19 -30.76 64.79 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.148 -0.478 . . . . 6.85 110.607 179.974 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 8' ' ' GLN . . . . . 0.634 ' N ' ' CD ' ' A' ' 8' ' ' GLN . 1.5 mp0 -90.75 -56.84 3.03 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.184 -0.462 . . . . 15.1 110.603 -179.982 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 9' ' ' ILE . . . . . 0.802 HD11 ' O ' ' A' ' 4' ' ' LEU . 31.1 mt -45.69 -31.12 1.06 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.236 -0.438 . . . . 4.72 110.527 179.951 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -76.09 -52.2 10.65 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.156 -0.474 . . . . 6.68 110.536 179.942 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 12.1 tt0 -43.87 -52.2 6.96 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.163 -0.471 . . . . 18.49 110.64 -179.917 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 12' ' ' PHE . . . . . 0.766 ' CD2' HD21 ' A' ' 69' ' ' LEU . 48.6 m-85 -60.33 -50.15 74.77 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.342 -0.39 . . . . 14.89 110.519 -179.921 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 39.8 mttt -46.89 -37.66 9.21 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.292 -0.413 . . . . 18.39 110.526 179.995 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 6.8 tp10 -51.18 -50.83 58.23 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.199 -0.455 . . . . 22.76 110.563 179.911 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -45.86 -58.21 3.71 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.223 -0.444 . . . . 5.67 110.602 179.917 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 16' ' ' PHE . . . . . 0.685 ' CE2' ' OD1' ' A' ' 20' ' ' ASP . 22.0 t80 -57.14 -19.99 23.43 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.149 -0.478 . . . . 13.28 110.492 179.918 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 4.8 p -85.41 -21.22 28.9 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.137 -0.483 . . . . 12.16 110.562 179.945 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 1.9 mm? -90.65 -34.27 15.5 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.163 -0.471 . . . . 17.89 110.585 179.955 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 19' ' ' PHE . . . . . 0.414 ' O ' ' N ' ' A' ' 21' ' ' LYS . 28.2 m-85 -87.4 -50.14 6.76 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.186 -0.461 . . . . 9.14 110.632 -179.912 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 20' ' ' ASP . . . . . 0.685 ' OD1' ' CE2' ' A' ' 16' ' ' PHE . 3.8 t70 -68.08 68.38 0.12 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.226 -0.443 . . . . 7.47 110.581 -179.949 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 21' ' ' LYS . . . . . 0.414 ' N ' ' O ' ' A' ' 19' ' ' PHE . 1.1 ptmm? -75.1 -19.59 59.87 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.182 -0.463 . . . . 27.75 110.665 -179.972 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 22' ' ' ASP . . . . . 0.424 ' OD1' ' OE1' ' A' ' 31' ' ' GLU . 34.2 m-20 -88.28 -15.16 36.53 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.222 -0.445 . . . . 14.13 110.613 -179.932 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 55.53 32.85 58.44 Favored Glycine 0 CA--C 1.525 0.689 0 N-CA-C 110.915 -0.874 . . . . 11.51 110.915 179.997 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 24' ' ' ASP . . . . . 0.456 ' OD2' ' N ' ' A' ' 25' ' ' GLY . 37.4 p30 -76.34 -27.16 56.37 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 120.771 0.32 . . . . 14.28 110.573 -179.961 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 25' ' ' GLY . . . . . 0.456 ' N ' ' OD2' ' A' ' 24' ' ' ASP . . . 105.1 -4.19 41.27 Favored Glycine 0 CA--C 1.524 0.629 0 N-CA-C 110.918 -0.873 . . . . 9.47 110.918 -179.957 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 26' ' ' THR . . . . . 0.408 ' O ' ' OD1' ' A' ' 24' ' ' ASP . 41.9 p -148.69 136.81 20.97 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.782 0.325 . . . . 16.41 110.595 179.969 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 27' ' ' ILE . . . . . 0.662 ' HB ' HD12 ' A' ' 63' ' ' ILE . 0.6 OUTLIER -97.7 125.74 50.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.212 -0.449 . . . . 8.03 110.515 179.98 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 7.3 p -103.08 172.74 6.64 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.254 -0.43 . . . . 7.8 110.578 -179.922 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 29' ' ' THR . . . . . 0.695 HG22 HD23 ' A' ' 48' ' ' LEU . 6.2 m -75.89 -28.94 58.29 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.168 -0.469 . . . . 10.04 110.55 -179.987 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 19.8 tttm -70.51 -29.79 66.39 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.176 -0.465 . . . . 16.38 110.628 -179.983 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 31' ' ' GLU . . . . . 0.424 ' OE1' ' OD1' ' A' ' 22' ' ' ASP . 75.0 mt-10 -85.38 -30.88 23.27 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.205 -0.452 . . . . 5.59 110.549 -179.972 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 32' ' ' LEU . . . . . 0.489 HD22 ' HA ' ' A' ' 32' ' ' LEU . 0.2 OUTLIER -64.43 -59.9 3.8 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.198 -0.455 . . . . 7.72 110.604 180.0 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -50.92 -50.55 37.88 Favored Glycine 0 CA--C 1.524 0.651 0 N-CA-C 110.91 -0.876 . . . . 6.93 110.91 179.995 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 99.0 m -44.07 -42.54 6.25 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.836 0.35 . . . . 9.63 110.556 -179.995 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 84.7 t -63.88 -44.71 98.14 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.151 -0.477 . . . . 7.07 110.542 179.972 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 36' ' ' MET . . . . . . . . . . . . . 5.2 mmt -66.09 -29.87 70.28 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.149 -0.478 . . . . 10.12 110.51 179.984 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 37' ' ' ARG . . . . . 0.437 HH11 ' HD2' ' A' ' 43' ' ' PRO . 14.6 tpp85 -63.2 -25.62 68.42 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.15 -0.477 . . . . 9.87 110.529 179.999 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 3.6 m -83.36 -19.16 36.61 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.179 -0.464 . . . . 8.15 110.504 179.948 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 21.1 mt -91.07 15.15 12.19 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.168 -0.469 . . . . 12.78 110.528 179.927 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 68.91 25.06 75.57 Favored Glycine 0 CA--C 1.525 0.665 0 N-CA-C 110.897 -0.881 . . . . 9.6 110.897 179.974 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 5.3 mm-40 -102.96 152.3 21.47 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.775 0.321 . . . . 20.35 110.581 -179.989 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 20.0 m120 -126.47 79.98 70.13 Favored Pre-proline 0 C--N 1.328 -0.336 0 CA-C-N 116.152 -0.476 . . . . 10.22 110.531 -179.997 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 43' ' ' PRO . . . . . 0.437 ' HD2' HH11 ' A' ' 37' ' ' ARG . 59.7 Cg_endo -77.93 141.45 19.0 Favored 'Trans proline' 0 C--N 1.306 -1.705 0 C-N-CA 122.715 2.277 . . . . 8.63 112.21 -179.944 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 44.3 p -96.78 151.1 19.97 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.176 -0.466 . . . . 4.83 110.59 179.997 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 45.9 tt0 -48.44 -43.33 34.31 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.206 -0.452 . . . . 16.78 110.576 179.968 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -68.27 -38.07 81.35 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.189 -0.46 . . . . 4.8 110.577 179.997 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 47' ' ' GLU . . . . . 0.53 ' C ' ' OE1' ' A' ' 47' ' ' GLU . 0.1 OUTLIER -70.69 -60.81 2.04 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.173 -0.467 . . . . 6.18 110.545 -179.982 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 48' ' ' LEU . . . . . 0.695 HD23 HG22 ' A' ' 29' ' ' THR . 14.9 tp -50.94 -20.71 1.42 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.221 -0.445 . . . . 6.65 110.601 -179.978 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 5.4 tp60 -68.33 -50.78 51.0 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.163 -0.471 . . . . 7.05 110.553 179.982 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 20.9 t0 -52.01 -31.66 30.6 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.192 -0.458 . . . . 6.72 110.571 179.967 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 51' ' ' MET . . . . . . . . . . . . . 6.1 tpt -72.31 -59.47 2.72 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.199 -0.455 . . . . 13.6 110.563 179.944 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 52' ' ' ILE . . . . . 0.614 ' O ' ' N ' ' A' ' 56' ' ' ASP . 4.7 mm -48.95 -44.33 15.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.185 -0.461 . . . . 8.71 110.552 179.995 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 6.9 m-20 -61.67 -44.3 97.21 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.245 -0.434 . . . . 9.04 110.529 179.968 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -51.2 -46.28 62.13 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.235 -0.439 . . . . 23.58 110.56 -179.931 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 55' ' ' VAL . . . . . 0.432 HG21 HD13 ' A' ' 63' ' ' ILE . 1.1 m -93.18 -21.77 5.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.225 -0.443 . . . . 7.6 110.565 179.999 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 56' ' ' ASP . . . . . 0.614 ' N ' ' O ' ' A' ' 52' ' ' ILE . 38.3 t0 -107.62 82.42 1.66 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.186 -0.461 . . . . 12.55 110.587 179.931 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -77.14 -24.87 51.57 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.179 -0.464 . . . . 15.13 110.594 -179.995 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 58' ' ' ASP . . . . . 0.54 ' OD2' ' OE1' ' A' ' 67' ' ' GLU . 0.8 OUTLIER -80.64 -11.01 59.7 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.219 -0.446 . . . . 14.32 110.609 179.988 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 44.09 20.17 0.16 Allowed Glycine 0 CA--C 1.525 0.661 0 N-CA-C 110.932 -0.867 . . . . 13.64 110.932 179.969 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 60' ' ' ASP . . . . . 0.463 ' OD2' ' N ' ' A' ' 60' ' ' ASP . 22.9 p-10 -61.3 -8.21 3.61 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.784 0.326 . . . . 13.27 110.581 179.983 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 99.71 -10.07 60.63 Favored Glycine 0 CA--C 1.524 0.629 0 N-CA-C 110.973 -0.851 . . . . 11.65 110.973 -179.988 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -127.95 169.39 14.04 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.772 0.32 . . . . 11.55 110.621 179.979 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 63' ' ' ILE . . . . . 0.662 HD12 ' HB ' ' A' ' 27' ' ' ILE . 74.6 mt -120.58 109.3 25.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.24 -0.436 . . . . 10.06 110.606 -179.97 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 64' ' ' ASP . . . . . 0.659 ' OD2' ' N ' ' A' ' 64' ' ' ASP . 0.0 OUTLIER -78.69 145.67 34.42 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.165 -0.471 . . . . 11.33 110.334 179.904 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 65' ' ' PHE . . . . . 0.625 ' N ' ' CD ' ' A' ' 66' ' ' PRO . 0.2 OUTLIER -64.77 -39.38 38.58 Favored Pre-proline 0 C--N 1.33 -0.248 0 CA-C-N 116.496 -0.32 . . . . 7.4 110.971 -179.668 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 66' ' ' PRO . . . . . 0.625 ' CD ' ' N ' ' A' ' 65' ' ' PHE . 51.3 Cg_exo -51.21 -44.58 42.02 Favored 'Trans proline' 0 C--N 1.309 -1.512 0 C-N-CA 122.276 1.984 . . . . 6.66 111.749 179.758 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 67' ' ' GLU . . . . . 0.553 ' OE2' ' OD2' ' A' ' 64' ' ' ASP . 6.0 mt-10 -81.37 -16.57 51.87 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.055 -0.521 . . . . 7.44 110.411 179.84 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 68' ' ' PHE . . . . . . . . . . . . . 20.9 t80 -71.11 -25.42 62.58 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.135 -0.484 . . . . 8.58 110.504 179.863 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 69' ' ' LEU . . . . . 0.766 HD21 ' CD2' ' A' ' 12' ' ' PHE . 0.5 OUTLIER -83.41 -40.49 19.29 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.141 -0.481 . . . . 9.43 110.488 179.708 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 70' ' ' THR . . . . . 0.436 ' CG2' ' N ' ' A' ' 71' ' ' MET . 0.7 OUTLIER -68.47 -37.05 79.8 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.241 -0.436 . . . . 7.53 110.539 -179.832 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 71' ' ' MET . . . . . 0.621 ' C ' ' SD ' ' A' ' 71' ' ' MET . 0.0 OUTLIER -60.94 -34.72 75.15 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.215 -0.448 . . . . 11.86 110.451 179.92 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 72' ' ' MET . . . . . 0.431 ' N ' ' HG3' ' A' ' 71' ' ' MET . 0.5 OUTLIER -81.83 -48.8 11.13 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.161 -0.472 . . . . 22.32 110.555 179.943 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -61.66 -55.84 26.16 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.194 -0.457 . . . . 9.15 110.52 -179.982 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 37.5 ttm180 -46.59 -40.68 13.27 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.258 -0.428 . . . . 13.8 110.565 -179.984 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 4.2 tppt? -51.2 -50.61 58.74 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.218 -0.446 . . . . 25.18 110.563 179.994 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 76' ' ' MET . . . . . . . . . . . . . 11.3 mtp -59.12 -27.56 65.72 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.174 -0.466 . . . . 34.79 110.618 -179.975 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 18.4 mmtp -94.32 39.95 1.09 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.172 -0.467 . . . . 37.65 110.615 -179.941 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 5.2 m-20 -157.41 174.98 14.59 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.184 -0.462 . . . . 42.58 110.542 -179.98 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 6.2 t -72.2 158.96 34.91 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.166 -0.47 . . . . 38.4 110.551 179.986 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 4.8 p-10 -130.56 157.46 42.64 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.236 -0.438 . . . . 37.51 110.578 -179.993 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -113.41 128.11 56.34 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.155 -0.475 . . . . 33.12 110.542 -179.972 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 16.4 pt-20 -55.69 -10.41 0.7 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.205 -0.452 . . . . 34.28 110.597 179.966 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 43.9 mm-40 -60.64 -60.42 3.83 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.197 -0.456 . . . . 30.91 110.615 179.976 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 84' ' ' GLU . . . . . 0.739 ' OE1' ' HB2' ' A' ' 88' ' ' ALA . 2.9 tm-20 -47.46 -57.45 5.33 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.202 -0.454 . . . . 22.86 110.578 -179.938 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 85' ' ' ILE . . . . . . . . . . . . . 3.7 mt -42.98 -26.46 0.19 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.232 -0.44 . . . . 19.17 110.554 -179.957 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 4.2 tpp180 -83.34 -52.07 6.87 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.241 -0.436 . . . . 26.85 110.551 179.963 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 87' ' ' GLU . . . . . 0.951 ' O ' HG23 ' A' ' 91' ' ' VAL . 1.4 tt0 -66.65 -48.18 70.22 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.181 -0.463 . . . . 16.48 110.546 179.97 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 88' ' ' ALA . . . . . 0.739 ' HB2' ' OE1' ' A' ' 84' ' ' GLU . . . -55.71 -46.18 77.74 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.156 -0.474 . . . . 9.91 110.528 -179.999 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 30.7 t80 -74.23 -51.95 13.85 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.154 -0.475 . . . . 8.53 110.563 179.975 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 71.2 ttt180 -58.35 -18.64 29.06 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.137 -0.483 . . . . 17.58 110.627 179.952 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 91' ' ' VAL . . . . . 0.951 HG23 ' O ' ' A' ' 87' ' ' GLU . 4.6 t -68.39 -32.36 55.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.189 -0.46 . . . . 7.82 110.652 -179.975 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 92' ' ' PHE . . . . . 0.682 ' CD1' HG11 ' A' ' 108' ' ' VAL . 40.0 m-85 -94.47 -21.7 18.73 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.278 -0.419 . . . . 9.11 110.692 -179.955 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 93' ' ' ASP . . . . . 0.574 ' OD1' ' OD1' ' A' ' 97' ' ' ASN . 3.0 t70 -99.12 68.57 1.68 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.292 -0.413 . . . . 11.11 110.668 -179.927 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -49.11 -18.56 0.33 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.121 -0.49 . . . . 14.57 110.928 -179.699 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . 22.0 m-20 -75.43 -12.38 60.23 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.812 0.339 . . . . 10.2 110.662 -179.85 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 60.05 9.67 11.87 Favored Glycine 0 CA--C 1.525 0.664 0 N-CA-C 111.041 -0.824 . . . . 6.24 111.041 179.95 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 97' ' ' ASN . . . . . 0.783 ' ND2' ' CE1' ' A' ' 99' ' ' TYR . 19.7 p30 -76.83 -26.86 54.81 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.847 0.355 . . . . 7.56 110.483 179.859 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 98' ' ' GLY . . . . . 0.482 ' N ' ' OD1' ' A' ' 97' ' ' ASN . . . 92.58 30.25 9.99 Favored Glycine 0 CA--C 1.525 0.686 0 N-CA-C 111.28 -0.728 . . . . 7.08 111.28 179.661 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 99' ' ' TYR . . . . . 0.783 ' CE1' ' ND2' ' A' ' 97' ' ' ASN . 0.6 OUTLIER -153.8 135.15 14.16 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.824 0.345 . . . . 9.0 110.69 179.803 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 0.8 OUTLIER -122.09 120.21 60.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.107 -0.497 . . . . 9.29 110.425 179.85 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 10.8 m -85.17 151.47 24.08 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.312 -0.403 . . . . 7.02 110.753 -179.808 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -42.91 -34.34 0.95 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.085 -0.507 . . . . 6.41 110.584 -179.978 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -62.89 -60.05 4.0 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.273 -0.421 . . . . 5.01 110.573 179.984 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 40.4 mt-10 -57.5 -45.79 84.5 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.187 -0.46 . . . . 6.84 110.561 179.969 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 105' ' ' LEU . . . . . 0.481 HD13 ' O ' ' A' ' 105' ' ' LEU . 0.2 OUTLIER -47.76 -51.22 23.1 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.173 -0.467 . . . . 4.99 110.548 179.976 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 106' ' ' ARG . . . . . 0.709 ' HG3' HG11 ' A' ' 121' ' ' VAL . 35.8 mtp85 -65.19 -23.85 67.21 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.217 -0.447 . . . . 15.24 110.554 179.971 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 107' ' ' HIS . . . . . . . . . . . . . 2.8 t60 -69.3 -38.82 78.46 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.185 -0.461 . . . . 15.69 110.495 -179.958 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 108' ' ' VAL . . . . . 0.682 HG11 ' CD1' ' A' ' 92' ' ' PHE . 4.0 t -79.22 -50.67 17.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.159 -0.473 . . . . 12.28 110.568 -179.988 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 109' ' ' MET . . . . . . . . . . . . . 41.5 mtt -64.73 -18.65 65.22 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.205 -0.452 . . . . 9.53 110.582 -179.931 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 110' ' ' THR . . . . . 0.542 ' OG1' ' O ' ' A' ' 106' ' ' ARG . 1.7 m -74.72 -46.07 39.95 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.294 -0.412 . . . . 11.87 110.612 -179.941 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 111' ' ' ASN . . . . . . . . . . . . . 6.8 t-20 -77.05 -9.81 58.96 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.237 -0.438 . . . . 21.65 110.524 179.977 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 112' ' ' LEU . . . . . 0.45 HD22 ' HA ' ' A' ' 112' ' ' LEU . 0.2 OUTLIER -56.83 -26.08 57.44 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.178 -0.464 . . . . 19.55 110.487 179.964 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . 115.4 -2.85 22.06 Favored Glycine 0 CA--C 1.525 0.713 0 N-CA-C 110.868 -0.893 . . . . 19.66 110.868 -179.857 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 24.2 mt-10 -124.13 124.69 43.05 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.746 0.307 . . . . 25.55 110.407 179.934 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -79.1 117.48 20.18 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.303 -0.408 . . . . 23.26 110.678 -179.993 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 116' ' ' LEU . . . . . . . . . . . . . 2.5 mt -111.32 134.9 52.57 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.165 -0.47 . . . . 23.07 110.517 179.973 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 117' ' ' THR . . . . . . . . . . . . . 3.0 m -69.35 156.05 39.43 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.186 -0.461 . . . . 19.41 110.568 -179.984 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 118' ' ' ASP . . . . . 0.464 ' OD2' ' N ' ' A' ' 118' ' ' ASP . 0.4 OUTLIER -67.27 -56.7 8.74 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.203 -0.453 . . . . 18.08 110.591 179.997 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 119' ' ' GLU . . . . . 0.478 ' O ' ' CG ' ' A' ' 123' ' ' GLU . 7.3 mt-10 -52.01 -20.32 2.35 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.162 -0.472 . . . . 20.16 110.531 179.971 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 120' ' ' GLU . . . . . . . . . . . . . 4.1 tm-20 -85.22 -39.12 18.14 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.198 -0.455 . . . . 14.19 110.566 -179.989 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 121' ' ' VAL . . . . . 0.709 HG11 ' HG3' ' A' ' 106' ' ' ARG . 44.5 t -81.82 -38.18 15.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.219 -0.446 . . . . 14.97 110.568 -179.958 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 122' ' ' ASP . . . . . . . . . . . . . 19.2 t70 -68.88 -55.73 10.15 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.175 -0.466 . . . . 20.12 110.602 179.965 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 123' ' ' GLU . . . . . 0.478 ' CG ' ' O ' ' A' ' 119' ' ' GLU . 15.1 mm-40 -55.69 -31.92 62.83 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.229 -0.441 . . . . 15.72 110.595 179.998 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 124' ' ' MET . . . . . . . . . . . . . 12.7 ttt -71.45 -62.04 1.55 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.204 -0.453 . . . . 9.75 110.58 179.95 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 125' ' ' ILE . . . . . 0.581 ' CG2' ' N ' ' A' ' 126' ' ' ARG . 9.0 tt -60.32 -44.99 97.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.229 -0.442 . . . . 11.99 110.561 -179.975 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 126' ' ' ARG . . . . . 0.581 ' N ' ' CG2' ' A' ' 125' ' ' ILE . 47.6 ttp180 -58.73 -19.43 40.14 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.197 -0.456 . . . . 27.23 110.574 179.977 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 127' ' ' GLU . . . . . . . . . . . . . 3.4 tp10 -75.81 -56.67 4.45 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.159 -0.473 . . . . 15.5 110.551 -179.942 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 128' ' ' ALA . . . . . . . . . . . . . . . -78.08 -0.71 29.13 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.22 -0.446 . . . . 10.5 110.584 -179.973 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 129' ' ' ASP . . . . . 0.56 ' OD1' ' N ' ' A' ' 132' ' ' GLY . 62.2 t0 -73.12 92.73 1.73 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.208 -0.451 . . . . 10.86 110.595 179.935 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 130' ' ' ILE . . . . . 0.443 ' H ' HG13 ' A' ' 130' ' ' ILE . 52.0 mt -49.69 -47.22 21.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.208 -0.451 . . . . 12.26 110.604 179.996 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 131' ' ' ASP . . . . . 0.643 ' N ' ' OD1' ' A' ' 131' ' ' ASP . 0.0 OUTLIER -77.86 -17.76 57.0 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.226 -0.443 . . . . 7.79 110.586 179.975 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 132' ' ' GLY . . . . . 0.56 ' N ' ' OD1' ' A' ' 129' ' ' ASP . . . 53.44 44.33 66.63 Favored Glycine 0 CA--C 1.525 0.665 0 N-CA-C 110.923 -0.871 . . . . 3.93 110.923 -179.998 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 133' ' ' ASP . . . . . 0.485 ' N ' ' OD2' ' A' ' 129' ' ' ASP . 9.2 m-20 -100.93 -2.06 32.89 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.794 0.331 . . . . 9.56 110.557 179.98 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 134' ' ' GLY . . . . . . . . . . . . . . . 98.19 5.87 57.01 Favored Glycine 0 CA--C 1.524 0.645 0 N-CA-C 110.978 -0.849 . . . . 7.32 110.978 -179.956 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 135' ' ' GLN . . . . . . . . . . . . . 3.7 pt20 -145.48 164.4 31.72 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.803 0.335 . . . . 22.05 110.565 179.981 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 136' ' ' VAL . . . . . 0.485 HG23 HG12 ' A' ' 125' ' ' ILE . 55.1 t -122.4 100.78 8.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.226 -0.443 . . . . 10.34 110.608 -179.993 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 137' ' ' ASN . . . . . . . . . . . . . 71.9 m-20 -68.7 159.9 31.3 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.186 -0.461 . . . . 12.02 110.485 -179.979 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 138' ' ' TYR . . . . . 0.568 ' CD2' ' C ' ' A' ' 138' ' ' TYR . 6.4 t80 -52.11 -39.87 60.45 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.172 -0.467 . . . . 8.75 110.583 179.999 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 139' ' ' GLU . . . . . . . . . . . . . 18.2 mm-40 -53.81 -43.91 69.74 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.192 -0.458 . . . . 22.33 110.542 179.953 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 140' ' ' GLU . . . . . . . . . . . . . 1.3 mt-10 -62.79 -33.55 75.43 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.222 -0.445 . . . . 13.45 110.483 179.965 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 141' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER -52.9 -42.52 65.41 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.139 -0.482 . . . . 8.25 110.498 179.976 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 142' ' ' VAL . . . . . . . . . . . . . 79.3 t -60.68 -35.36 63.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.174 -0.466 . . . . 10.15 110.522 -179.977 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 143' ' ' GLN . . . . . 0.416 ' HG2' HD11 ' A' ' 130' ' ' ILE . 8.0 tp-100 -52.23 -54.94 24.8 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.213 -0.449 . . . . 8.24 110.518 -179.976 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 144' ' ' MET . . . . . . . . . . . . . 0.3 OUTLIER -49.85 -34.7 20.75 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.242 -0.435 . . . . 6.68 110.502 -179.982 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 145' ' ' MET . . . . . . . . . . . . . 1.5 ttt . . . . . 0 C--N 1.329 -0.291 0 CA-C-N 116.196 -0.457 . . . . 13.37 110.527 -179.994 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 21.0 mt-30 . . . . . 0 C--O 1.231 0.111 0 CA-C-O 120.795 0.331 . . . . 23.46 110.606 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -79.3 159.54 27.18 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.229 -0.441 . . . . 14.38 110.55 179.979 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 5' ' ' THR . . . . . 0.522 ' OG1' ' NE2' ' A' ' 8' ' ' GLN . 14.1 p -107.01 157.54 17.73 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.202 -0.454 . . . . 7.34 110.56 -179.994 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 30.0 mt-10 -49.97 -49.98 48.49 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.203 -0.453 . . . . 7.12 110.606 179.979 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 7' ' ' GLU . . . . . 0.534 ' C ' ' OE1' ' A' ' 8' ' ' GLN . 9.3 mm-40 -52.59 -28.9 23.05 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.173 -0.467 . . . . 6.85 110.586 179.946 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 8' ' ' GLN . . . . . 0.579 ' OE1' ' N ' ' A' ' 8' ' ' GLN . 0.9 OUTLIER -90.66 -52.82 4.69 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.192 -0.458 . . . . 15.1 110.598 179.977 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 71.0 mt -52.21 -30.17 13.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.185 -0.461 . . . . 4.72 110.56 -179.998 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -72.45 -56.02 6.08 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.189 -0.459 . . . . 6.68 110.541 179.982 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 21.4 mm-40 -43.92 -46.49 8.14 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.21 -0.45 . . . . 18.49 110.626 -179.891 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 12' ' ' PHE . . . . . 0.814 ' CD2' HD21 ' A' ' 69' ' ' LEU . 58.8 m-85 -62.35 -49.45 75.53 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.378 -0.374 . . . . 14.89 110.54 -179.991 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 30.6 mtpt -46.81 -38.62 10.47 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.229 -0.441 . . . . 18.39 110.47 179.957 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 13.2 tt0 -52.89 -39.5 62.75 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.149 -0.478 . . . . 22.76 110.488 179.934 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -57.77 -58.34 8.8 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.19 -0.459 . . . . 5.67 110.542 179.904 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 16' ' ' PHE . . . . . 0.446 ' CZ ' HD12 ' A' ' 27' ' ' ILE . 0.8 OUTLIER -55.22 -20.02 9.62 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.212 -0.449 . . . . 13.28 110.516 179.937 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 3.1 t -85.53 -21.14 28.74 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.098 -0.501 . . . . 12.16 110.45 179.869 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 2.0 mm? -90.65 -36.75 14.2 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.109 -0.496 . . . . 17.89 110.55 -179.993 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 19' ' ' PHE . . . . . 0.596 ' CE1' HG11 ' A' ' 35' ' ' VAL . 48.0 m-85 -83.83 -50.25 8.28 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.226 -0.443 . . . . 9.14 110.669 -179.939 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 23.3 t0 -68.23 68.04 0.12 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.273 -0.421 . . . . 7.47 110.582 -179.986 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 1.5 tptp -66.46 -19.61 65.84 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.156 -0.474 . . . . 27.75 110.657 -179.935 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 22' ' ' ASP . . . . . 0.568 ' OD1' ' OE1' ' A' ' 31' ' ' GLU . 6.6 m-20 -88.96 -15.24 34.73 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.302 -0.408 . . . . 14.13 110.61 -179.919 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 58.58 33.03 70.34 Favored Glycine 0 CA--C 1.525 0.693 0 N-CA-C 110.913 -0.875 . . . . 11.51 110.913 -179.995 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 22.9 p-10 -83.34 -30.16 27.7 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.808 0.337 . . . . 14.28 110.664 179.976 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 105.13 6.8 39.03 Favored Glycine 0 CA--C 1.525 0.691 0 N-CA-C 110.932 -0.867 . . . . 9.47 110.932 -179.996 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 1.8 p -148.68 136.85 21.0 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.797 0.332 . . . . 16.41 110.563 179.936 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 27' ' ' ILE . . . . . 0.451 ' H ' ' HB ' ' A' ' 63' ' ' ILE . 5.0 mt -109.91 130.21 63.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.218 -0.446 . . . . 8.03 110.516 179.984 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 12.6 p -109.4 175.3 5.5 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.13 -0.487 . . . . 7.8 110.576 -179.991 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -70.17 -19.92 63.17 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.221 -0.445 . . . . 10.04 110.611 -179.994 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 2.4 ttmm -76.12 -38.65 56.58 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.196 -0.456 . . . . 16.38 110.609 -179.973 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 31' ' ' GLU . . . . . 0.568 ' OE1' ' OD1' ' A' ' 22' ' ' ASP . 16.4 mt-10 -79.93 -31.62 40.08 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.238 -0.437 . . . . 5.59 110.479 -179.99 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 3.8 tp -64.31 -58.92 5.12 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.15 -0.477 . . . . 7.72 110.548 -179.968 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -44.08 -46.54 8.01 Favored Glycine 0 CA--C 1.524 0.612 0 N-CA-C 110.896 -0.882 . . . . 6.93 110.896 179.941 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 4.9 m -50.14 -40.7 47.11 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.801 0.334 . . . . 9.63 110.51 179.967 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 35' ' ' VAL . . . . . 0.596 HG11 ' CE1' ' A' ' 19' ' ' PHE . 94.7 t -60.36 -51.31 74.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.192 -0.458 . . . . 7.07 110.523 179.959 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 36' ' ' MET . . . . . . . . . . . . . 6.3 mmt -58.02 -26.09 61.99 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.204 -0.453 . . . . 10.12 110.494 179.985 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 8.2 mtt180 -69.5 -22.58 63.6 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.172 -0.467 . . . . 9.87 110.522 -179.99 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 1.1 t -79.98 -27.63 39.65 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.157 -0.474 . . . . 8.15 110.486 179.989 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 13.1 mt -92.54 15.09 14.97 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.184 -0.462 . . . . 12.78 110.56 179.978 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 62.09 26.23 67.25 Favored Glycine 0 CA--C 1.524 0.64 0 N-CA-C 110.929 -0.869 . . . . 9.6 110.929 -179.969 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 7.7 mt-30 -95.06 151.26 19.34 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.796 0.331 . . . . 20.35 110.631 179.981 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 10.4 m120 -134.56 80.0 52.14 Favored Pre-proline 0 C--N 1.328 -0.326 0 CA-C-N 116.173 -0.467 . . . . 10.22 110.529 179.988 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 60.3 Cg_endo -78.1 152.08 27.53 Favored 'Trans proline' 0 C--N 1.305 -1.713 0 C-N-CA 122.771 2.314 . . . . 8.63 112.24 -179.954 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -87.94 164.29 15.91 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.178 -0.465 . . . . 4.83 110.598 179.98 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 14.2 mt-10 -53.75 -51.58 62.91 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.229 -0.441 . . . . 16.78 110.598 179.945 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -52.66 -36.36 56.74 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.148 -0.478 . . . . 4.8 110.519 -179.989 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 2.5 tp10 -74.29 -56.02 5.36 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.233 -0.439 . . . . 6.18 110.522 -179.959 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 48' ' ' LEU . . . . . 0.504 ' HA ' HD23 ' A' ' 48' ' ' LEU . 19.9 mt -50.11 -37.22 33.07 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.17 -0.468 . . . . 6.65 110.553 -179.969 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 55.6 mt-30 -76.36 -50.79 13.31 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.214 -0.448 . . . . 7.05 110.519 -179.996 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 26.4 t0 -53.34 -29.63 35.11 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.227 -0.442 . . . . 6.72 110.538 179.97 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 51' ' ' MET . . . . . . . . . . . . . 7.2 mmt -73.33 -55.73 6.01 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.178 -0.464 . . . . 13.6 110.539 -179.995 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 52' ' ' ILE . . . . . 0.838 ' CD1' HD11 ' A' ' 63' ' ' ILE . 4.5 mm -49.63 -45.24 20.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.173 -0.467 . . . . 8.71 110.497 179.968 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 55.1 t-20 -50.61 -51.41 48.92 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.23 -0.441 . . . . 9.04 110.544 179.998 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 39.3 mt-10 -51.21 -30.11 16.17 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.176 -0.466 . . . . 23.58 110.587 179.998 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 55' ' ' VAL . . . . . 0.415 HG12 HG23 ' A' ' 63' ' ' ILE . 2.4 t -95.0 -26.64 4.32 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.179 -0.464 . . . . 7.6 110.557 -179.994 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 56' ' ' ASP . . . . . 0.597 ' OD1' ' N ' ' A' ' 59' ' ' GLY . 7.5 t0 -107.58 80.41 1.39 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.209 -0.45 . . . . 12.55 110.554 -179.995 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -69.26 -19.15 63.93 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.159 -0.473 . . . . 15.13 110.547 179.962 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -103.81 -4.66 23.3 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.228 -0.442 . . . . 14.32 110.582 -179.975 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 59' ' ' GLY . . . . . 0.597 ' N ' ' OD1' ' A' ' 56' ' ' ASP . . . 44.95 31.07 2.66 Favored Glycine 0 CA--C 1.524 0.63 0 N-CA-C 110.987 -0.845 . . . . 13.64 110.987 -179.98 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -59.26 -10.7 3.16 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.78 0.324 . . . . 13.27 110.562 -179.968 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 105.74 -10.07 44.84 Favored Glycine 0 CA--C 1.525 0.716 0 N-CA-C 110.889 -0.884 . . . . 11.65 110.889 179.952 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 62' ' ' THR . . . . . 0.52 ' O ' ' OD2' ' A' ' 56' ' ' ASP . 0.0 OUTLIER -136.19 173.79 11.32 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.824 0.345 . . . . 11.55 110.524 -179.993 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 63' ' ' ILE . . . . . 0.838 HD11 ' CD1' ' A' ' 52' ' ' ILE . 55.7 mt -111.53 113.81 45.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.202 -0.454 . . . . 10.06 110.684 -179.946 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 64' ' ' ASP . . . . . 0.675 ' OD1' ' N ' ' A' ' 64' ' ' ASP . 0.0 OUTLIER -78.7 145.7 34.38 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.188 -0.46 . . . . 11.33 110.358 179.881 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 65' ' ' PHE . . . . . 0.659 ' N ' ' CD ' ' A' ' 66' ' ' PRO . 0.3 OUTLIER -70.9 -36.87 5.56 Favored Pre-proline 0 C--N 1.331 -0.223 0 CA-C-N 116.472 -0.331 . . . . 7.4 111.078 -179.71 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 66' ' ' PRO . . . . . 0.659 ' CD ' ' N ' ' A' ' 65' ' ' PHE . 37.0 Cg_exo -53.56 -48.68 20.57 Favored 'Trans proline' 0 C--N 1.309 -1.533 0 C-N-CA 122.32 2.013 . . . . 6.66 111.818 179.83 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 67' ' ' GLU . . . . . 0.572 ' OE2' ' OD2' ' A' ' 64' ' ' ASP . 14.5 mt-10 -74.54 -32.31 62.42 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.155 -0.475 . . . . 7.44 110.332 179.819 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 68' ' ' PHE . . . . . . . . . . . . . 35.6 t80 -50.39 -27.96 7.27 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.149 -0.478 . . . . 8.58 110.497 179.912 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 69' ' ' LEU . . . . . 0.814 HD21 ' CD2' ' A' ' 12' ' ' PHE . 0.4 OUTLIER -83.47 -38.01 22.39 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.141 -0.481 . . . . 9.43 110.233 179.534 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 70' ' ' THR . . . . . 0.569 ' O ' ' CB ' ' A' ' 74' ' ' ARG . 0.3 OUTLIER -71.63 -35.91 70.58 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.024 -0.535 . . . . 7.53 110.472 179.999 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 71' ' ' MET . . . . . . . . . . . . . 8.4 tpt -55.98 -43.12 77.29 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.203 -0.453 . . . . 11.86 110.549 179.967 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 72' ' ' MET . . . . . 0.434 ' H ' ' HG2' ' A' ' 72' ' ' MET . 3.3 ptm -89.18 -38.85 13.97 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.19 -0.459 . . . . 22.32 110.571 179.979 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -69.52 -32.22 70.92 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.234 -0.439 . . . . 9.15 110.59 179.98 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 74' ' ' ARG . . . . . 0.569 ' CB ' ' O ' ' A' ' 70' ' ' THR . 64.6 ttt180 -75.09 -42.59 56.31 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.233 -0.44 . . . . 13.8 110.573 -179.939 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 75' ' ' LYS . . . . . 0.477 ' O ' ' OD1' ' A' ' 78' ' ' ASP . 2.3 tmtm? -50.75 -32.53 19.99 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.196 -0.456 . . . . 25.18 110.582 179.967 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 76' ' ' MET . . . . . . . . . . . . . 12.5 mtp -77.91 0.49 23.93 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.168 -0.469 . . . . 34.79 110.594 -179.987 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 7.0 mtpm? -113.51 32.85 5.51 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.183 -0.462 . . . . 37.65 110.556 179.998 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 78' ' ' ASP . . . . . 0.477 ' OD1' ' O ' ' A' ' 75' ' ' LYS . 25.3 p-10 -161.94 -175.53 4.71 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.215 -0.448 . . . . 42.58 110.549 179.985 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 12.6 t -77.45 156.75 30.89 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.201 -0.454 . . . . 38.4 110.527 179.992 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 6.8 p-10 -130.31 163.01 27.74 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.159 -0.473 . . . . 37.51 110.6 -179.99 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 72.5 p -117.12 134.81 54.31 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.219 -0.446 . . . . 33.12 110.551 179.994 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 17.6 mm-40 -57.33 -10.38 1.33 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.186 -0.461 . . . . 34.28 110.632 179.948 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -53.0 -60.43 3.29 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.166 -0.47 . . . . 30.91 110.575 179.993 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 5.6 tt0 -62.56 -55.6 25.73 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.184 -0.462 . . . . 22.86 110.572 179.981 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 85' ' ' ILE . . . . . 0.476 ' CD1' ' SD ' ' A' ' 145' ' ' MET . 16.3 mt -45.43 -27.76 0.62 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.206 -0.452 . . . . 19.17 110.578 179.996 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 46.6 mtt180 -83.39 -52.71 6.29 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.176 -0.466 . . . . 26.85 110.535 -179.953 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 87' ' ' GLU . . . . . 0.904 ' O ' HG23 ' A' ' 91' ' ' VAL . 0.6 OUTLIER -53.41 -40.51 65.18 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.224 -0.444 . . . . 16.48 110.547 -179.974 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -78.82 -42.88 26.57 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.24 -0.436 . . . . 9.91 110.602 -179.994 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 89' ' ' PHE . . . . . 0.45 ' CZ ' ' HB2' ' A' ' 138' ' ' TYR . 50.4 t80 -55.84 -36.16 67.2 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.16 -0.473 . . . . 8.53 110.604 -179.984 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 90' ' ' ARG . . . . . 0.404 ' C ' ' N ' ' A' ' 92' ' ' PHE . 19.3 mtp180 -81.26 -43.68 18.84 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.206 -0.452 . . . . 17.58 110.51 -179.991 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 91' ' ' VAL . . . . . 0.904 HG23 ' O ' ' A' ' 87' ' ' GLU . 44.4 t -50.08 -16.63 0.39 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.168 -0.469 . . . . 7.82 110.64 -179.891 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 92' ' ' PHE . . . . . 0.49 ' CE1' HG11 ' A' ' 108' ' ' VAL . 14.3 m-85 -94.31 -40.3 10.03 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.189 -0.459 . . . . 9.11 110.528 179.952 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 93' ' ' ASP . . . . . 0.668 ' OD1' ' ND2' ' A' ' 97' ' ' ASN . 2.0 t70 -98.98 71.37 1.86 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.162 -0.472 . . . . 11.11 110.583 -179.993 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 17.6 mtmm -47.93 -19.25 0.23 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.209 -0.45 . . . . 14.57 111.124 -179.629 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . 17.1 t0 -75.18 -12.0 60.2 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 120.842 0.353 . . . . 10.2 110.64 -179.765 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 60.3 9.7 12.98 Favored Glycine 0 CA--C 1.525 0.708 0 N-CA-C 111.009 -0.836 . . . . 6.24 111.009 -179.972 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 97' ' ' ASN . . . . . 0.819 ' ND2' ' H ' ' A' ' 99' ' ' TYR . 0.0 OUTLIER -78.02 -7.25 56.64 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.847 0.356 . . . . 7.56 110.371 179.815 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 98' ' ' GLY . . . . . 0.648 ' N ' HD22 ' A' ' 97' ' ' ASN . . . 73.55 30.16 62.61 Favored Glycine 0 CA--C 1.525 0.678 0 N-CA-C 111.072 -0.811 . . . . 7.08 111.072 179.886 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 99' ' ' TYR . . . . . 0.819 ' H ' ' ND2' ' A' ' 97' ' ' ASN . 82.2 m-85 -140.72 135.07 31.21 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.848 0.356 . . . . 9.0 110.689 179.946 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 8.5 mt -122.06 108.35 21.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.158 -0.473 . . . . 9.29 110.468 179.911 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 5.4 t -86.21 151.59 23.51 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.245 -0.434 . . . . 7.02 110.69 -179.887 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -46.16 -28.27 1.19 Allowed 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.017 -0.538 . . . . 6.41 110.628 -179.998 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -67.79 -39.14 84.08 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.198 -0.455 . . . . 5.01 110.605 179.974 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 2.8 mt-10 -75.32 -49.81 17.97 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.168 -0.469 . . . . 6.84 110.585 179.977 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 105' ' ' LEU . . . . . 0.624 HD13 ' O ' ' A' ' 105' ' ' LEU . 0.2 OUTLIER -47.73 -49.86 26.99 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.232 -0.44 . . . . 4.99 110.579 -179.982 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 106' ' ' ARG . . . . . 0.497 ' O ' ' N ' ' A' ' 110' ' ' THR . 5.3 tmm_? -66.49 -37.81 85.9 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.191 -0.458 . . . . 15.24 110.589 179.972 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 107' ' ' HIS . . . . . . . . . . . . . 10.5 t-160 -58.81 -54.6 45.31 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.165 -0.47 . . . . 15.69 110.518 -179.951 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 108' ' ' VAL . . . . . 0.49 HG11 ' CE1' ' A' ' 92' ' ' PHE . 24.3 t -61.53 -41.72 91.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.218 -0.446 . . . . 12.28 110.603 -179.979 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 109' ' ' MET . . . . . . . . . . . . . 4.9 mtt -76.47 -18.46 58.76 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.18 -0.464 . . . . 9.53 110.61 -179.99 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 110' ' ' THR . . . . . 0.497 ' N ' ' O ' ' A' ' 106' ' ' ARG . 13.7 m -70.2 -51.69 29.02 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.212 -0.449 . . . . 11.87 110.631 -179.984 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 111' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER -67.95 -18.76 64.85 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.233 -0.44 . . . . 21.65 110.621 -179.987 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 112' ' ' LEU . . . . . 0.415 ' HA ' HD13 ' A' ' 112' ' ' LEU . 0.1 OUTLIER -50.08 -31.38 13.08 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.116 -0.493 . . . . 19.55 110.483 -179.996 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . 115.09 4.34 20.82 Favored Glycine 0 CA--C 1.525 0.693 0 N-CA-C 110.901 -0.88 . . . . 19.66 110.901 -179.949 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -124.29 126.23 45.7 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.754 0.311 . . . . 25.55 110.445 179.925 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 23.6 mttt -87.25 111.95 21.53 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.31 -0.405 . . . . 23.26 110.556 -179.975 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 116' ' ' LEU . . . . . . . . . . . . . 4.8 mt -105.51 143.06 34.19 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.184 -0.462 . . . . 23.07 110.592 179.993 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 117' ' ' THR . . . . . 0.452 ' O ' HG23 ' A' ' 121' ' ' VAL . 0.8 OUTLIER -69.28 151.62 46.03 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.234 -0.439 . . . . 19.41 110.556 -179.97 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 118' ' ' ASP . . . . . . . . . . . . . 4.3 m-20 -74.11 -28.65 61.45 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.179 -0.464 . . . . 18.08 110.527 -179.989 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 119' ' ' GLU . . . . . . . . . . . . . 5.1 mt-10 -71.77 -28.32 63.55 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.213 -0.449 . . . . 20.16 110.531 -179.978 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 120' ' ' GLU . . . . . . . . . . . . . 7.7 tt0 -83.73 -32.72 25.34 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.227 -0.442 . . . . 14.19 110.577 179.983 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 121' ' ' VAL . . . . . 0.452 HG23 ' O ' ' A' ' 117' ' ' THR . 68.9 t -73.82 -49.93 32.03 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.139 -0.482 . . . . 14.97 110.568 -179.98 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 122' ' ' ASP . . . . . 0.632 ' OD2' ' N ' ' A' ' 123' ' ' GLU . 3.4 p-10 -67.34 -43.26 82.01 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.197 -0.456 . . . . 20.12 110.539 -179.982 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 123' ' ' GLU . . . . . 0.632 ' N ' ' OD2' ' A' ' 122' ' ' ASP . 3.9 tm-20 -46.68 -46.46 20.08 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.219 -0.446 . . . . 15.72 110.555 -179.993 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 124' ' ' MET . . . . . . . . . . . . . 2.1 tpt -72.87 -48.81 34.3 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.168 -0.469 . . . . 9.75 110.555 179.991 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 125' ' ' ILE . . . . . 0.516 ' O ' ' OD2' ' A' ' 129' ' ' ASP . 52.8 mt -62.37 -59.92 3.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.211 -0.449 . . . . 11.99 110.582 -179.996 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 126' ' ' ARG . . . . . 0.505 ' N ' ' O ' ' A' ' 122' ' ' ASP . 3.5 tpt180 -45.06 -31.95 1.54 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.195 -0.457 . . . . 27.23 110.588 179.973 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 127' ' ' GLU . . . . . . . . . . . . . 22.4 mt-10 -84.52 -53.3 5.51 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.167 -0.47 . . . . 15.5 110.586 179.966 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 128' ' ' ALA . . . . . . . . . . . . . . . -62.59 -8.42 6.42 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.223 -0.444 . . . . 10.5 110.52 -179.996 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 129' ' ' ASP . . . . . 0.573 ' OD1' ' O ' ' A' ' 135' ' ' GLN . 1.7 m-20 -91.03 93.89 9.38 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.2 -0.455 . . . . 10.86 110.594 179.999 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 130' ' ' ILE . . . . . . . . . . . . . 44.5 mt -48.94 -40.96 12.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.234 -0.439 . . . . 12.26 110.524 -179.935 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 131' ' ' ASP . . . . . . . . . . . . . 2.3 m-20 -87.4 -17.7 31.7 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.226 -0.443 . . . . 7.79 110.557 -179.988 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 132' ' ' GLY . . . . . . . . . . . . . . . 56.61 53.34 44.36 Favored Glycine 0 CA--C 1.525 0.671 0 N-CA-C 110.986 -0.846 . . . . 3.93 110.986 179.975 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 133' ' ' ASP . . . . . 0.532 ' OD1' ' N ' ' A' ' 133' ' ' ASP . 0.7 OUTLIER -100.91 2.87 41.28 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.802 0.334 . . . . 9.56 110.603 179.959 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 134' ' ' GLY . . . . . . . . . . . . . . . 88.29 7.67 72.6 Favored Glycine 0 CA--C 1.524 0.634 0 N-CA-C 110.915 -0.874 . . . . 7.32 110.915 -179.969 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 135' ' ' GLN . . . . . 0.573 ' O ' ' OD1' ' A' ' 129' ' ' ASP . 1.0 OUTLIER -145.72 164.43 31.83 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.801 0.334 . . . . 22.05 110.544 -179.965 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 136' ' ' VAL . . . . . . . . . . . . . 1.5 t -120.97 100.66 9.31 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.249 -0.432 . . . . 10.34 110.671 -179.998 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 137' ' ' ASN . . . . . . . . . . . . . 52.6 p-10 -68.96 165.42 20.11 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.131 -0.486 . . . . 12.02 110.631 -179.984 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 138' ' ' TYR . . . . . 0.45 ' HB2' ' CZ ' ' A' ' 89' ' ' PHE . 34.9 t80 -54.21 -34.42 60.57 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.218 -0.446 . . . . 8.75 110.571 179.974 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 139' ' ' GLU . . . . . . . . . . . . . 4.4 tt0 -61.77 -39.46 91.71 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.153 -0.476 . . . . 22.33 110.549 -179.968 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 140' ' ' GLU . . . . . 0.539 ' O ' ' CB ' ' A' ' 143' ' ' GLN . 6.4 mt-10 -65.15 -39.36 92.88 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.199 -0.455 . . . . 13.45 110.591 179.971 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 141' ' ' PHE . . . . . 0.413 ' C ' ' N ' ' A' ' 143' ' ' GLN . 1.4 m-85 -50.27 -60.28 3.13 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.182 -0.463 . . . . 8.25 110.489 179.973 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 142' ' ' VAL . . . . . . . . . . . . . 60.4 t -46.22 -21.64 0.29 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.199 -0.455 . . . . 10.15 110.497 179.932 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 143' ' ' GLN . . . . . 0.539 ' CB ' ' O ' ' A' ' 140' ' ' GLU . 6.6 tt0 -62.47 -57.16 12.22 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.149 -0.478 . . . . 8.24 110.529 179.91 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 144' ' ' MET . . . . . . . . . . . . . 17.4 ttm -52.32 -18.36 1.55 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.168 -0.469 . . . . 6.68 110.499 179.873 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 145' ' ' MET . . . . . 0.476 ' SD ' ' CD1' ' A' ' 85' ' ' ILE . 5.3 mtp . . . . . 0 C--N 1.33 -0.266 0 CA-C-N 116.155 -0.475 . . . . 13.37 110.637 179.999 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 1.3 tp-100 . . . . . 0 C--O 1.231 0.103 0 CA-C-O 120.79 0.329 . . . . 23.46 110.588 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 4' ' ' LEU . . . . . 0.608 ' O ' HD11 ' A' ' 9' ' ' ILE . 2.2 tp -82.74 126.97 32.98 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.174 -0.466 . . . . 14.38 110.535 -179.987 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 5' ' ' THR . . . . . 0.417 HG22 ' H ' ' A' ' 5' ' ' THR . 0.5 OUTLIER -67.56 148.92 50.8 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.154 -0.475 . . . . 7.34 110.591 179.978 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 6' ' ' GLU . . . . . 0.528 ' HA ' HD12 ' A' ' 9' ' ' ILE . 5.7 pt-20 -53.93 -41.74 68.03 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.205 -0.452 . . . . 7.12 110.556 -179.958 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 32.3 mt-10 -52.63 -37.69 58.92 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.233 -0.44 . . . . 6.85 110.596 179.966 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 22.7 mt-30 -80.46 -46.15 16.4 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.228 -0.442 . . . . 15.1 110.533 -179.986 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 9' ' ' ILE . . . . . 0.608 HD11 ' O ' ' A' ' 4' ' ' LEU . 28.2 mt -57.22 -24.21 20.57 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.198 -0.455 . . . . 4.72 110.55 -179.987 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -78.71 -59.26 2.85 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.233 -0.44 . . . . 6.68 110.63 179.99 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 53.1 mt-10 -48.21 -35.89 12.72 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.188 -0.46 . . . . 18.49 110.595 179.965 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 12' ' ' PHE . . . . . 0.615 ' CG ' HD21 ' A' ' 69' ' ' LEU . 4.9 m-85 -63.11 -45.57 91.38 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.191 -0.458 . . . . 14.89 110.61 179.966 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 28.7 mtpt -46.97 -32.94 4.23 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.183 -0.462 . . . . 18.39 110.522 179.999 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 23.1 mm-40 -63.75 -46.28 86.02 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.191 -0.459 . . . . 22.76 110.518 179.978 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 15' ' ' ALA . . . . . 0.579 ' O ' ' CB ' ' A' ' 18' ' ' LEU . . . -48.6 -57.31 6.41 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.209 -0.45 . . . . 5.67 110.512 -179.983 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 16' ' ' PHE . . . . . 0.475 ' CE1' ' HB2' ' A' ' 65' ' ' PHE . 0.2 OUTLIER -42.8 -60.12 1.7 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.191 -0.459 . . . . 13.28 110.451 179.999 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 70.2 p -45.29 -21.52 0.09 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.217 -0.447 . . . . 12.16 110.413 179.905 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 18' ' ' LEU . . . . . 0.579 ' CB ' ' O ' ' A' ' 15' ' ' ALA . 13.7 tp -67.34 -46.27 73.92 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.066 -0.515 . . . . 17.89 110.458 179.89 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 97.0 m-85 -90.05 -50.15 6.18 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.14 -0.482 . . . . 9.14 110.543 179.938 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 20' ' ' ASP . . . . . 0.558 ' OD2' ' OD1' ' A' ' 24' ' ' ASP . 12.5 t0 -71.88 68.54 0.66 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.209 -0.45 . . . . 7.47 110.512 -179.976 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 13.3 tttt -61.59 -19.71 62.51 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.195 -0.457 . . . . 27.75 110.681 -179.96 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 22' ' ' ASP . . . . . 0.528 ' OD2' ' N ' ' A' ' 22' ' ' ASP . 1.1 m-20 -87.44 -15.47 37.6 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.291 -0.413 . . . . 14.13 110.583 -179.909 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 60.35 32.74 78.11 Favored Glycine 0 CA--C 1.524 0.633 0 N-CA-C 110.917 -0.873 . . . . 11.51 110.917 -179.946 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 24' ' ' ASP . . . . . 0.558 ' OD1' ' OD2' ' A' ' 20' ' ' ASP . 9.2 p-10 -80.84 -27.49 36.47 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.791 0.329 . . . . 14.28 110.591 -179.978 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 105.16 5.79 40.14 Favored Glycine 0 CA--C 1.525 0.692 0 N-CA-C 110.889 -0.884 . . . . 9.47 110.889 -179.963 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 1.4 p -148.72 136.74 20.86 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 120.8 0.333 . . . . 16.41 110.576 -179.965 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 19.1 mt -111.8 138.64 39.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.206 -0.452 . . . . 8.03 110.606 179.999 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 33.1 p -111.25 174.89 5.65 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.172 -0.467 . . . . 7.8 110.521 -179.918 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 29' ' ' THR . . . . . 0.607 ' OG1' HD12 ' A' ' 52' ' ' ILE . 0.6 OUTLIER -73.97 -30.77 62.69 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.178 -0.464 . . . . 10.04 110.588 179.955 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 8.4 pttt -68.44 -33.15 73.69 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.194 -0.457 . . . . 16.38 110.56 179.985 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 21.9 mt-10 -85.29 -31.71 22.92 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.234 -0.439 . . . . 5.59 110.461 179.966 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 65.6 tp -72.08 -30.03 64.71 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.164 -0.471 . . . . 7.72 110.505 179.996 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 33' ' ' GLY . . . . . 0.732 ' CA ' HD21 ' A' ' 48' ' ' LEU . . . -66.81 -48.6 60.36 Favored Glycine 0 CA--C 1.525 0.67 0 N-CA-C 110.863 -0.895 . . . . 6.93 110.863 179.952 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 17.7 m -53.41 -33.09 52.53 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.811 0.338 . . . . 9.63 110.49 179.961 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 42.6 t -61.05 -52.33 62.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.204 -0.453 . . . . 7.07 110.542 179.969 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 36' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -62.08 -33.65 74.82 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.182 -0.463 . . . . 10.12 110.509 179.954 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 37' ' ' ARG . . . . . 0.469 ' HG2' HH21 ' A' ' 37' ' ' ARG . 30.7 ttp85 -59.35 -23.45 62.53 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.149 -0.478 . . . . 9.87 110.52 179.941 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 49.5 m -83.32 -21.24 33.24 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.214 -0.448 . . . . 8.15 110.472 179.931 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 39' ' ' LEU . . . . . 0.525 HD21 HD13 ' A' ' 112' ' ' LEU . 39.1 mt -91.76 15.15 13.44 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.18 -0.464 . . . . 12.78 110.504 179.947 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 67.97 26.52 73.94 Favored Glycine 0 CA--C 1.524 0.65 0 N-CA-C 110.937 -0.865 . . . . 9.6 110.937 179.994 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 84.7 mm-40 -104.28 150.21 24.64 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.811 0.339 . . . . 20.35 110.583 -179.995 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 9.4 t-20 -135.92 80.06 43.55 Favored Pre-proline 0 C--N 1.328 -0.332 0 CA-C-N 116.178 -0.465 . . . . 10.22 110.558 179.984 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 59.7 Cg_endo -77.88 154.85 30.23 Favored 'Trans proline' 0 C--N 1.306 -1.685 0 C-N-CA 122.791 2.328 . . . . 8.63 112.16 -179.85 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 3.9 p -85.27 157.7 20.51 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.15 -0.477 . . . . 4.83 110.545 -179.993 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 5.7 mt-10 -56.05 -22.62 28.48 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.238 -0.437 . . . . 16.78 110.576 179.94 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -83.59 -26.5 29.97 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.201 -0.454 . . . . 4.8 110.543 -179.972 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 39.1 tt0 -76.71 -60.84 2.18 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.242 -0.435 . . . . 6.18 110.528 -179.961 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 48' ' ' LEU . . . . . 0.732 HD21 ' CA ' ' A' ' 33' ' ' GLY . 3.3 tp -54.94 -54.96 35.95 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.227 -0.442 . . . . 6.65 110.579 179.969 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 49' ' ' GLN . . . . . 0.442 ' O ' HG22 ' A' ' 52' ' ' ILE . 17.0 tt0 -50.4 -51.98 41.46 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.168 -0.469 . . . . 7.05 110.472 179.964 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 4.4 t70 -69.27 -17.12 63.72 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.18 -0.464 . . . . 6.72 110.484 179.908 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 51' ' ' MET . . . . . . . . . . . . . 1.4 tpt -73.19 -44.59 59.56 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.118 -0.492 . . . . 13.6 110.508 179.996 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 52' ' ' ILE . . . . . 0.607 HD12 ' OG1' ' A' ' 29' ' ' THR . 6.5 tt -59.76 -31.92 48.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.196 -0.456 . . . . 8.71 110.521 179.989 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 8.8 m120 -67.94 -37.52 81.72 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.218 -0.446 . . . . 9.04 110.553 -179.981 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 65.3 mt-10 -51.2 -49.81 60.28 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.197 -0.456 . . . . 23.58 110.67 -179.854 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 55' ' ' VAL . . . . . 0.493 ' CG2' HD12 ' A' ' 63' ' ' ILE . 18.7 m -80.6 -28.29 11.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.228 -0.442 . . . . 7.6 110.584 -179.953 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 56' ' ' ASP . . . . . 0.576 ' OD2' ' OD2' ' A' ' 60' ' ' ASP . 46.3 t0 -92.33 98.48 11.52 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.199 -0.455 . . . . 12.55 110.575 -179.966 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -83.3 -18.05 40.37 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.223 -0.444 . . . . 15.13 110.527 -179.971 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 58' ' ' ASP . . . . . 0.444 ' N ' ' OD1' ' A' ' 58' ' ' ASP . 0.0 OUTLIER -87.83 -11.0 49.15 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.189 -0.46 . . . . 14.32 110.556 -179.99 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 59' ' ' GLY . . . . . 0.547 ' N ' ' OD1' ' A' ' 56' ' ' ASP . . . 47.26 42.9 18.36 Favored Glycine 0 CA--C 1.524 0.633 0 N-CA-C 110.961 -0.856 . . . . 13.64 110.961 -179.947 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 60' ' ' ASP . . . . . 0.576 ' OD2' ' OD2' ' A' ' 56' ' ' ASP . 3.1 p-10 -78.97 -19.79 50.78 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.827 0.346 . . . . 13.27 110.551 -179.946 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 105.69 1.18 39.94 Favored Glycine 0 CA--C 1.525 0.663 0 N-CA-C 110.962 -0.855 . . . . 11.65 110.962 -179.952 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -138.2 178.63 6.98 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.78 0.324 . . . . 11.55 110.555 179.991 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 63' ' ' ILE . . . . . 0.596 HD11 HG12 ' A' ' 52' ' ' ILE . 42.8 mm -118.23 104.91 16.87 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.249 -0.432 . . . . 10.06 110.658 -179.974 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 64' ' ' ASP . . . . . 0.521 ' OD1' ' OE1' ' A' ' 67' ' ' GLU . 0.0 OUTLIER -78.79 145.72 34.18 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.205 -0.452 . . . . 11.33 110.276 179.867 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 65' ' ' PHE . . . . . 0.671 ' N ' ' CD ' ' A' ' 66' ' ' PRO . 0.4 OUTLIER -70.87 -37.26 6.03 Favored Pre-proline 0 C--N 1.331 -0.222 0 CA-C-N 116.45 -0.341 . . . . 7.4 110.915 -179.666 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 66' ' ' PRO . . . . . 0.671 ' CD ' ' N ' ' A' ' 65' ' ' PHE . 33.0 Cg_exo -55.33 -54.86 3.68 Favored 'Trans proline' 0 C--N 1.309 -1.545 0 C-N-CA 122.387 2.058 . . . . 6.66 111.843 179.73 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 67' ' ' GLU . . . . . 0.521 ' OE1' ' OD1' ' A' ' 64' ' ' ASP . 13.5 pt-20 -70.48 -35.31 73.21 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.121 -0.491 . . . . 7.44 110.439 179.824 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 68' ' ' PHE . . . . . . . . . . . . . 54.0 t80 -46.69 -27.16 1.09 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.165 -0.47 . . . . 8.58 110.392 179.881 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 69' ' ' LEU . . . . . 0.615 HD21 ' CG ' ' A' ' 12' ' ' PHE . 0.6 OUTLIER -83.61 -36.47 23.86 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.131 -0.486 . . . . 9.43 110.149 179.456 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 70' ' ' THR . . . . . 0.485 ' OG1' ' O ' ' A' ' 67' ' ' GLU . 30.6 p -61.85 -51.4 68.37 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.038 -0.528 . . . . 7.53 110.503 179.962 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 71' ' ' MET . . . . . 0.523 ' C ' ' SD ' ' A' ' 71' ' ' MET . 2.0 tmt? -48.33 -45.77 35.69 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.154 -0.476 . . . . 11.86 110.472 179.954 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 72' ' ' MET . . . . . . . . . . . . . 43.1 mtp -73.53 -47.56 39.92 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.162 -0.472 . . . . 22.32 110.522 179.988 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -56.67 -48.93 76.54 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.174 -0.466 . . . . 9.15 110.523 -179.982 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 50.5 ttm-85 -45.32 -46.64 13.01 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.214 -0.448 . . . . 13.8 110.51 -179.943 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 5.7 tttp -48.6 -41.86 32.17 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.222 -0.444 . . . . 25.18 110.556 179.982 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 76' ' ' MET . . . . . . . . . . . . . 4.9 ttm -74.6 -23.15 58.68 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.194 -0.457 . . . . 34.79 110.599 179.958 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 9.8 tttp -105.49 17.18 24.31 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.208 -0.451 . . . . 37.65 110.566 179.986 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 78' ' ' ASP . . . . . 0.423 ' CG ' ' H ' ' A' ' 79' ' ' THR . 19.3 t0 -146.28 -160.51 1.16 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.228 -0.442 . . . . 42.58 110.537 -179.956 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 79' ' ' THR . . . . . 0.423 ' H ' ' CG ' ' A' ' 78' ' ' ASP . 0.0 OUTLIER -87.76 160.01 18.23 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.223 -0.444 . . . . 38.4 110.559 179.977 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -114.08 146.56 40.07 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.217 -0.447 . . . . 37.51 110.536 179.995 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 1.4 m -105.16 150.14 25.32 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.193 -0.458 . . . . 33.12 110.612 179.985 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 82' ' ' GLU . . . . . 0.588 ' O ' ' N ' ' A' ' 85' ' ' ILE . 2.4 mm-40 -84.97 -37.2 20.75 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.209 -0.45 . . . . 34.28 110.605 179.996 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 83' ' ' GLU . . . . . 0.494 ' OE2' ' C ' ' A' ' 83' ' ' GLU . 0.4 OUTLIER -43.09 -35.22 1.24 Allowed 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.235 -0.439 . . . . 30.91 110.582 179.978 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 84' ' ' GLU . . . . . 0.447 ' O ' ' HB3' ' A' ' 88' ' ' ALA . 2.2 pt-20 -82.4 -20.37 37.25 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.275 -0.421 . . . . 22.86 110.58 -179.961 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 85' ' ' ILE . . . . . 0.588 ' N ' ' O ' ' A' ' 82' ' ' GLU . 42.0 mt -79.21 -35.3 17.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.218 -0.446 . . . . 19.17 110.578 -179.966 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 86' ' ' ARG . . . . . 0.423 ' NE ' ' HA ' ' A' ' 83' ' ' GLU . 0.0 OUTLIER -76.72 -53.24 8.23 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.182 -0.463 . . . . 26.85 110.573 -179.982 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 87' ' ' GLU . . . . . 0.851 ' O ' HG23 ' A' ' 91' ' ' VAL . 3.4 mm-40 -60.37 -60.4 3.87 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.166 -0.47 . . . . 16.48 110.625 -179.973 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 88' ' ' ALA . . . . . 0.447 ' HB3' ' O ' ' A' ' 84' ' ' GLU . . . -50.21 -33.32 19.0 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.218 -0.447 . . . . 9.91 110.617 -179.99 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 89' ' ' PHE . . . . . 0.476 ' C ' ' CD2' ' A' ' 89' ' ' PHE . 16.8 t80 -79.12 -61.5 1.99 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.249 -0.432 . . . . 8.53 110.571 -179.9 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 2.0 ptm180 -63.55 -19.06 64.48 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.183 -0.462 . . . . 17.58 110.657 -179.908 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 91' ' ' VAL . . . . . 0.851 HG23 ' O ' ' A' ' 87' ' ' GLU . 4.6 t -62.15 -36.96 77.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.192 -0.458 . . . . 7.82 110.672 -179.931 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 92' ' ' PHE . . . . . 0.459 ' CE1' HG11 ' A' ' 108' ' ' VAL . 8.2 m-85 -92.01 -13.68 30.61 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.265 -0.425 . . . . 9.11 110.678 -179.911 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 93' ' ' ASP . . . . . 0.575 ' OD2' ' O ' ' A' ' 99' ' ' TYR . 13.3 t70 -94.02 68.74 3.81 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.334 -0.394 . . . . 11.11 110.644 -179.932 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 4.8 tttp -49.2 -25.47 2.26 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.184 -0.462 . . . . 14.57 110.984 -179.724 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 95' ' ' ASP . . . . . 0.506 ' OD1' ' N ' ' A' ' 95' ' ' ASP . 0.3 OUTLIER -75.34 -14.57 60.49 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.833 0.349 . . . . 10.2 110.665 -179.837 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 60.35 9.68 13.12 Favored Glycine 0 CA--C 1.525 0.694 0 N-CA-C 111.067 -0.813 . . . . 6.24 111.067 -179.987 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 97' ' ' ASN . . . . . 0.685 ' O ' ' CE1' ' A' ' 99' ' ' TYR . 32.7 p-10 -69.11 -2.33 9.95 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.921 0.391 . . . . 7.56 110.318 179.801 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 98' ' ' GLY . . . . . 0.476 ' C ' ' CD2' ' A' ' 99' ' ' TYR . . . 66.47 10.88 55.19 Favored Glycine 0 CA--C 1.524 0.644 0 N-CA-C 110.964 -0.855 . . . . 7.08 110.964 179.961 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 99' ' ' TYR . . . . . 0.685 ' CE1' ' O ' ' A' ' 97' ' ' ASN . 1.1 m-85 -128.55 136.0 50.15 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.779 0.323 . . . . 9.0 110.579 179.967 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 41.9 mt -121.3 113.14 38.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.259 -0.428 . . . . 9.29 110.494 179.911 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 101' ' ' SER . . . . . 0.527 ' OG ' ' CD ' ' A' ' 135' ' ' GLN . 16.1 m -89.19 151.72 22.01 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.188 -0.46 . . . . 7.02 110.675 -179.894 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -49.14 -19.41 0.44 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.072 -0.513 . . . . 6.41 110.541 -179.979 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -74.45 -51.97 13.37 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.267 -0.424 . . . . 5.01 110.622 179.959 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 54.0 mt-10 -65.38 -50.63 64.79 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.189 -0.46 . . . . 6.84 110.585 179.979 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 105' ' ' LEU . . . . . 0.636 HD23 HD11 ' A' ' 125' ' ' ILE . 28.9 tp -47.65 -49.39 27.54 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.265 -0.425 . . . . 4.99 110.507 -179.978 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 106' ' ' ARG . . . . . 0.566 ' O ' ' OG1' ' A' ' 110' ' ' THR . 4.9 ttp-105 -67.14 -25.21 66.07 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.216 -0.447 . . . . 15.24 110.524 -179.957 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 107' ' ' HIS . . . . . . . . . . . . . 1.3 t60 -62.45 -51.93 65.55 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.195 -0.457 . . . . 15.69 110.499 179.98 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 108' ' ' VAL . . . . . 0.493 ' O ' ' N ' ' A' ' 112' ' ' LEU . 26.7 t -62.99 -62.77 1.02 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.195 -0.457 . . . . 12.28 110.544 -179.993 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 109' ' ' MET . . . . . 0.572 ' O ' ' O ' ' A' ' 114' ' ' GLU . 22.2 mmt -48.24 -34.11 9.72 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.203 -0.453 . . . . 9.53 110.712 -179.966 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 110' ' ' THR . . . . . 0.566 ' OG1' ' O ' ' A' ' 106' ' ' ARG . 17.0 m -62.64 -54.49 38.69 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.279 -0.419 . . . . 11.87 110.661 -179.898 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 111' ' ' ASN . . . . . . . . . . . . . 6.1 m120 -83.49 -10.65 58.21 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.255 -0.43 . . . . 21.65 110.63 -179.961 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 112' ' ' LEU . . . . . 0.525 HD13 HD21 ' A' ' 39' ' ' LEU . 21.1 tp -65.86 -13.15 59.05 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.209 -0.45 . . . . 19.55 110.562 -179.98 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . 113.91 -5.82 23.95 Favored Glycine 0 CA--C 1.525 0.668 0 N-CA-C 110.989 -0.844 . . . . 19.66 110.989 179.92 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 114' ' ' GLU . . . . . 0.572 ' O ' ' O ' ' A' ' 109' ' ' MET . 5.3 mt-10 -124.33 115.62 21.29 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.789 0.328 . . . . 25.55 110.522 179.949 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 37.7 mttt -79.84 118.17 21.38 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.273 -0.421 . . . . 23.26 110.513 -179.987 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 116' ' ' LEU . . . . . 0.522 HD12 ' HB3' ' A' ' 109' ' ' MET . 1.0 OUTLIER -111.23 147.79 34.25 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.184 -0.462 . . . . 23.07 110.543 179.994 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 117' ' ' THR . . . . . . . . . . . . . 6.3 p -83.18 148.78 27.24 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.202 -0.454 . . . . 19.41 110.575 179.969 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 118' ' ' ASP . . . . . 0.518 ' O ' ' CG ' ' A' ' 122' ' ' ASP . 0.5 OUTLIER -69.61 -34.84 74.67 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.208 -0.451 . . . . 18.08 110.565 -179.991 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 119' ' ' GLU . . . . . . . . . . . . . 4.1 tm-20 -63.17 -50.82 68.85 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.218 -0.446 . . . . 20.16 110.576 179.982 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 120' ' ' GLU . . . . . . . . . . . . . 17.7 tt0 -61.98 -48.8 78.74 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.205 -0.452 . . . . 14.19 110.584 -179.963 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 121' ' ' VAL . . . . . 0.423 HG12 HD12 ' A' ' 125' ' ' ILE . 85.4 t -64.69 -38.11 81.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.18 -0.463 . . . . 14.97 110.561 179.952 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 122' ' ' ASP . . . . . 0.518 ' CG ' ' O ' ' A' ' 118' ' ' ASP . 57.7 m-20 -73.79 -40.59 63.31 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.185 -0.461 . . . . 20.12 110.585 -179.988 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 123' ' ' GLU . . . . . . . . . . . . . 20.2 tt0 -58.29 -51.96 67.57 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.243 -0.435 . . . . 15.72 110.539 179.976 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 124' ' ' MET . . . . . 0.528 ' SD ' ' O ' ' A' ' 124' ' ' MET . 0.0 OUTLIER -60.9 -52.92 62.98 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.229 -0.441 . . . . 9.75 110.6 179.971 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 125' ' ' ILE . . . . . 0.755 HG22 ' OD2' ' A' ' 129' ' ' ASP . 39.4 mt -61.66 -62.73 1.0 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.208 -0.451 . . . . 11.99 110.59 179.956 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 126' ' ' ARG . . . . . . . . . . . . . 28.3 ttp180 -44.6 -25.86 0.31 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.249 -0.432 . . . . 27.23 110.533 179.978 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 127' ' ' GLU . . . . . . . . . . . . . 74.8 tt0 -78.97 -47.29 16.59 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.217 -0.447 . . . . 15.5 110.5 -179.957 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 128' ' ' ALA . . . . . . . . . . . . . . . -75.14 -10.85 59.84 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.205 -0.452 . . . . 10.5 110.606 179.93 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 129' ' ' ASP . . . . . 0.755 ' OD2' HG22 ' A' ' 125' ' ' ILE . 70.3 m-20 -74.06 92.83 2.19 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.2 -0.455 . . . . 10.86 110.568 179.983 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 130' ' ' ILE . . . . . 0.434 HD12 ' OE2' ' A' ' 140' ' ' GLU . 39.8 mt -49.02 -42.11 14.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.179 -0.464 . . . . 12.26 110.582 -179.978 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 131' ' ' ASP . . . . . 0.573 ' OD1' ' OD1' ' A' ' 133' ' ' ASP . 3.7 p30 -86.07 -17.73 34.35 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.278 -0.419 . . . . 7.79 110.62 179.968 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 132' ' ' GLY . . . . . . . . . . . . . . . 58.81 56.32 25.97 Favored Glycine 0 CA--C 1.525 0.67 0 N-CA-C 110.928 -0.869 . . . . 3.93 110.928 -179.998 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 133' ' ' ASP . . . . . 0.573 ' OD1' ' OD1' ' A' ' 131' ' ' ASP . 1.2 p30 -101.01 -15.73 17.37 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.832 0.349 . . . . 9.56 110.611 -179.984 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 134' ' ' GLY . . . . . . . . . . . . . . . 104.92 12.19 28.4 Favored Glycine 0 CA--C 1.525 0.659 0 N-CA-C 110.937 -0.865 . . . . 7.32 110.937 -179.96 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 135' ' ' GLN . . . . . 0.563 ' O ' ' OD1' ' A' ' 129' ' ' ASP . 30.8 mt-30 -148.73 167.9 24.32 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.73 0.3 . . . . 22.05 110.442 -179.946 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 136' ' ' VAL . . . . . 0.515 HG13 ' HB3' ' A' ' 140' ' ' GLU . 35.3 t -121.63 100.3 8.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.301 -0.409 . . . . 10.34 110.599 179.962 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 137' ' ' ASN . . . . . 0.666 ' ND2' ' OE1' ' A' ' 140' ' ' GLU . 1.1 p-10 -71.23 162.49 29.34 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.158 -0.474 . . . . 12.02 110.657 -179.963 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 138' ' ' TYR . . . . . 0.47 ' CZ ' ' CD2' ' A' ' 89' ' ' PHE . 0.1 OUTLIER -51.39 -34.97 36.71 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.149 -0.478 . . . . 8.75 110.42 179.991 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 139' ' ' GLU . . . . . . . . . . . . . 1.4 tp10 -59.85 -43.28 94.72 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.172 -0.467 . . . . 22.33 110.581 179.978 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 140' ' ' GLU . . . . . 0.666 ' OE1' ' ND2' ' A' ' 137' ' ' ASN . 1.3 mp0 -64.51 -37.42 87.47 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.163 -0.471 . . . . 13.45 110.473 -179.984 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 141' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -56.99 -31.23 64.85 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.186 -0.461 . . . . 8.25 110.502 179.92 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 142' ' ' VAL . . . . . . . . . . . . . 47.6 t -68.5 -21.53 26.29 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.169 -0.469 . . . . 10.15 110.544 179.988 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 143' ' ' GLN . . . . . . . . . . . . . 19.7 mm100 -81.23 -31.34 33.9 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.214 -0.448 . . . . 8.24 110.519 -179.993 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 144' ' ' MET . . . . . 0.439 ' SD ' ' O ' ' A' ' 144' ' ' MET . 1.9 tmt? -79.88 -9.36 59.66 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.245 -0.434 . . . . 6.68 110.589 179.998 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 145' ' ' MET . . . . . 0.428 ' SD ' ' O ' ' A' ' 145' ' ' MET . 0.0 OUTLIER . . . . . 0 C--N 1.328 -0.333 0 CA-C-N 116.213 -0.449 . . . . 13.37 110.61 179.982 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 34.8 tp60 . . . . . 0 C--O 1.231 0.123 0 CA-C-O 120.827 0.346 . . . . 23.46 110.538 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 4' ' ' LEU . . . . . 0.515 HD23 ' CG1' ' A' ' 9' ' ' ILE . 1.1 tp -76.34 126.99 31.99 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.187 -0.461 . . . . 14.38 110.605 -179.973 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -74.51 148.63 40.78 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.193 -0.458 . . . . 7.34 110.546 179.963 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 6' ' ' GLU . . . . . 0.407 ' H ' ' HG3' ' A' ' 6' ' ' GLU . 24.1 mt-10 -52.87 -43.55 66.19 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.196 -0.457 . . . . 7.12 110.634 -179.975 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 1.2 tm-20 -51.42 -27.49 10.27 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.216 -0.447 . . . . 6.85 110.552 179.962 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 16.4 mt-30 -87.94 -43.85 11.46 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.237 -0.438 . . . . 15.1 110.575 -179.985 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 9' ' ' ILE . . . . . 0.515 ' CG1' HD23 ' A' ' 4' ' ' LEU . 97.6 mt -59.0 -30.66 43.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.134 -0.485 . . . . 4.72 110.638 179.953 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -70.55 -59.45 2.83 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.212 -0.449 . . . . 6.68 110.516 -179.983 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 12.6 tt0 -44.07 -40.86 5.15 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.211 -0.45 . . . . 18.49 110.601 -179.995 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 8.0 m-85 -57.75 -42.64 84.35 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.207 -0.452 . . . . 14.89 110.556 -179.988 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 8.8 ttmm -52.01 -40.19 60.64 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.193 -0.458 . . . . 18.39 110.592 179.998 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 1.1 tp10 -59.46 -39.65 84.36 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.188 -0.46 . . . . 22.76 110.576 179.984 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -61.83 -45.28 94.52 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.166 -0.47 . . . . 5.67 110.568 179.968 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 16' ' ' PHE . . . . . 0.658 ' CZ ' HD11 ' A' ' 27' ' ' ILE . 4.0 t80 -54.48 -60.16 3.72 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.28 -0.418 . . . . 13.28 110.548 -179.988 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 1.3 m -47.39 -21.74 0.35 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.21 -0.45 . . . . 12.16 110.526 179.994 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 11.9 tp -86.75 -29.13 22.6 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.195 -0.457 . . . . 17.89 110.536 -179.989 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 19' ' ' PHE . . . . . 0.465 ' N ' ' O ' ' A' ' 16' ' ' PHE . 25.1 m-85 -90.07 -50.39 6.03 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.248 -0.433 . . . . 9.14 110.554 -180.0 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 20' ' ' ASP . . . . . 0.473 ' HB2' ' CE2' ' A' ' 16' ' ' PHE . 8.7 t0 -91.91 86.94 6.03 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.26 -0.427 . . . . 7.47 110.558 179.967 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -74.95 -19.62 60.03 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.15 -0.477 . . . . 27.75 110.697 -179.892 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 22' ' ' ASP . . . . . 0.557 ' OD1' ' OE2' ' A' ' 31' ' ' GLU . 4.7 m-20 -82.17 -15.46 53.18 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.264 -0.425 . . . . 14.13 110.718 -179.869 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 59.6 37.47 92.3 Favored Glycine 0 CA--C 1.525 0.711 0 N-CA-C 110.985 -0.846 . . . . 11.51 110.985 179.981 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 72.0 m-20 -81.71 -27.48 33.9 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.768 0.318 . . . . 14.28 110.607 -179.993 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 105.23 4.42 41.09 Favored Glycine 0 CA--C 1.524 0.644 0 N-CA-C 110.949 -0.86 . . . . 9.47 110.949 -179.996 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 35.0 p -148.7 138.13 21.87 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.823 0.344 . . . . 16.41 110.572 179.994 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 27' ' ' ILE . . . . . 0.658 HD11 ' CZ ' ' A' ' 16' ' ' PHE . 7.4 mm -91.36 122.29 42.63 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.152 -0.476 . . . . 8.03 110.604 -179.99 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 63.1 p -105.63 172.59 6.72 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.225 -0.443 . . . . 7.8 110.574 -179.946 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 29' ' ' THR . . . . . 0.938 HG23 HD12 ' A' ' 52' ' ' ILE . 22.2 p -73.63 -37.6 65.31 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.212 -0.449 . . . . 10.04 110.618 179.987 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 30' ' ' LYS . . . . . 0.539 ' O ' ' OG1' ' A' ' 34' ' ' THR . 17.7 ttpp -58.27 -34.74 70.84 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.203 -0.453 . . . . 16.38 110.55 -179.973 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 31' ' ' GLU . . . . . 0.561 ' O ' HG23 ' A' ' 35' ' ' VAL . 2.1 mm-40 -85.42 -34.68 21.65 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.24 -0.436 . . . . 5.59 110.555 179.981 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 32' ' ' LEU . . . . . 0.439 ' HB3' HD11 ' A' ' 48' ' ' LEU . 15.6 tp -62.48 -55.89 23.32 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.126 -0.488 . . . . 7.72 110.626 -179.977 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 33' ' ' GLY . . . . . 0.523 ' O ' ' N ' ' A' ' 37' ' ' ARG . . . -57.31 -48.54 79.59 Favored Glycine 0 CA--C 1.525 0.675 0 N-CA-C 110.921 -0.872 . . . . 6.93 110.921 179.979 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 34' ' ' THR . . . . . 0.539 ' OG1' ' O ' ' A' ' 30' ' ' LYS . 0.1 OUTLIER -52.68 -38.64 60.9 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.808 0.337 . . . . 9.63 110.585 179.996 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 35' ' ' VAL . . . . . 0.561 HG23 ' O ' ' A' ' 31' ' ' GLU . 73.4 t -71.45 -42.23 73.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.218 -0.447 . . . . 7.07 110.609 -179.97 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 36' ' ' MET . . . . . . . . . . . . . 9.3 mmt -77.77 -24.1 49.04 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.224 -0.443 . . . . 10.12 110.628 179.957 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 37' ' ' ARG . . . . . 0.523 ' N ' ' O ' ' A' ' 33' ' ' GLY . 49.9 ttm-85 -66.66 -33.53 75.85 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.202 -0.454 . . . . 9.87 110.576 -179.992 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 5.1 t -84.61 -12.85 53.2 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.161 -0.472 . . . . 8.15 110.54 -179.98 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 39' ' ' LEU . . . . . 0.437 ' HA ' HD23 ' A' ' 39' ' ' LEU . 16.3 mt -79.8 4.97 14.81 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.184 -0.462 . . . . 12.78 110.589 -179.998 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 86.59 9.41 75.28 Favored Glycine 0 CA--C 1.525 0.696 0 N-CA-C 110.91 -0.876 . . . . 9.6 110.91 179.985 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 21.0 tt0 -101.56 146.7 27.33 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 120.817 0.341 . . . . 20.35 110.665 179.998 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 7.8 t-20 -126.81 80.04 71.35 Favored Pre-proline 0 C--N 1.329 -0.288 0 CA-C-N 116.137 -0.483 . . . . 10.22 110.504 -179.977 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 61.1 Cg_endo -78.32 146.91 22.59 Favored 'Trans proline' 0 C--N 1.305 -1.711 0 C-N-CA 122.819 2.346 . . . . 8.63 112.311 -179.9 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 23.1 p -78.87 168.66 19.39 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.095 -0.502 . . . . 4.83 110.456 179.916 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 3.2 mm-40 -65.94 -36.98 84.85 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.238 -0.437 . . . . 16.78 110.553 -179.987 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -70.23 -24.85 63.16 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.162 -0.472 . . . . 4.8 110.613 179.995 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 47' ' ' GLU . . . . . 0.56 ' O ' ' N ' ' A' ' 51' ' ' MET . 3.9 tt0 -79.73 -58.23 3.28 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.141 -0.482 . . . . 6.18 110.546 179.989 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 48' ' ' LEU . . . . . 0.45 HD22 ' HA ' ' A' ' 48' ' ' LEU . 0.1 OUTLIER -50.51 -54.78 19.68 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.21 -0.45 . . . . 6.65 110.537 179.961 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 49' ' ' GLN . . . . . 0.506 ' O ' HG22 ' A' ' 52' ' ' ILE . 28.5 mm-40 -58.74 -50.67 73.04 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.212 -0.449 . . . . 7.05 110.508 -179.997 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 50' ' ' ASP . . . . . 0.527 ' OD1' ' O ' ' A' ' 50' ' ' ASP . 38.0 t0 -67.21 -25.13 65.96 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.221 -0.445 . . . . 6.72 110.526 179.955 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 51' ' ' MET . . . . . 0.56 ' N ' ' O ' ' A' ' 47' ' ' GLU . 7.1 tpt -63.78 -50.31 69.51 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.2 -0.454 . . . . 13.6 110.567 179.983 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 52' ' ' ILE . . . . . 0.938 HD12 HG23 ' A' ' 29' ' ' THR . 6.5 tt -52.53 -36.94 22.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.232 -0.44 . . . . 8.71 110.483 179.949 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 53' ' ' ASN . . . . . 0.432 ' N ' ' CG2' ' A' ' 52' ' ' ILE . 53.5 t30 -51.77 -45.11 63.63 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.195 -0.457 . . . . 9.04 110.469 179.907 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 39.1 mt-10 -51.12 -45.62 61.65 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.23 -0.441 . . . . 23.58 110.512 -179.971 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 55' ' ' VAL . . . . . 0.772 HG22 ' HG3' ' A' ' 71' ' ' MET . 42.1 t -87.54 -11.05 10.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.229 -0.441 . . . . 7.6 110.532 179.959 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 56' ' ' ASP . . . . . 0.547 ' OD1' ' OD1' ' A' ' 60' ' ' ASP . 10.7 t0 -107.59 90.94 3.45 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.249 -0.432 . . . . 12.55 110.577 179.998 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -80.57 -32.4 36.6 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.166 -0.47 . . . . 15.13 110.563 -179.999 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 2.7 m-20 -80.7 -9.19 59.81 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.231 -0.44 . . . . 14.32 110.563 180.0 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 55.47 38.48 70.31 Favored Glycine 0 CA--C 1.524 0.624 0 N-CA-C 110.954 -0.859 . . . . 13.64 110.954 -179.983 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 60' ' ' ASP . . . . . 0.547 ' OD1' ' OD1' ' A' ' 56' ' ' ASP . 0.1 OUTLIER -79.8 -23.17 42.3 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.787 0.327 . . . . 13.27 110.512 -179.994 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 105.7 -2.61 39.09 Favored Glycine 0 CA--C 1.525 0.68 0 N-CA-C 110.931 -0.868 . . . . 11.65 110.931 -179.982 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 62' ' ' THR . . . . . 0.401 ' O ' HD13 ' A' ' 63' ' ' ILE . 0.0 OUTLIER -143.75 175.09 10.25 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.765 0.317 . . . . 11.55 110.61 179.959 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 63' ' ' ILE . . . . . 0.769 HD12 HG12 ' A' ' 55' ' ' VAL . 48.9 mm -124.18 141.03 45.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.2 -0.455 . . . . 10.06 110.628 -179.913 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 24.6 p-10 -117.77 -172.68 2.29 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.184 -0.462 . . . . 11.33 110.439 179.893 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 65' ' ' PHE . . . . . 0.433 ' CB ' ' HD3' ' A' ' 66' ' ' PRO . 0.2 OUTLIER -67.48 -53.87 21.08 Favored Pre-proline 0 C--N 1.331 -0.225 0 CA-C-N 116.528 -0.306 . . . . 7.4 110.836 -179.605 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 66' ' ' PRO . . . . . 0.433 ' HD3' ' CB ' ' A' ' 65' ' ' PHE . 44.8 Cg_exo -51.33 -40.91 61.07 Favored 'Trans proline' 0 C--N 1.309 -1.55 0 C-N-CA 122.506 2.137 . . . . 6.66 112.059 179.919 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 67' ' ' GLU . . . . . 0.537 ' CD ' ' O ' ' A' ' 55' ' ' VAL . 16.2 tt0 -83.73 -29.99 27.07 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.054 -0.521 . . . . 7.44 110.747 -179.824 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 68' ' ' PHE . . . . . . . . . . . . . 31.6 t80 -64.92 -36.31 83.97 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.265 -0.425 . . . . 8.58 110.653 -179.927 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 6.5 mp -83.47 -44.36 14.81 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.364 -0.38 . . . . 9.43 110.323 179.617 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 35.0 m -51.89 -46.04 64.4 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.115 -0.493 . . . . 7.53 110.489 179.992 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 71' ' ' MET . . . . . 0.772 ' HG3' HG22 ' A' ' 55' ' ' VAL . 0.1 OUTLIER -53.44 -46.8 70.0 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.157 -0.474 . . . . 11.86 110.597 179.889 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 72' ' ' MET . . . . . 0.485 ' N ' ' SD ' ' A' ' 71' ' ' MET . 79.0 mmm -74.95 -49.69 19.23 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.148 -0.478 . . . . 22.32 110.583 -179.999 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -57.59 -46.14 84.38 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.206 -0.452 . . . . 9.15 110.606 -179.901 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 74' ' ' ARG . . . . . 0.526 ' O ' ' N ' ' A' ' 77' ' ' LYS . 27.7 mtm180 -45.33 -52.56 9.65 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.262 -0.426 . . . . 13.8 110.594 -179.966 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 42.6 mttm -45.41 -40.29 7.96 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.226 -0.443 . . . . 25.18 110.583 179.96 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 76' ' ' MET . . . . . . . . . . . . . 20.9 mmm -72.18 -18.72 61.84 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.18 -0.463 . . . . 34.79 110.631 -179.991 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 77' ' ' LYS . . . . . 0.535 ' O ' ' OD2' ' A' ' 78' ' ' ASP . 13.9 mmmt -113.07 39.99 2.43 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.199 -0.455 . . . . 37.65 110.625 179.986 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 78' ' ' ASP . . . . . 0.535 ' OD2' ' O ' ' A' ' 77' ' ' LYS . 50.2 m-20 -170.31 -177.3 2.43 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.216 -0.447 . . . . 42.58 110.591 -180.0 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 79' ' ' THR . . . . . 0.415 HG22 ' H ' ' A' ' 79' ' ' THR . 0.1 OUTLIER -72.24 161.79 30.36 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.213 -0.449 . . . . 38.4 110.611 179.996 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 32.0 t70 -128.75 152.27 48.62 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.228 -0.442 . . . . 37.51 110.598 179.95 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -114.83 118.21 32.9 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.193 -0.458 . . . . 33.12 110.584 -179.999 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 82' ' ' GLU . . . . . 0.403 ' HG3' ' H ' ' A' ' 82' ' ' GLU . 5.0 mt-10 -56.33 -10.45 0.91 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.268 -0.424 . . . . 34.28 110.567 179.987 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 15.6 tt0 -66.16 -42.3 89.17 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.238 -0.437 . . . . 30.91 110.538 179.99 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 13.6 tp10 -67.51 -34.55 77.36 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.207 -0.451 . . . . 22.86 110.571 179.977 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 85' ' ' ILE . . . . . . . . . . . . . 10.3 mt -72.08 -21.48 20.66 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.233 -0.439 . . . . 19.17 110.635 179.993 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 45.6 mtt180 -79.4 -55.57 4.96 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.167 -0.469 . . . . 26.85 110.565 179.97 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 87' ' ' GLU . . . . . 0.817 ' O ' HG23 ' A' ' 91' ' ' VAL . 0.3 OUTLIER -56.41 -61.39 2.44 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.22 -0.445 . . . . 16.48 110.56 -179.962 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -46.11 -49.31 16.77 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.227 -0.442 . . . . 9.91 110.602 -179.951 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 89' ' ' PHE . . . . . 0.678 ' CD2' ' CZ ' ' A' ' 138' ' ' TYR . 24.7 t80 -63.62 -59.12 5.02 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.18 -0.463 . . . . 8.53 110.537 179.958 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 61.7 ttt-85 -63.58 -18.49 63.94 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.157 -0.474 . . . . 17.58 110.614 180.0 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 91' ' ' VAL . . . . . 0.817 HG23 ' O ' ' A' ' 87' ' ' GLU . 7.1 t -69.89 -20.84 23.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.164 -0.471 . . . . 7.82 110.7 -179.972 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 92' ' ' PHE . . . . . 0.407 ' CD1' HG11 ' A' ' 108' ' ' VAL . 12.1 m-85 -95.43 -31.67 13.27 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.29 -0.414 . . . . 9.11 110.672 -179.883 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 93' ' ' ASP . . . . . 0.491 ' OD2' ' N ' ' A' ' 97' ' ' ASN . 15.6 t70 -82.77 68.73 9.36 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.269 -0.423 . . . . 11.11 110.719 -179.829 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 17.4 tttt -45.79 -18.28 0.04 OUTLIER 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.141 -0.481 . . . . 14.57 111.215 -179.742 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 95' ' ' ASP . . . . . 0.534 ' OD1' ' OE2' ' A' ' 104' ' ' GLU . 0.0 OUTLIER -75.09 -8.71 57.31 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-O 120.898 0.38 . . . . 10.2 110.653 -179.764 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 60.2 9.53 11.87 Favored Glycine 0 CA--C 1.525 0.684 0 N-CA-C 110.855 -0.898 . . . . 6.24 110.855 -179.894 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 97' ' ' ASN . . . . . 0.54 ' ND2' ' O ' ' A' ' 97' ' ' ASN . 1.7 t-20 -83.7 -20.04 34.19 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.854 0.359 . . . . 7.56 110.368 179.871 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . 82.99 30.04 32.7 Favored Glycine 0 CA--C 1.525 0.687 0 N-CA-C 111.092 -0.803 . . . . 7.08 111.092 179.844 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 99' ' ' TYR . . . . . 0.665 ' CE2' ' OD1' ' A' ' 137' ' ' ASN . 28.9 m-85 -130.78 134.82 47.19 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.826 0.346 . . . . 9.0 110.622 179.889 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 77.1 mt -122.23 99.31 6.77 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.257 0 CA-C-N 116.119 -0.491 . . . . 9.29 110.667 -179.987 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 101' ' ' SER . . . . . 0.492 ' O ' ' N ' ' A' ' 103' ' ' ALA . 41.7 m -88.44 151.69 22.39 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.247 -0.433 . . . . 7.02 110.595 -179.945 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -42.77 -20.75 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.124 -0.489 . . . . 6.41 110.641 -179.9 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 103' ' ' ALA . . . . . 0.492 ' N ' ' O ' ' A' ' 101' ' ' SER . . . -83.35 -60.05 2.26 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.26 -0.427 . . . . 5.01 110.647 179.97 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 104' ' ' GLU . . . . . 0.534 ' OE2' ' OD1' ' A' ' 95' ' ' ASP . 47.5 mt-10 -50.59 -48.2 57.78 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.205 -0.452 . . . . 6.84 110.574 179.968 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 105' ' ' LEU . . . . . 0.537 HD23 HG13 ' A' ' 121' ' ' VAL . 9.1 tp -53.79 -42.1 67.96 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.218 -0.446 . . . . 4.99 110.545 -179.952 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 106' ' ' ARG . . . . . 0.671 ' HG3' HG11 ' A' ' 121' ' ' VAL . 18.9 mtp-105 -71.25 -19.32 62.37 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.232 -0.44 . . . . 15.24 110.594 -179.988 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 107' ' ' HIS . . . . . . . . . . . . . 1.2 t60 -73.68 -46.34 47.0 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.212 -0.449 . . . . 15.69 110.678 -179.925 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 108' ' ' VAL . . . . . 0.419 ' C ' ' N ' ' A' ' 110' ' ' THR . 58.4 t -81.61 -61.07 1.86 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.225 -0.443 . . . . 12.28 110.669 -179.876 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 109' ' ' MET . . . . . . . . . . . . . 20.6 mmm -47.57 -17.72 0.1 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.23 -0.441 . . . . 9.53 110.664 -179.789 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 110' ' ' THR . . . . . 0.57 ' OG1' ' O ' ' A' ' 106' ' ' ARG . 1.4 m -79.99 -43.94 21.11 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.334 -0.394 . . . . 11.87 110.729 -179.905 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 111' ' ' ASN . . . . . . . . . . . . . 9.5 m-20 -61.57 -16.28 46.52 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.401 -0.363 . . . . 21.65 110.709 -179.836 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 3.8 mm? -49.93 -34.3 20.17 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.33 -0.396 . . . . 19.55 110.562 -179.985 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . 115.64 9.95 12.02 Favored Glycine 0 CA--C 1.525 0.664 0 N-CA-C 110.732 -0.947 . . . . 19.66 110.732 -179.718 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 114' ' ' GLU . . . . . 0.691 ' O ' HD23 ' A' ' 116' ' ' LEU . 7.3 pt-20 -124.39 129.23 50.32 Favored 'General case' 0 C--N 1.329 -0.29 0 N-CA-C 110.194 -0.299 . . . . 25.55 110.194 179.602 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 25.3 mtmt -78.93 116.83 19.49 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.809 0.338 . . . . 23.26 110.74 -179.884 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 116' ' ' LEU . . . . . 0.691 HD23 ' O ' ' A' ' 114' ' ' GLU . 0.2 OUTLIER -107.84 159.02 16.83 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.182 -0.463 . . . . 23.07 110.467 179.936 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 117' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -97.77 148.66 23.15 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.176 -0.465 . . . . 19.41 110.559 -179.983 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 118' ' ' ASP . . . . . 0.512 ' OD2' ' NH1' ' A' ' 106' ' ' ARG . 0.0 OUTLIER -70.49 -38.64 74.37 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.216 -0.447 . . . . 18.08 110.576 179.989 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 119' ' ' GLU . . . . . 0.494 ' O ' ' CD ' ' A' ' 123' ' ' GLU . 31.9 mt-10 -57.15 -31.47 65.4 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.215 -0.448 . . . . 20.16 110.567 179.986 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 120' ' ' GLU . . . . . . . . . . . . . 61.2 mt-10 -80.06 -60.07 2.48 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.197 -0.456 . . . . 14.19 110.576 179.975 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 121' ' ' VAL . . . . . 0.671 HG11 ' HG3' ' A' ' 106' ' ' ARG . 64.3 t -51.27 -51.98 21.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.161 -0.472 . . . . 14.97 110.543 -179.968 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 122' ' ' ASP . . . . . . . . . . . . . 42.8 m-20 -54.87 -38.28 67.31 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.168 -0.469 . . . . 20.12 110.534 -179.976 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 123' ' ' GLU . . . . . 0.661 ' O ' ' N ' ' A' ' 127' ' ' GLU . 26.6 mt-10 -70.77 -50.25 37.97 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.224 -0.444 . . . . 15.72 110.562 179.982 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 124' ' ' MET . . . . . . . . . . . . . 0.2 OUTLIER -52.75 -61.21 2.44 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.155 -0.475 . . . . 9.75 110.561 -179.947 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 125' ' ' ILE . . . . . 0.512 ' CG2' ' N ' ' A' ' 126' ' ' ARG . 10.3 tt -55.52 -41.0 61.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.175 -0.466 . . . . 11.99 110.585 179.999 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 126' ' ' ARG . . . . . 0.512 ' N ' ' CG2' ' A' ' 125' ' ' ILE . 7.4 tmm_? -79.42 -19.31 50.3 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.201 -0.454 . . . . 27.23 110.592 -179.986 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 127' ' ' GLU . . . . . 0.661 ' N ' ' O ' ' A' ' 123' ' ' GLU . 6.7 mm-40 -85.17 -19.45 31.73 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.261 -0.427 . . . . 15.5 110.56 -179.969 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 128' ' ' ALA . . . . . 0.401 ' O ' HD13 ' A' ' 130' ' ' ILE . . . -100.27 -31.13 11.51 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.238 -0.437 . . . . 10.5 110.591 179.948 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 129' ' ' ASP . . . . . 0.606 ' OD2' ' N ' ' A' ' 132' ' ' GLY . 30.3 t0 -60.82 94.81 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.154 -0.475 . . . . 10.86 110.601 -179.914 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 130' ' ' ILE . . . . . 0.81 ' H ' HD13 ' A' ' 130' ' ' ILE . 0.0 OUTLIER -48.46 -23.82 0.86 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.109 -0.496 . . . . 12.26 110.729 -179.733 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 131' ' ' ASP . . . . . 0.551 ' N ' ' OD2' ' A' ' 129' ' ' ASP . 0.0 OUTLIER -97.73 -18.13 19.0 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.397 -0.365 . . . . 7.79 110.596 179.972 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 132' ' ' GLY . . . . . 0.606 ' N ' ' OD2' ' A' ' 129' ' ' ASP . . . 62.0 55.57 27.37 Favored Glycine 0 CA--C 1.525 0.706 0 N-CA-C 110.833 -0.907 . . . . 3.93 110.833 -179.942 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 133' ' ' ASP . . . . . 0.466 ' H ' ' CG ' ' A' ' 129' ' ' ASP . 21.1 t0 -100.93 10.45 41.1 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.757 0.313 . . . . 9.56 110.64 -179.935 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 134' ' ' GLY . . . . . . . . . . . . . . . 72.18 -3.9 20.49 Favored Glycine 0 CA--C 1.525 0.669 0 N-CA-C 110.855 -0.898 . . . . 7.32 110.855 -179.944 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 135' ' ' GLN . . . . . 0.662 ' NE2' ' O ' ' A' ' 136' ' ' VAL . 1.5 tm0? -137.84 158.54 44.13 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.77 0.319 . . . . 22.05 110.39 179.931 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 136' ' ' VAL . . . . . 0.662 ' O ' ' NE2' ' A' ' 135' ' ' GLN . 13.6 t -108.04 134.27 50.39 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.283 -0.417 . . . . 10.34 110.626 -179.978 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 137' ' ' ASN . . . . . 0.665 ' OD1' ' CE2' ' A' ' 99' ' ' TYR . 33.9 m-20 -110.04 159.36 17.37 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.107 -0.497 . . . . 12.02 110.207 179.467 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 138' ' ' TYR . . . . . 0.678 ' CZ ' ' CD2' ' A' ' 89' ' ' PHE . 0.8 OUTLIER -54.69 -31.72 58.29 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.823 0.344 . . . . 8.75 110.396 179.864 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 139' ' ' GLU . . . . . . . . . . . . . 82.8 mt-10 -66.03 -42.56 89.44 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.157 -0.474 . . . . 22.33 110.501 179.879 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 140' ' ' GLU . . . . . . . . . . . . . 1.8 mt-10 -63.48 -38.92 92.97 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.151 -0.477 . . . . 13.45 110.375 179.96 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 141' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -50.05 -38.56 38.56 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.143 -0.481 . . . . 8.25 110.34 179.846 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 142' ' ' VAL . . . . . . . . . . . . . 88.7 t -73.52 -37.01 49.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.147 -0.479 . . . . 10.15 110.481 179.936 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 143' ' ' GLN . . . . . 0.628 ' O ' ' N ' ' A' ' 147' ' ' ALA . 17.9 mm100 -48.51 -54.87 12.68 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.178 -0.465 . . . . 8.24 110.492 179.986 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 144' ' ' MET . . . . . . . . . . . . . 31.4 ttp -49.1 -46.6 45.02 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.199 -0.455 . . . . 6.68 110.422 179.974 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 145' ' ' MET . . . . . . . . . . . . . 22.4 ttm -77.57 -12.38 59.96 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.141 -0.481 . . . . 13.37 110.518 179.902 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 146' ' ' THR . . . . . 0.619 ' O ' HG22 ' A' ' 146' ' ' THR . 79.5 m -113.08 4.8 16.82 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.132 -0.485 . . . . 10.78 110.584 179.938 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 147' ' ' ALA . . . . . 0.628 ' N ' ' O ' ' A' ' 143' ' ' GLN . . . -106.38 104.64 14.38 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.126 -0.488 . . . . 18.52 110.571 179.918 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 148' ' ' LYS . . . . . . . . . . . . . 24.2 mttm . . . . . 0 C--O 1.221 -0.445 0 CA-C-O 118.012 -0.995 . . . . 23.42 110.553 -179.949 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 401' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 402' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 403' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 404' ' ' ' TB' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 3.6 pm0 . . . . . 0 C--O 1.231 0.122 0 CA-C-O 120.794 0.331 . . . . 23.46 110.587 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 4' ' ' LEU . . . . . 0.431 ' O ' HD11 ' A' ' 9' ' ' ILE . 1.5 tp -83.95 127.83 34.13 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.21 -0.45 . . . . 14.38 110.567 179.999 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -66.38 148.57 51.68 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.197 -0.456 . . . . 7.34 110.604 179.995 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 86.9 mt-10 -51.72 -40.9 61.01 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.211 -0.45 . . . . 7.12 110.574 179.957 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 2.8 tp10 -51.49 -59.6 4.07 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.207 -0.451 . . . . 6.85 110.546 -179.964 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 6.6 mm100 -60.6 -47.01 88.1 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.175 -0.466 . . . . 15.1 110.56 -179.948 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 9' ' ' ILE . . . . . 0.431 HD11 ' O ' ' A' ' 4' ' ' LEU . 96.5 mt -53.85 -29.51 18.18 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.213 -0.449 . . . . 4.72 110.594 -179.994 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -75.04 -59.29 2.8 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.177 -0.465 . . . . 6.68 110.569 -179.973 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -49.07 -28.04 3.82 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.207 -0.452 . . . . 18.49 110.596 179.986 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 12' ' ' PHE . . . . . 0.799 ' HB3' HD21 ' A' ' 69' ' ' LEU . 2.1 m-85 -68.38 -49.58 59.11 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.198 -0.455 . . . . 14.89 110.54 179.999 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 7.2 tttm -46.86 -26.69 1.03 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.186 -0.461 . . . . 18.39 110.565 179.983 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 63.7 mm-40 -66.86 -46.35 75.31 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.139 -0.482 . . . . 22.76 110.506 179.909 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -52.88 -28.01 21.2 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.144 -0.48 . . . . 5.67 110.558 179.963 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 16' ' ' PHE . . . . . 0.475 ' CE2' ' CB ' ' A' ' 20' ' ' ASP . 14.3 t80 -70.74 -60.12 2.43 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.19 -0.459 . . . . 13.28 110.525 179.981 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 2.5 m -46.36 -21.51 0.17 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.208 -0.451 . . . . 12.16 110.512 179.936 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 18' ' ' LEU . . . . . 0.405 ' N ' ' C ' ' A' ' 16' ' ' PHE . 1.7 mm? -70.86 -46.19 63.09 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.094 -0.503 . . . . 17.89 110.521 179.973 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 65.1 m-85 -90.01 -50.28 6.11 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.217 -0.447 . . . . 9.14 110.535 179.9 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 20' ' ' ASP . . . . . 0.507 ' OD2' ' CD1' ' A' ' 27' ' ' ILE . 6.1 t70 -69.03 68.46 0.17 Allowed 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.221 -0.445 . . . . 7.47 110.566 -179.966 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 3.8 tttm -75.14 -19.58 59.82 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.17 -0.468 . . . . 27.75 110.617 -179.946 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 2.8 m-20 -85.32 -15.23 44.02 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.285 -0.416 . . . . 14.13 110.648 -179.937 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 55.64 34.76 60.88 Favored Glycine 0 CA--C 1.524 0.648 0 N-CA-C 110.939 -0.864 . . . . 11.51 110.939 179.976 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -82.54 -25.8 33.04 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.756 0.312 . . . . 14.28 110.599 -179.986 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 105.18 -4.97 41.41 Favored Glycine 0 CA--C 1.523 0.59 0 N-CA-C 110.92 -0.872 . . . . 9.47 110.92 -179.974 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 26' ' ' THR . . . . . 0.561 HG22 ' O ' ' A' ' 63' ' ' ILE . 0.2 OUTLIER -141.79 152.55 43.84 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.755 0.312 . . . . 16.41 110.52 -179.965 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 27' ' ' ILE . . . . . 0.507 ' CD1' ' OD2' ' A' ' 20' ' ' ASP . 4.6 mm -120.24 127.71 75.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.239 -0.437 . . . . 8.03 110.547 -179.942 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 28' ' ' THR . . . . . 0.412 ' OG1' ' N ' ' A' ' 29' ' ' THR . 0.1 OUTLIER -111.05 171.21 7.6 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.168 -0.469 . . . . 7.8 110.556 179.944 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 29' ' ' THR . . . . . 0.414 HG22 ' H ' ' A' ' 29' ' ' THR . 0.5 OUTLIER -67.59 -16.2 64.05 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.241 -0.436 . . . . 10.04 110.577 179.985 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -77.11 -38.28 52.49 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.168 -0.469 . . . . 16.38 110.595 -179.976 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 51.9 mt-10 -81.33 -31.59 33.41 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.21 -0.45 . . . . 5.59 110.533 180.0 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 32' ' ' LEU . . . . . 0.533 HD13 ' O ' ' A' ' 32' ' ' LEU . 0.2 OUTLIER -63.87 -59.82 4.05 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.149 -0.478 . . . . 7.72 110.545 179.978 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -45.42 -49.74 10.82 Favored Glycine 0 CA--C 1.525 0.673 0 N-CA-C 110.894 -0.882 . . . . 6.93 110.894 179.982 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -46.41 -41.46 13.74 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.8 0.333 . . . . 9.63 110.537 -179.983 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 89.2 t -60.75 -46.15 96.54 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.199 -0.455 . . . . 7.07 110.481 179.98 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 36' ' ' MET . . . . . . . . . . . . . 21.9 mmt -60.64 -30.88 70.14 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.225 -0.443 . . . . 10.12 110.553 179.929 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 1.2 tpt85 -62.78 -24.02 67.52 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.157 -0.474 . . . . 9.87 110.501 179.978 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 1.3 m -82.09 -23.44 35.74 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.166 -0.47 . . . . 8.15 110.484 179.957 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 9.7 mt -91.8 14.69 14.69 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.207 -0.451 . . . . 12.78 110.516 179.953 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 64.39 26.95 71.05 Favored Glycine 0 CA--C 1.525 0.664 0 N-CA-C 110.916 -0.874 . . . . 9.6 110.916 179.982 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 12.3 mt-30 -101.45 155.27 18.16 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.824 0.345 . . . . 20.35 110.587 -179.968 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 5.0 m-20 -127.71 81.21 70.66 Favored Pre-proline 0 C--N 1.329 -0.315 0 CA-C-N 116.208 -0.451 . . . . 10.22 110.5 -179.993 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 59.5 Cg_endo -77.93 144.41 21.53 Favored 'Trans proline' 0 C--N 1.306 -1.665 0 C-N-CA 122.76 2.307 . . . . 8.63 112.245 -179.912 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 44' ' ' THR . . . . . 0.411 ' O ' ' N ' ' A' ' 47' ' ' GLU . 16.5 p -94.1 151.34 19.57 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.125 -0.489 . . . . 4.83 110.586 179.996 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 13.3 tt0 -46.65 -48.77 19.92 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.23 -0.441 . . . . 16.78 110.547 179.997 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -58.7 -18.96 35.63 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.199 -0.455 . . . . 4.8 110.531 179.972 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 47' ' ' GLU . . . . . 0.411 ' N ' ' O ' ' A' ' 44' ' ' THR . 0.3 OUTLIER -82.51 -57.27 3.42 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.211 -0.449 . . . . 6.18 110.554 179.997 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 17.9 mt -58.01 -54.94 41.32 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.177 -0.465 . . . . 6.65 110.564 179.973 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 35.2 tt0 -50.14 -44.38 52.4 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.222 -0.445 . . . . 7.05 110.557 179.981 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 12.6 t0 -74.27 -31.23 62.46 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.243 -0.435 . . . . 6.72 110.557 -179.997 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 51' ' ' MET . . . . . . . . . . . . . 13.8 tpt -66.65 -46.82 74.49 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.201 -0.454 . . . . 13.6 110.482 -179.993 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 52' ' ' ILE . . . . . 0.449 ' HA ' HD13 ' A' ' 52' ' ' ILE . 38.5 mm -50.63 -48.18 27.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.195 -0.457 . . . . 8.71 110.523 179.997 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 2.9 t30 -50.54 -46.35 57.38 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.236 -0.438 . . . . 9.04 110.598 179.999 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 1.3 tt0 -51.2 -30.02 15.83 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.226 -0.443 . . . . 23.58 110.539 -179.919 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 55' ' ' VAL . . . . . 0.588 HG22 ' HG3' ' A' ' 71' ' ' MET . 59.7 t -95.0 -19.09 6.53 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.216 -0.447 . . . . 7.6 110.557 179.991 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 56' ' ' ASP . . . . . 0.568 ' OD1' ' O ' ' A' ' 62' ' ' THR . 0.5 OUTLIER -99.49 111.94 24.22 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.196 -0.456 . . . . 12.55 110.565 -179.986 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -80.97 -23.06 39.05 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.214 -0.448 . . . . 15.13 110.562 179.995 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 58' ' ' ASP . . . . . 0.611 ' N ' ' OD1' ' A' ' 58' ' ' ASP . 0.6 OUTLIER -94.82 -10.38 31.57 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.183 -0.462 . . . . 14.32 110.611 179.966 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 55.62 45.02 86.11 Favored Glycine 0 CA--C 1.525 0.661 0 N-CA-C 110.892 -0.883 . . . . 13.64 110.892 179.95 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 60' ' ' ASP . . . . . 0.564 ' OD1' ' OD1' ' A' ' 58' ' ' ASP . 1.9 p-10 -88.17 -25.5 22.9 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.886 0.375 . . . . 13.27 110.603 179.946 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 105.63 18.95 10.89 Favored Glycine 0 CA--C 1.525 0.668 0 N-CA-C 110.912 -0.875 . . . . 11.65 110.912 179.983 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 62' ' ' THR . . . . . 0.568 ' O ' ' OD1' ' A' ' 56' ' ' ASP . 0.7 OUTLIER -148.89 153.75 38.47 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.774 0.321 . . . . 11.55 110.584 179.996 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 63' ' ' ILE . . . . . 0.561 ' O ' HG22 ' A' ' 26' ' ' THR . 94.6 mt -120.84 125.69 74.35 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.224 -0.444 . . . . 10.06 110.607 -179.993 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 64' ' ' ASP . . . . . 0.637 ' OD2' ' N ' ' A' ' 64' ' ' ASP . 0.0 OUTLIER -94.3 -176.05 3.84 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.214 -0.448 . . . . 11.33 110.5 -179.999 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 65' ' ' PHE . . . . . 0.52 ' N ' ' HD2' ' A' ' 66' ' ' PRO . 1.4 t80 -70.25 -56.83 6.48 Favored Pre-proline 0 C--N 1.33 -0.269 0 CA-C-N 116.225 -0.443 . . . . 7.4 110.943 179.997 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 66' ' ' PRO . . . . . 0.52 ' HD2' ' N ' ' A' ' 65' ' ' PHE . 12.3 Cg_endo -57.5 -53.35 4.75 Favored 'Trans proline' 0 N--CA 1.493 1.497 0 C-N-CA 122.213 1.942 . . . . 6.66 111.971 179.65 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 67' ' ' GLU . . . . . 0.574 ' OE2' ' OD1' ' A' ' 64' ' ' ASP . 68.4 mt-10 -55.59 -17.74 6.19 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.218 -0.446 . . . . 7.44 110.404 179.858 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 68' ' ' PHE . . . . . . . . . . . . . 36.4 t80 -81.45 -25.29 36.23 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.123 -0.49 . . . . 8.58 110.529 179.96 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 69' ' ' LEU . . . . . 0.799 HD21 ' HB3' ' A' ' 12' ' ' PHE . 5.6 mt -83.26 -45.73 13.48 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.244 -0.435 . . . . 9.43 110.362 179.699 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 70' ' ' THR . . . . . 0.596 ' CG2' ' N ' ' A' ' 71' ' ' MET . 2.4 t -56.34 -47.51 78.64 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.12 -0.491 . . . . 7.53 110.543 179.976 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 71' ' ' MET . . . . . 0.626 ' C ' ' SD ' ' A' ' 71' ' ' MET . 0.8 OUTLIER -49.62 -46.75 49.7 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.173 -0.467 . . . . 11.86 110.491 179.864 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 72' ' ' MET . . . . . 0.572 ' N ' ' SD ' ' A' ' 71' ' ' MET . 0.0 OUTLIER -78.0 -49.84 13.29 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.213 -0.448 . . . . 22.32 110.518 -179.976 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -56.87 -54.64 44.15 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.263 -0.426 . . . . 9.15 110.529 179.97 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 74' ' ' ARG . . . . . 0.533 ' O ' ' N ' ' A' ' 77' ' ' LYS . 35.8 mmt-85 -45.49 -44.21 12.28 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.162 -0.472 . . . . 13.8 110.48 -179.985 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -45.17 -43.58 10.12 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.249 -0.432 . . . . 25.18 110.517 179.965 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 76' ' ' MET . . . . . . . . . . . . . 85.8 mtp -76.57 -11.75 59.91 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.16 -0.473 . . . . 34.79 110.544 -179.985 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 77' ' ' LYS . . . . . 0.533 ' N ' ' O ' ' A' ' 74' ' ' ARG . 23.3 tttm -102.22 39.93 1.42 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.211 -0.45 . . . . 37.65 110.631 -179.997 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 78' ' ' ASP . . . . . 0.408 ' C ' ' OD1' ' A' ' 78' ' ' ASP . 18.9 p30 -174.7 -168.07 0.34 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.182 -0.463 . . . . 42.58 110.541 179.955 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 7.5 t -73.25 164.53 26.54 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.213 -0.448 . . . . 38.4 110.52 -179.978 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 3.9 m-20 -130.58 152.09 50.33 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.19 -0.459 . . . . 37.51 110.579 -179.99 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 1.5 m -103.79 137.76 41.35 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.196 -0.456 . . . . 33.12 110.565 179.989 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 82' ' ' GLU . . . . . 0.461 ' O ' ' CG1' ' A' ' 85' ' ' ILE . 16.6 mt-10 -80.95 -15.25 56.76 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.226 -0.443 . . . . 34.28 110.536 -179.982 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -69.45 -35.65 75.86 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.26 -0.427 . . . . 30.91 110.56 -179.951 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 15.6 tm-20 -64.5 -60.42 3.16 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.241 -0.436 . . . . 22.86 110.538 -179.996 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 85' ' ' ILE . . . . . 0.461 ' CG1' ' O ' ' A' ' 82' ' ' GLU . 5.5 pt -43.74 -27.69 0.36 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.142 -0.481 . . . . 19.17 110.576 179.964 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 22.1 ttp85 -70.75 -56.23 6.84 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.162 -0.472 . . . . 26.85 110.585 179.971 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 87' ' ' GLU . . . . . 0.646 ' O ' HG23 ' A' ' 91' ' ' VAL . 15.7 mt-10 -59.12 -61.89 2.3 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.221 -0.445 . . . . 16.48 110.611 -179.974 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 88' ' ' ALA . . . . . 0.426 ' O ' ' CD2' ' A' ' 92' ' ' PHE . . . -43.6 -40.98 4.35 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.194 -0.457 . . . . 9.91 110.652 -179.969 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 89' ' ' PHE . . . . . 0.471 ' CE1' HD11 ' A' ' 100' ' ' ILE . 34.5 t80 -70.7 -62.9 1.22 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.188 -0.46 . . . . 8.53 110.546 179.977 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 32.4 ttp180 -51.11 -18.7 0.9 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.23 -0.441 . . . . 17.58 110.588 179.942 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 91' ' ' VAL . . . . . 0.646 HG23 ' O ' ' A' ' 87' ' ' GLU . 37.6 t -74.19 -22.52 18.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.148 -0.478 . . . . 7.82 110.644 179.974 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 92' ' ' PHE . . . . . 0.495 ' CD1' HG11 ' A' ' 108' ' ' VAL . 65.4 m-85 -95.33 -22.84 17.49 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.219 -0.446 . . . . 9.11 110.62 -179.936 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 93' ' ' ASP . . . . . 0.575 ' OD1' ' N ' ' A' ' 99' ' ' TYR . 1.5 m-20 -99.02 68.69 1.71 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.274 -0.421 . . . . 11.11 110.692 -179.812 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -48.68 -18.69 0.28 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.297 -0.41 . . . . 14.57 111.022 -179.719 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . 49.5 m-20 -76.42 -12.48 60.06 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.864 0.364 . . . . 10.2 110.614 -179.862 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 60.45 25.67 63.26 Favored Glycine 0 CA--C 1.525 0.703 0 N-CA-C 110.955 -0.858 . . . . 6.24 110.955 -179.89 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 97' ' ' ASN . . . . . 0.677 ' O ' ' CD2' ' A' ' 99' ' ' TYR . 45.4 p-10 -95.58 -3.87 45.62 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.879 0.371 . . . . 7.56 110.326 179.812 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . 67.51 29.29 73.91 Favored Glycine 0 CA--C 1.525 0.679 0 N-CA-C 110.972 -0.851 . . . . 7.08 110.972 179.931 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 99' ' ' TYR . . . . . 0.677 ' CD2' ' O ' ' A' ' 97' ' ' ASN . 67.1 m-85 -148.36 135.01 19.82 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.778 0.323 . . . . 9.0 110.559 179.882 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 100' ' ' ILE . . . . . 0.471 HD11 ' CE1' ' A' ' 89' ' ' PHE . 0.0 OUTLIER -122.23 117.35 51.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.268 -0.423 . . . . 9.29 110.494 179.987 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 101' ' ' SER . . . . . 0.491 ' O ' ' N ' ' A' ' 103' ' ' ALA . 1.4 t -89.41 151.7 21.89 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.278 -0.419 . . . . 7.02 110.585 179.889 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -43.66 -19.41 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.255 -0.43 . . . . 6.41 110.641 -179.949 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 103' ' ' ALA . . . . . 0.491 ' N ' ' O ' ' A' ' 101' ' ' SER . . . -81.75 -39.49 24.09 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.19 -0.459 . . . . 5.01 110.577 -179.944 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 104' ' ' GLU . . . . . 0.448 ' N ' ' O ' ' A' ' 101' ' ' SER . 26.7 mt-10 -75.14 -55.02 6.15 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.223 -0.444 . . . . 6.84 110.654 -179.975 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 105' ' ' LEU . . . . . 0.409 ' O ' HD23 ' A' ' 105' ' ' LEU . 0.9 OUTLIER -47.76 -48.24 30.11 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.245 -0.434 . . . . 4.99 110.584 -179.922 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 106' ' ' ARG . . . . . 0.517 ' O ' ' OG1' ' A' ' 110' ' ' THR . 12.3 ttp180 -67.01 -19.96 65.79 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.184 -0.462 . . . . 15.24 110.592 179.996 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 107' ' ' HIS . . . . . . . . . . . . . 8.3 t-80 -74.61 -40.85 61.3 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.265 -0.425 . . . . 15.69 110.653 -179.947 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 108' ' ' VAL . . . . . 0.495 HG11 ' CD1' ' A' ' 92' ' ' PHE . 25.7 t -78.91 -62.61 1.33 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.25 -0.432 . . . . 12.28 110.586 -179.945 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 109' ' ' MET . . . . . 0.44 ' HA ' HD23 ' A' ' 112' ' ' LEU . 1.8 tpt -49.73 -16.14 0.22 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.216 -0.447 . . . . 9.53 110.645 -179.885 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 110' ' ' THR . . . . . 0.517 ' OG1' ' O ' ' A' ' 106' ' ' ARG . 1.4 m -79.55 -44.94 20.17 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.285 -0.416 . . . . 11.87 110.711 -179.874 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 111' ' ' ASN . . . . . 0.654 ' ND2' ' O ' ' A' ' 111' ' ' ASN . 0.4 OUTLIER -62.67 -13.88 37.26 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.333 -0.394 . . . . 21.65 110.759 -179.784 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 112' ' ' LEU . . . . . 0.44 HD23 ' HA ' ' A' ' 109' ' ' MET . 3.8 mm? -50.03 -32.55 15.66 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.319 -0.401 . . . . 19.55 110.595 -179.973 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . 115.01 7.0 18.03 Favored Glycine 0 CA--C 1.525 0.697 0 N-CA-C 110.918 -0.873 . . . . 19.66 110.918 -179.982 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 7.9 tt0 -124.61 132.78 53.41 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.662 0.268 . . . . 25.55 110.366 179.794 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 13.9 tttp -82.23 114.1 20.5 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.405 -0.362 . . . . 23.26 110.548 179.974 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 116' ' ' LEU . . . . . . . . . . . . . 1.5 mt -107.02 156.17 19.03 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.251 -0.431 . . . . 23.07 110.6 179.993 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 117' ' ' THR . . . . . . . . . . . . . 11.6 p -78.78 148.71 32.84 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.179 -0.464 . . . . 19.41 110.586 179.975 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 118' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -77.39 -37.36 52.16 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.225 -0.443 . . . . 18.08 110.589 -179.953 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 119' ' ' GLU . . . . . . . . . . . . . 18.2 pt-20 -61.04 -28.73 69.27 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.196 -0.456 . . . . 20.16 110.572 -179.958 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 120' ' ' GLU . . . . . 0.442 ' HG2' ' SD ' ' A' ' 124' ' ' MET . 33.6 tt0 -83.38 -40.17 19.73 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.171 -0.468 . . . . 14.19 110.578 -179.953 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 121' ' ' VAL . . . . . 0.439 HG11 ' HB2' ' A' ' 106' ' ' ARG . 69.2 t -68.99 -29.0 41.76 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.174 -0.466 . . . . 14.97 110.588 -179.964 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 122' ' ' ASP . . . . . . . . . . . . . 1.5 m-20 -83.06 -54.57 4.95 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.251 -0.431 . . . . 20.12 110.629 179.981 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 123' ' ' GLU . . . . . . . . . . . . . 16.2 tt0 -54.87 -45.12 74.57 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.201 -0.454 . . . . 15.72 110.635 179.985 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 124' ' ' MET . . . . . 0.442 ' SD ' ' HG2' ' A' ' 120' ' ' GLU . 12.1 mtp -57.19 -62.05 2.03 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.163 -0.471 . . . . 9.75 110.603 -179.941 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 125' ' ' ILE . . . . . 0.571 ' O ' ' OD2' ' A' ' 129' ' ' ASP . 65.2 mt -54.61 -41.77 57.02 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.19 -0.459 . . . . 11.99 110.582 179.996 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 126' ' ' ARG . . . . . 0.45 ' HB2' ' NH2' ' A' ' 126' ' ' ARG . 0.0 OUTLIER -66.17 -19.31 65.79 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.192 -0.458 . . . . 27.23 110.579 179.958 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 127' ' ' GLU . . . . . . . . . . . . . 9.2 tp10 -77.81 -55.77 5.05 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.242 -0.436 . . . . 15.5 110.642 -179.91 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 128' ' ' ALA . . . . . . . . . . . . . . . -73.51 -13.85 61.12 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.232 -0.44 . . . . 10.5 110.653 -179.879 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 129' ' ' ASP . . . . . 0.571 ' OD2' ' O ' ' A' ' 125' ' ' ILE . 11.7 m-20 -70.57 92.8 0.86 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.248 -0.433 . . . . 10.86 110.587 -179.968 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 130' ' ' ILE . . . . . 0.525 ' N ' ' OE1' ' A' ' 140' ' ' GLU . 51.6 mt -48.7 -40.01 11.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.14 -0.482 . . . . 12.26 110.573 -179.959 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 131' ' ' ASP . . . . . . . . . . . . . 2.0 m-20 -85.53 -17.75 35.46 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.193 -0.458 . . . . 7.79 110.508 179.963 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 132' ' ' GLY . . . . . . . . . . . . . . . 55.2 43.27 83.89 Favored Glycine 0 CA--C 1.525 0.669 0 N-CA-C 110.916 -0.874 . . . . 3.93 110.916 179.956 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 133' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -96.35 0.69 51.03 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.844 0.354 . . . . 9.56 110.598 179.987 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 134' ' ' GLY . . . . . . . . . . . . . . . 90.21 4.07 71.86 Favored Glycine 0 CA--C 1.525 0.683 0 N-CA-C 110.929 -0.868 . . . . 7.32 110.929 179.996 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 135' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -135.86 155.17 50.73 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.796 0.332 . . . . 22.05 110.552 -179.953 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 136' ' ' VAL . . . . . 0.445 HG22 ' OD2' ' A' ' 129' ' ' ASP . 47.1 t -110.16 141.96 23.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.162 -0.472 . . . . 10.34 110.57 -179.991 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 137' ' ' ASN . . . . . 0.469 ' N ' ' ND2' ' A' ' 137' ' ' ASN . 0.6 OUTLIER -109.35 159.67 16.8 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.164 -0.471 . . . . 12.02 110.361 179.719 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 138' ' ' TYR . . . . . . . . . . . . . 15.9 t80 -55.22 -25.37 32.68 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.356 -0.384 . . . . 8.75 110.56 179.98 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 139' ' ' GLU . . . . . . . . . . . . . 25.6 tt0 -70.66 -37.97 73.75 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.155 -0.475 . . . . 22.33 110.617 179.931 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 140' ' ' GLU . . . . . 0.525 ' OE1' ' N ' ' A' ' 130' ' ' ILE . 7.2 mt-10 -63.62 -41.66 98.26 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.197 -0.456 . . . . 13.45 110.527 179.962 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 141' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER -50.12 -46.73 54.04 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.157 -0.474 . . . . 8.25 110.502 -179.986 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 142' ' ' VAL . . . . . 0.411 ' O ' ' N ' ' A' ' 145' ' ' MET . 75.2 t -67.5 -44.04 86.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.161 -0.472 . . . . 10.15 110.573 179.949 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 143' ' ' GLN . . . . . 0.426 ' O ' ' OG1' ' A' ' 146' ' ' THR . 8.5 mm100 -43.43 -56.77 3.41 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.172 -0.467 . . . . 8.24 110.568 179.962 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 144' ' ' MET . . . . . . . . . . . . . 0.4 OUTLIER -54.24 -29.93 48.42 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.193 -0.458 . . . . 6.68 110.505 179.975 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 145' ' ' MET . . . . . 0.411 ' N ' ' O ' ' A' ' 142' ' ' VAL . 0.0 OUTLIER -64.9 -2.86 2.87 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.154 -0.476 . . . . 13.37 110.543 -179.991 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 146' ' ' THR . . . . . 0.426 ' OG1' ' O ' ' A' ' 143' ' ' GLN . 62.8 p -109.37 -14.36 14.45 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.157 -0.474 . . . . 10.78 110.515 -179.986 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 147' ' ' ALA . . . . . . . . . . . . . . . -69.12 127.73 34.14 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.211 -0.45 . . . . 18.52 110.579 -179.967 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 148' ' ' LYS . . . . . . . . . . . . . 39.1 tttt . . . . . 0 C--O 1.22 -0.465 0 CA-C-O 117.962 -1.018 . . . . 23.42 110.545 -179.982 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 401' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 402' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 403' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 404' ' ' ' TB' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 36.1 tt0 . . . . . 0 C--O 1.231 0.107 0 CA-C-O 120.81 0.338 . . . . 23.46 110.566 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 4' ' ' LEU . . . . . 0.516 ' O ' HD11 ' A' ' 9' ' ' ILE . 2.9 tp -77.73 126.97 31.69 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.191 -0.458 . . . . 14.38 110.566 179.982 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 57.2 p -69.88 151.11 46.06 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.205 -0.452 . . . . 7.34 110.543 -179.976 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 3.9 mm-40 -54.5 -51.18 65.9 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.19 -0.459 . . . . 7.12 110.527 -179.973 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 51.5 mt-10 -47.65 -41.97 23.47 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.186 -0.461 . . . . 6.85 110.569 179.99 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 2.1 tt0 -76.75 -43.18 38.13 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.23 -0.441 . . . . 15.1 110.594 179.938 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 9' ' ' ILE . . . . . 0.516 HD11 ' O ' ' A' ' 4' ' ' LEU . 88.3 mt -60.48 -28.92 43.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.19 -0.459 . . . . 4.72 110.533 -179.992 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -73.75 -59.49 2.69 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.21 -0.45 . . . . 6.68 110.564 -179.989 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 60.3 mt-10 -49.18 -31.96 9.4 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.197 -0.456 . . . . 18.49 110.589 179.996 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 2.1 m-85 -62.58 -50.05 72.84 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.2 -0.455 . . . . 14.89 110.548 179.983 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 6.5 tttt -47.59 -31.87 4.9 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.169 -0.469 . . . . 18.39 110.526 -179.98 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 15.5 tt0 -61.15 -56.1 24.68 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.221 -0.445 . . . . 22.76 110.528 179.998 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -45.57 -35.46 3.97 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.202 -0.454 . . . . 5.67 110.503 -179.984 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 16' ' ' PHE . . . . . 0.453 ' CE2' ' CB ' ' A' ' 20' ' ' ASP . 10.8 t80 -59.7 -60.12 4.35 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.167 -0.469 . . . . 13.28 110.497 179.999 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -48.93 -21.53 0.68 Allowed 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.178 -0.465 . . . . 12.16 110.534 179.978 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -78.55 -37.32 43.05 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.148 -0.478 . . . . 17.89 110.497 179.985 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 9.2 m-85 -90.01 -50.2 6.15 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.257 -0.429 . . . . 9.14 110.556 179.986 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 20' ' ' ASP . . . . . 0.46 ' OD2' ' O ' ' A' ' 26' ' ' THR . 15.7 t70 -85.38 83.24 8.02 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.22 -0.445 . . . . 7.47 110.507 179.971 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 17.1 pttt -75.14 -19.67 59.77 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.188 -0.46 . . . . 27.75 110.69 -179.983 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 22' ' ' ASP . . . . . 0.513 ' OD2' ' OE1' ' A' ' 31' ' ' GLU . 29.2 m-20 -73.04 -15.34 61.52 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.213 -0.449 . . . . 14.13 110.616 -179.943 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 59.58 27.98 64.49 Favored Glycine 0 CA--C 1.525 0.663 0 N-CA-C 110.981 -0.847 . . . . 11.51 110.981 -179.907 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 4.0 m-20 -80.87 -29.52 35.72 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.775 0.322 . . . . 14.28 110.613 -179.962 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 105.17 7.91 37.02 Favored Glycine 0 CA--C 1.525 0.703 0 N-CA-C 110.874 -0.891 . . . . 9.47 110.874 -179.995 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 26' ' ' THR . . . . . 0.46 ' O ' ' OD2' ' A' ' 20' ' ' ASP . 72.9 p -148.04 142.08 25.96 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.814 0.34 . . . . 16.41 110.554 179.958 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 43.6 mt -102.97 123.43 56.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.206 -0.452 . . . . 8.03 110.612 179.952 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 28' ' ' THR . . . . . 0.488 HG23 ' H ' ' A' ' 31' ' ' GLU . 0.6 OUTLIER -105.86 169.11 8.67 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.213 -0.448 . . . . 7.8 110.586 -179.982 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 29' ' ' THR . . . . . 0.424 HG23 HG13 ' A' ' 52' ' ' ILE . 6.5 m -70.65 -16.15 62.79 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.164 -0.471 . . . . 10.04 110.571 179.975 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 26.3 mmtt -80.62 -34.28 35.15 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.182 -0.463 . . . . 16.38 110.575 -179.993 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 31' ' ' GLU . . . . . 0.513 ' OE1' ' OD2' ' A' ' 22' ' ' ASP . 3.7 tt0 -85.18 -28.25 25.59 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.205 -0.452 . . . . 5.59 110.54 179.992 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 7.6 tp -64.11 -59.81 4.0 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.111 -0.495 . . . . 7.72 110.547 179.98 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -50.19 -46.58 43.06 Favored Glycine 0 CA--C 1.525 0.663 0 N-CA-C 110.867 -0.893 . . . . 6.93 110.867 179.985 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 2.7 m -52.04 -40.87 61.76 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.808 0.337 . . . . 9.63 110.544 179.928 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 48.0 t -63.7 -48.62 85.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.217 -0.447 . . . . 7.07 110.511 179.99 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 36' ' ' MET . . . . . . . . . . . . . 4.1 mtt -64.38 -27.77 69.23 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.186 -0.461 . . . . 10.12 110.501 179.985 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 1.3 mtp180 -62.9 -27.48 69.4 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.214 -0.448 . . . . 9.87 110.52 179.925 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 1.7 t -80.31 -18.71 48.41 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.169 -0.469 . . . . 8.15 110.418 179.981 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 39' ' ' LEU . . . . . 0.421 ' N ' HD12 ' A' ' 39' ' ' LEU . 8.8 mp -93.12 15.13 15.94 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.166 -0.47 . . . . 12.78 110.504 179.924 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 66.71 28.48 73.78 Favored Glycine 0 CA--C 1.525 0.66 0 N-CA-C 110.923 -0.871 . . . . 9.6 110.923 179.981 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 37.1 mt-30 -104.38 150.53 24.42 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.811 0.339 . . . . 20.35 110.54 -179.952 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 18.4 m120 -140.06 80.07 21.09 Favored Pre-proline 0 C--N 1.329 -0.289 0 CA-C-N 116.184 -0.462 . . . . 10.22 110.516 179.942 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 43' ' ' PRO . . . . . 0.487 ' CG ' HD13 ' A' ' 48' ' ' LEU . 60.2 Cg_endo -78.05 159.9 30.29 Favored 'Trans proline' 0 C--N 1.307 -1.655 0 C-N-CA 122.792 2.328 . . . . 8.63 112.23 -179.985 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 44' ' ' THR . . . . . 0.474 HG22 ' H ' ' A' ' 46' ' ' ALA . 63.4 m -94.22 147.34 23.28 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.174 -0.467 . . . . 4.83 110.519 179.962 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 45' ' ' GLU . . . . . 0.401 ' CD ' ' H ' ' A' ' 45' ' ' GLU . 9.5 mp0 -46.17 -20.91 0.12 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.246 -0.434 . . . . 16.78 110.535 -179.99 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 46' ' ' ALA . . . . . 0.474 ' H ' HG22 ' A' ' 44' ' ' THR . . . -83.64 -40.58 18.81 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.167 -0.469 . . . . 4.8 110.589 179.98 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 27.0 mm-40 -69.24 -60.78 2.12 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.228 -0.442 . . . . 6.18 110.608 179.999 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 48' ' ' LEU . . . . . 0.487 HD13 ' CG ' ' A' ' 43' ' ' PRO . 5.8 tp -50.07 -35.62 26.04 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.153 -0.476 . . . . 6.65 110.615 -179.981 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 24.2 tt0 -66.14 -48.04 72.12 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.232 -0.44 . . . . 7.05 110.553 -179.98 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 50' ' ' ASP . . . . . 0.404 ' CG ' ' O ' ' A' ' 46' ' ' ALA . 16.2 m-20 -58.67 -25.95 63.32 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.188 -0.46 . . . . 6.72 110.614 -179.987 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 51' ' ' MET . . . . . . . . . . . . . 4.5 tpt -76.38 -58.91 3.01 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.193 -0.458 . . . . 13.6 110.57 179.999 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 52' ' ' ILE . . . . . 0.424 HG13 HG23 ' A' ' 29' ' ' THR . 3.9 mm -49.02 -43.32 15.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.171 -0.468 . . . . 8.71 110.542 179.983 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 18.6 m120 -49.89 -51.03 43.7 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.231 -0.441 . . . . 9.04 110.52 -179.977 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 3.7 mm-40 -51.21 -27.71 9.62 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.2 -0.455 . . . . 23.58 110.623 -179.922 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 55' ' ' VAL . . . . . 0.877 HG22 ' SD ' ' A' ' 71' ' ' MET . 11.9 t -95.01 -20.52 6.01 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.226 -0.443 . . . . 7.6 110.62 179.951 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 56' ' ' ASP . . . . . 0.567 ' OD1' ' O ' ' A' ' 62' ' ' THR . 0.6 OUTLIER -107.63 87.97 2.63 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.197 -0.456 . . . . 12.55 110.521 -179.972 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -79.07 -28.52 43.14 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.186 -0.461 . . . . 15.13 110.568 179.97 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 5.3 m-20 -85.86 2.3 46.43 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.181 -0.463 . . . . 14.32 110.555 179.992 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 52.46 17.25 4.18 Favored Glycine 0 CA--C 1.525 0.695 0 N-CA-C 110.917 -0.873 . . . . 13.64 110.917 -179.989 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 60' ' ' ASP . . . . . 0.406 ' OD1' ' N ' ' A' ' 60' ' ' ASP . 3.8 p-10 -62.31 -22.39 66.01 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.859 0.362 . . . . 13.27 110.59 -179.992 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 92.78 -1.41 71.35 Favored Glycine 0 CA--C 1.525 0.695 0 N-CA-C 110.963 -0.855 . . . . 11.65 110.963 -179.983 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 62' ' ' THR . . . . . 0.567 ' O ' ' OD1' ' A' ' 56' ' ' ASP . 0.3 OUTLIER -129.26 154.58 46.68 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.837 0.351 . . . . 11.55 110.539 -179.971 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 63' ' ' ILE . . . . . . . . . . . . . 81.7 mt -106.79 141.33 22.27 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.169 -0.469 . . . . 10.06 110.567 179.982 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 64' ' ' ASP . . . . . 0.558 ' OD2' ' N ' ' A' ' 64' ' ' ASP . 0.2 OUTLIER -99.84 172.37 7.28 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.217 -0.447 . . . . 11.33 110.565 179.983 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 65' ' ' PHE . . . . . 0.555 ' CD1' ' C ' ' A' ' 65' ' ' PHE . 0.3 OUTLIER -70.97 -56.71 5.49 Favored Pre-proline 0 C--N 1.328 -0.332 0 CA-C-N 116.264 -0.426 . . . . 7.4 110.84 179.965 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 66' ' ' PRO . . . . . 0.508 ' HD2' ' N ' ' A' ' 65' ' ' PHE . 18.9 Cg_endo -62.28 -40.81 38.13 Favored 'Trans proline' 0 N--CA 1.494 1.52 0 C-N-CA 122.21 1.94 . . . . 6.66 111.933 179.724 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 67' ' ' GLU . . . . . 0.468 ' OE1' ' OD1' ' A' ' 64' ' ' ASP . 38.5 mt-10 -64.17 -14.76 57.34 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.152 -0.476 . . . . 7.44 110.349 179.848 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 68' ' ' PHE . . . . . . . . . . . . . 45.7 t80 -79.58 -25.35 41.57 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.104 -0.498 . . . . 8.58 110.457 179.941 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 69' ' ' LEU . . . . . 0.462 HD12 ' N ' ' A' ' 69' ' ' LEU . 6.6 mp -83.21 -41.29 18.59 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.177 -0.465 . . . . 9.43 110.437 179.704 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 70' ' ' THR . . . . . 0.561 ' CG2' ' N ' ' A' ' 71' ' ' MET . 1.2 t -61.13 -44.38 97.42 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.147 -0.479 . . . . 7.53 110.528 -179.924 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 71' ' ' MET . . . . . 0.877 ' SD ' HG22 ' A' ' 55' ' ' VAL . 0.0 OUTLIER -53.05 -44.92 67.8 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.248 -0.433 . . . . 11.86 110.506 179.919 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 72' ' ' MET . . . . . 0.617 ' SD ' ' C ' ' A' ' 72' ' ' MET . 0.0 OUTLIER -80.67 -47.36 14.15 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.18 -0.464 . . . . 22.32 110.585 179.96 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -57.69 -53.85 53.48 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.187 -0.461 . . . . 9.15 110.595 179.951 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 41.0 ttt180 -45.37 -51.58 11.05 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.2 -0.454 . . . . 13.8 110.536 -179.952 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 75' ' ' LYS . . . . . 0.494 ' O ' ' OD1' ' A' ' 78' ' ' ASP . 19.8 mmtt -43.91 -36.84 2.58 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.202 -0.454 . . . . 25.18 110.549 179.975 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 76' ' ' MET . . . . . 0.483 ' C ' ' H ' ' A' ' 78' ' ' ASP . 11.7 mtt -83.89 -35.48 24.08 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.211 -0.449 . . . . 34.79 110.585 -179.986 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 13.4 tptt -70.94 39.73 0.06 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.177 -0.465 . . . . 37.65 110.54 -179.975 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 78' ' ' ASP . . . . . 0.494 ' OD1' ' O ' ' A' ' 75' ' ' LYS . 19.0 p30 -176.15 -160.32 0.07 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.238 -0.437 . . . . 42.58 110.608 179.983 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 6.5 p -78.04 155.68 30.52 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.2 -0.454 . . . . 38.4 110.525 -179.992 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 3.3 p-10 -112.71 150.17 31.9 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.194 -0.457 . . . . 37.51 110.573 -179.996 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 50.9 m -109.25 138.03 46.23 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.254 -0.43 . . . . 33.12 110.548 -179.978 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 51.4 mt-10 -84.82 -10.42 57.19 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.201 -0.454 . . . . 34.28 110.568 -179.976 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 83' ' ' GLU . . . . . 0.419 ' HG3' ' H ' ' A' ' 84' ' ' GLU . 0.3 OUTLIER -63.95 -39.92 95.25 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.177 -0.465 . . . . 30.91 110.654 -179.96 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 84' ' ' GLU . . . . . 0.419 ' H ' ' HG3' ' A' ' 83' ' ' GLU . 0.0 OUTLIER -83.0 -52.45 6.66 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.23 -0.441 . . . . 22.86 110.588 179.962 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 85' ' ' ILE . . . . . . . . . . . . . 13.4 mt -48.07 -20.35 0.42 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.14 -0.482 . . . . 19.17 110.534 -179.96 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 32.2 ttp180 -81.2 -55.25 4.87 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.205 -0.452 . . . . 26.85 110.542 -179.99 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 20.0 mt-10 -61.72 -47.43 85.27 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.223 -0.444 . . . . 16.48 110.571 -179.973 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -59.56 -33.37 71.33 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.191 -0.458 . . . . 9.91 110.597 -179.97 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 89' ' ' PHE . . . . . 0.417 ' O ' ' CD2' ' A' ' 89' ' ' PHE . 35.4 t80 -68.76 -26.3 65.16 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.208 -0.451 . . . . 8.53 110.623 -179.97 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 90' ' ' ARG . . . . . 0.443 ' HD3' ' N ' ' A' ' 90' ' ' ARG . 0.0 OUTLIER -76.9 -45.36 28.33 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.219 -0.446 . . . . 17.58 110.567 -179.988 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 91' ' ' VAL . . . . . . . . . . . . . 84.5 t -50.08 -18.29 0.54 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.244 -0.435 . . . . 7.82 110.562 -179.839 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 92' ' ' PHE . . . . . . . . . . . . . 51.6 m-85 -95.34 -42.65 8.41 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.231 -0.44 . . . . 9.11 110.538 179.846 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 93' ' ' ASP . . . . . 0.532 ' CG ' ' O ' ' A' ' 99' ' ' TYR . 21.0 t0 -95.46 69.08 3.02 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.094 -0.503 . . . . 11.11 110.524 179.998 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 7.3 pttt -48.19 -21.43 0.49 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.217 -0.447 . . . . 14.57 111.12 -179.644 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 95' ' ' ASP . . . . . 0.455 ' CG ' ' OD1' ' A' ' 97' ' ' ASN . 22.2 t0 -75.55 -13.33 60.35 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-O 120.817 0.341 . . . . 10.2 110.752 -179.761 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 60.26 22.19 58.02 Favored Glycine 0 CA--C 1.525 0.719 0 N-CA-C 110.998 -0.841 . . . . 6.24 110.998 -179.988 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 97' ' ' ASN . . . . . 0.455 ' OD1' ' CG ' ' A' ' 95' ' ' ASP . 11.6 m120 -82.69 2.65 32.58 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.879 0.371 . . . . 7.56 110.509 179.944 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . 70.83 4.17 53.25 Favored Glycine 0 CA--C 1.524 0.648 0 N-CA-C 110.984 -0.846 . . . . 7.08 110.984 179.947 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 99' ' ' TYR . . . . . 0.633 ' CD1' ' C ' ' A' ' 99' ' ' TYR . 1.5 p90 -139.14 145.89 39.97 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.801 0.334 . . . . 9.0 110.597 -179.958 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 12.9 mt -122.05 124.52 71.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.155 -0.475 . . . . 9.29 110.519 179.905 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 101' ' ' SER . . . . . 0.518 ' O ' ' N ' ' A' ' 103' ' ' ALA . 8.8 t -91.21 151.68 20.84 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.241 -0.436 . . . . 7.02 110.626 -179.927 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -42.6 -19.34 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.135 -0.484 . . . . 6.41 110.604 -179.879 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 103' ' ' ALA . . . . . 0.518 ' N ' ' O ' ' A' ' 101' ' ' SER . . . -77.77 -57.52 3.76 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.237 -0.438 . . . . 5.01 110.564 179.969 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 26.2 mt-10 -56.16 -46.09 79.42 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.178 -0.465 . . . . 6.84 110.643 -179.961 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 105' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -58.21 -47.88 82.09 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.247 -0.433 . . . . 4.99 110.569 179.983 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 106' ' ' ARG . . . . . 0.579 HH21 ' CG ' ' A' ' 118' ' ' ASP . 20.5 ttp180 -69.34 -22.67 63.74 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.184 -0.462 . . . . 15.24 110.498 -179.956 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 107' ' ' HIS . . . . . . . . . . . . . 0.6 OUTLIER -78.43 -43.99 25.9 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.232 -0.44 . . . . 15.69 110.547 179.959 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 108' ' ' VAL . . . . . 0.464 ' O ' HD23 ' A' ' 112' ' ' LEU . 64.2 t -80.42 -44.7 22.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.219 -0.446 . . . . 12.28 110.546 -179.966 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 109' ' ' MET . . . . . . . . . . . . . 2.7 tpt -66.13 -13.76 60.67 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.22 -0.445 . . . . 9.53 110.612 -179.927 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 110' ' ' THR . . . . . 0.519 ' OG1' ' O ' ' A' ' 106' ' ' ARG . 1.5 m -81.54 -39.36 24.76 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.262 -0.426 . . . . 11.87 110.564 179.98 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 111' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -72.36 -13.04 61.38 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.26 -0.427 . . . . 21.65 110.522 179.998 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 112' ' ' LEU . . . . . 0.464 HD23 ' O ' ' A' ' 108' ' ' VAL . 1.6 mm? -50.18 -27.3 5.66 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.221 -0.445 . . . . 19.55 110.588 -179.987 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . 115.29 -0.61 22.33 Favored Glycine 0 CA--C 1.524 0.646 0 N-CA-C 110.856 -0.898 . . . . 19.66 110.856 -179.867 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 114' ' ' GLU . . . . . 0.63 ' O ' HD23 ' A' ' 116' ' ' LEU . 24.5 mm-40 -124.41 128.83 49.64 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.725 0.298 . . . . 25.55 110.392 179.707 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 48.6 tttp -82.57 116.21 21.88 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.408 -0.36 . . . . 23.26 110.662 -179.923 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 116' ' ' LEU . . . . . 0.677 HD23 ' N ' ' A' ' 116' ' ' LEU . 0.1 OUTLIER -102.9 159.07 15.83 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.189 -0.459 . . . . 23.07 110.531 179.993 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 117' ' ' THR . . . . . 0.466 ' O ' HG23 ' A' ' 121' ' ' VAL . 0.4 OUTLIER -85.41 149.41 25.44 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.182 -0.463 . . . . 19.41 110.561 179.985 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 118' ' ' ASP . . . . . 0.579 ' CG ' HH21 ' A' ' 106' ' ' ARG . 72.9 m-20 -75.98 -26.1 56.45 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.239 -0.437 . . . . 18.08 110.537 -179.982 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 119' ' ' GLU . . . . . . . . . . . . . 6.3 mm-40 -70.89 -26.32 63.18 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.191 -0.459 . . . . 20.16 110.513 -179.97 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 120' ' ' GLU . . . . . . . . . . . . . 33.6 tt0 -85.17 -45.98 11.51 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.213 -0.448 . . . . 14.19 110.53 -179.972 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 121' ' ' VAL . . . . . 0.466 HG23 ' O ' ' A' ' 117' ' ' THR . 93.4 t -54.48 -42.88 61.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.244 -0.435 . . . . 14.97 110.579 -179.998 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 122' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -76.37 -44.55 35.82 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.185 -0.461 . . . . 20.12 110.532 -179.998 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 123' ' ' GLU . . . . . 0.507 ' OE2' ' O ' ' A' ' 123' ' ' GLU . 7.1 tp10 -57.33 -47.33 81.83 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.26 -0.427 . . . . 15.72 110.535 -179.983 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 124' ' ' MET . . . . . . . . . . . . . 4.6 ttt -61.92 -54.5 41.06 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.174 -0.466 . . . . 9.75 110.589 179.982 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 125' ' ' ILE . . . . . 0.439 ' C ' ' N ' ' A' ' 127' ' ' GLU . 24.4 mt -62.53 -58.04 9.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.159 -0.473 . . . . 11.99 110.587 179.982 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 126' ' ' ARG . . . . . . . . . . . . . 52.2 ttt-85 -43.54 -22.52 0.05 OUTLIER 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.235 -0.439 . . . . 27.23 110.578 179.987 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 127' ' ' GLU . . . . . 0.439 ' N ' ' C ' ' A' ' 125' ' ' ILE . 16.7 tt0 -89.81 -54.2 4.16 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.215 -0.448 . . . . 15.5 110.571 -179.98 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 128' ' ' ALA . . . . . . . . . . . . . . . -65.42 -25.9 67.73 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.165 -0.47 . . . . 10.5 110.571 -179.983 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 129' ' ' ASP . . . . . 0.636 ' OD1' ' N ' ' A' ' 133' ' ' ASP . 45.4 t0 -72.89 92.71 1.64 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.204 -0.453 . . . . 10.86 110.528 179.97 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 130' ' ' ILE . . . . . 0.449 HD11 ' HG2' ' A' ' 143' ' ' GLN . 18.8 mt -48.54 -35.13 5.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.11 -0.495 . . . . 12.26 110.713 -179.788 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 131' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -88.2 -17.93 29.79 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.316 -0.402 . . . . 7.79 110.652 -179.957 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 132' ' ' GLY . . . . . 0.626 ' N ' ' OD2' ' A' ' 129' ' ' ASP . . . 60.7 39.43 96.64 Favored Glycine 0 CA--C 1.525 0.674 0 N-CA-C 110.826 -0.91 . . . . 3.93 110.826 -179.935 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 133' ' ' ASP . . . . . 0.636 ' N ' ' OD1' ' A' ' 129' ' ' ASP . 0.5 OUTLIER -87.99 -1.82 58.23 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.759 0.314 . . . . 9.56 110.649 -179.888 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 134' ' ' GLY . . . . . . . . . . . . . . . 82.78 5.43 89.41 Favored Glycine 0 CA--C 1.525 0.667 0 N-CA-C 110.902 -0.879 . . . . 7.32 110.902 -179.959 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 135' ' ' GLN . . . . . . . . . . . . . 9.4 mt-30 -136.32 160.62 38.17 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.745 0.307 . . . . 22.05 110.415 179.937 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 136' ' ' VAL . . . . . 0.586 ' C ' HD22 ' A' ' 137' ' ' ASN . 66.2 t -112.75 135.46 52.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.336 -0.393 . . . . 10.34 110.694 -179.91 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 137' ' ' ASN . . . . . 0.657 HD22 ' N ' ' A' ' 137' ' ' ASN . 0.7 OUTLIER -109.92 159.47 17.22 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.147 -0.479 . . . . 12.02 110.292 179.541 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 138' ' ' TYR . . . . . . . . . . . . . 75.1 t80 -49.6 -28.78 6.13 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.811 0.339 . . . . 8.75 110.496 179.972 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 139' ' ' GLU . . . . . . . . . . . . . 5.0 mt-10 -70.01 -39.99 75.51 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.168 -0.469 . . . . 22.33 110.541 -179.989 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 140' ' ' GLU . . . . . 0.505 ' OE1' ' N ' ' A' ' 137' ' ' ASN . 1.7 mt-10 -61.1 -43.14 99.34 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.247 -0.433 . . . . 13.45 110.498 179.929 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 141' ' ' PHE . . . . . . . . . . . . . 1.2 m-85 -50.74 -60.32 3.17 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.2 -0.455 . . . . 8.25 110.438 179.968 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 142' ' ' VAL . . . . . 0.759 HG12 ' OG1' ' A' ' 146' ' ' THR . 66.0 t -50.76 -36.41 14.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.152 -0.476 . . . . 10.15 110.549 179.985 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 143' ' ' GLN . . . . . 0.449 ' HG2' HD11 ' A' ' 130' ' ' ILE . 14.4 tp60 -47.17 -54.75 9.89 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.176 -0.465 . . . . 8.24 110.435 179.964 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 144' ' ' MET . . . . . . . . . . . . . 2.1 ttt -49.13 -37.89 23.38 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.228 -0.442 . . . . 6.68 110.439 179.993 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 145' ' ' MET . . . . . . . . . . . . . 29.9 mtt -90.34 -18.73 25.01 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.198 -0.455 . . . . 13.37 110.534 179.887 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 146' ' ' THR . . . . . 0.759 ' OG1' HG12 ' A' ' 142' ' ' VAL . 2.3 m -78.12 10.55 2.86 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.164 -0.471 . . . . 10.78 110.596 179.921 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 147' ' ' ALA . . . . . . . . . . . . . . . -91.45 146.42 23.81 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.204 -0.453 . . . . 18.52 110.53 179.982 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 148' ' ' LYS . . . . . . . . . . . . . 30.4 tttt . . . . . 0 C--O 1.22 -0.475 0 CA-C-O 117.957 -1.02 . . . . 23.42 110.595 179.956 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 401' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 402' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 403' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 404' ' ' ' TB' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 3' ' ' GLN . . . . . 0.604 ' OE1' ' N ' ' A' ' 3' ' ' GLN . 0.0 OUTLIER . . . . . 0 C--O 1.231 0.121 0 CA-C-O 120.754 0.311 . . . . 23.46 110.545 . . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 4' ' ' LEU . . . . . 0.465 HD23 HG13 ' A' ' 9' ' ' ILE . 0.6 OUTLIER -80.58 127.17 32.15 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.216 -0.447 . . . . 14.38 110.537 -179.994 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 71.6 p -68.59 149.77 48.78 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.209 -0.45 . . . . 7.34 110.518 179.999 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 24.6 mm-40 -53.9 -45.45 71.11 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.211 -0.45 . . . . 7.12 110.605 -179.996 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 7' ' ' GLU . . . . . 0.572 ' O ' ' OE1' ' A' ' 7' ' ' GLU . 0.9 OUTLIER -48.22 -38.79 19.31 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.171 -0.468 . . . . 6.85 110.641 -179.995 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 69.4 mt-30 -78.34 -40.96 34.99 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.218 -0.446 . . . . 15.1 110.601 179.992 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 9' ' ' ILE . . . . . 0.465 HG13 HD23 ' A' ' 4' ' ' LEU . 60.2 mt -62.18 -31.51 51.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.181 -0.463 . . . . 4.72 110.583 -179.921 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -68.32 -59.35 3.26 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.212 -0.449 . . . . 6.68 110.557 -179.938 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 45.4 mm-40 -46.14 -38.98 8.87 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.265 -0.425 . . . . 18.49 110.584 -179.925 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 12' ' ' PHE . . . . . 0.426 ' CD2' HD23 ' A' ' 69' ' ' LEU . 1.9 m-85 -57.57 -45.21 85.47 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.224 -0.444 . . . . 14.89 110.608 179.997 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -47.01 -41.62 16.8 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.212 -0.449 . . . . 18.39 110.527 -179.927 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 14' ' ' GLU . . . . . 0.634 ' OE2' HD23 ' A' ' 18' ' ' LEU . 3.7 tm-20 -60.75 -35.76 77.19 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.242 -0.435 . . . . 22.76 110.615 180.0 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -60.66 -51.95 67.21 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.164 -0.471 . . . . 5.67 110.608 179.954 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 16' ' ' PHE . . . . . 0.527 ' CE2' HD11 ' A' ' 27' ' ' ILE . 0.1 OUTLIER -48.87 -60.27 2.89 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.206 -0.452 . . . . 13.28 110.469 -179.971 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 10.9 t -48.24 -23.53 0.91 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.246 -0.433 . . . . 12.16 110.461 179.943 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 18' ' ' LEU . . . . . 0.634 HD23 ' OE2' ' A' ' 14' ' ' GLU . 0.4 OUTLIER -81.35 -33.35 32.49 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.151 -0.477 . . . . 17.89 110.488 180.0 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 25.6 m-85 -90.05 -50.44 6.01 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.257 -0.429 . . . . 9.14 110.599 179.981 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 33.8 t70 -95.88 91.52 6.07 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.232 -0.44 . . . . 7.47 110.602 -179.947 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 24.3 mttp -83.5 -19.54 35.58 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.144 -0.48 . . . . 27.75 110.633 -179.933 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 92.5 m-20 -72.62 -15.39 61.73 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.304 -0.407 . . . . 14.13 110.702 -179.812 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 62.26 31.93 80.9 Favored Glycine 0 CA--C 1.524 0.647 0 N-CA-C 110.903 -0.879 . . . . 11.51 110.903 -179.935 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 52.7 t0 -81.81 -29.39 32.68 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.763 0.316 . . . . 14.28 110.653 -179.976 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 105.09 1.08 41.67 Favored Glycine 0 CA--C 1.525 0.683 0 N-CA-C 110.924 -0.87 . . . . 9.47 110.924 -179.998 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 1.5 p -148.54 136.84 21.18 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.792 0.329 . . . . 16.41 110.559 179.967 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 27' ' ' ILE . . . . . 0.527 HD11 ' CE2' ' A' ' 16' ' ' PHE . 5.6 mt -100.03 130.38 49.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.202 -0.454 . . . . 8.03 110.508 179.989 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 33.5 p -111.36 173.97 6.09 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.188 -0.46 . . . . 7.8 110.6 179.955 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 21.0 p -60.04 -42.08 93.66 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.219 -0.446 . . . . 10.04 110.516 179.979 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 2.9 mtpp -63.79 -34.46 77.95 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.154 -0.475 . . . . 16.38 110.628 -179.939 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 32.0 mt-10 -75.34 -43.66 49.43 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.24 -0.436 . . . . 5.59 110.517 179.977 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 1.4 mt -63.61 -59.4 4.67 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.187 -0.461 . . . . 7.72 110.573 -179.978 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 33' ' ' GLY . . . . . 0.446 ' O ' ' N ' ' A' ' 37' ' ' ARG . . . -44.03 -52.45 6.88 Favored Glycine 0 CA--C 1.525 0.688 0 N-CA-C 110.927 -0.869 . . . . 6.93 110.927 179.988 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 29.3 m -49.23 -42.32 40.2 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.772 0.32 . . . . 9.63 110.488 179.939 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 73.6 t -64.52 -51.52 66.76 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.224 -0.443 . . . . 7.07 110.536 179.954 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 36' ' ' MET . . . . . . . . . . . . . 19.2 mmt -68.97 -24.75 64.29 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.22 -0.446 . . . . 10.12 110.475 179.979 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 37' ' ' ARG . . . . . 0.446 ' N ' ' O ' ' A' ' 33' ' ' GLY . 54.9 ttm-85 -65.32 -31.01 71.92 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.215 -0.448 . . . . 9.87 110.533 179.988 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -82.24 -16.05 50.91 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.186 -0.461 . . . . 8.15 110.528 -180.0 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 7.5 mp -87.78 15.0 7.54 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.19 -0.459 . . . . 12.78 110.576 179.968 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 74.51 20.79 79.46 Favored Glycine 0 CA--C 1.525 0.689 0 N-CA-C 110.924 -0.87 . . . . 9.6 110.924 179.986 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 41' ' ' GLN . . . . . 0.464 HE22 ' CG2' ' A' ' 91' ' ' VAL . 0.9 OUTLIER -102.52 146.11 28.61 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.809 0.337 . . . . 20.35 110.58 -179.975 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 42' ' ' ASN . . . . . 0.459 ' ND2' ' O ' ' A' ' 41' ' ' GLN . 14.3 m120 -136.72 80.02 38.58 Favored Pre-proline 0 C--N 1.329 -0.286 0 CA-C-N 116.195 -0.457 . . . . 10.22 110.556 179.971 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 43' ' ' PRO . . . . . 0.406 ' CG ' HD13 ' A' ' 48' ' ' LEU . 60.3 Cg_endo -78.1 155.24 29.57 Favored 'Trans proline' 0 C--N 1.306 -1.679 0 C-N-CA 122.809 2.339 . . . . 8.63 112.224 -179.897 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -81.01 168.43 18.69 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.18 -0.464 . . . . 4.83 110.509 179.982 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 62.6 tt0 -62.38 -42.19 99.22 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.176 -0.465 . . . . 16.78 110.567 179.967 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -77.95 -21.88 50.36 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.212 -0.449 . . . . 4.8 110.534 179.98 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 43.4 mt-10 -72.28 -53.03 13.66 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.194 -0.457 . . . . 6.18 110.544 179.993 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 48' ' ' LEU . . . . . 0.441 ' O ' ' N ' ' A' ' 51' ' ' MET . 4.7 tp -68.77 -53.25 22.91 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.21 -0.45 . . . . 6.65 110.578 179.968 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 6.6 tp-100 -47.0 -46.1 21.55 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.144 -0.48 . . . . 7.05 110.546 179.976 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 2.6 t70 -69.82 -18.36 63.45 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.216 -0.447 . . . . 6.72 110.532 179.947 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 51' ' ' MET . . . . . 0.441 ' N ' ' O ' ' A' ' 48' ' ' LEU . 4.7 ttt -68.45 -50.13 54.82 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.164 -0.471 . . . . 13.6 110.554 -179.986 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 1.5 mp -53.94 -46.11 64.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.231 -0.44 . . . . 8.71 110.449 179.975 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 53' ' ' ASN . . . . . 0.406 HD22 ' HA ' ' A' ' 53' ' ' ASN . 1.9 t-20 -43.41 -48.78 7.15 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.26 -0.427 . . . . 9.04 110.482 -179.994 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 70.8 mt-10 -51.21 -49.13 61.64 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.185 -0.461 . . . . 23.58 110.57 179.985 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 55' ' ' VAL . . . . . 0.595 HG22 ' HG3' ' A' ' 71' ' ' MET . 2.4 t -83.75 -4.37 8.42 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.232 -0.44 . . . . 7.6 110.553 -179.98 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 56' ' ' ASP . . . . . 0.558 ' OD1' ' O ' ' A' ' 62' ' ' THR . 1.1 t70 -107.52 96.99 6.79 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.186 -0.461 . . . . 12.55 110.59 179.966 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -83.25 -44.56 14.84 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.217 -0.447 . . . . 15.13 110.533 -179.98 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -78.74 -5.71 53.94 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.209 -0.45 . . . . 14.32 110.547 179.999 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 59' ' ' GLY . . . . . 0.429 ' CA ' ' OD2' ' A' ' 56' ' ' ASP . . . 56.45 49.84 66.53 Favored Glycine 0 CA--C 1.524 0.644 0 N-CA-C 110.963 -0.855 . . . . 13.64 110.963 -179.999 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 60' ' ' ASP . . . . . 0.413 ' N ' ' OD2' ' A' ' 56' ' ' ASP . 20.6 p-10 -87.32 -17.94 31.27 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.815 0.341 . . . . 13.27 110.541 -179.959 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 105.73 -10.09 44.89 Favored Glycine 0 CA--C 1.525 0.661 0 N-CA-C 110.939 -0.864 . . . . 11.65 110.939 -179.983 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 62' ' ' THR . . . . . 0.558 ' O ' ' OD1' ' A' ' 56' ' ' ASP . 1.7 p -138.19 178.61 7.0 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.735 0.302 . . . . 11.55 110.541 -179.966 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 63' ' ' ILE . . . . . 0.457 HD12 ' N ' ' A' ' 63' ' ' ILE . 1.7 mp -111.03 141.36 26.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.217 -0.447 . . . . 10.06 110.666 -179.922 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 64' ' ' ASP . . . . . 0.543 ' O ' ' CB ' ' A' ' 68' ' ' PHE . 21.3 m-20 -116.48 -179.17 3.6 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.107 -0.497 . . . . 11.33 110.451 179.983 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 65' ' ' PHE . . . . . 0.503 ' N ' ' CD ' ' A' ' 66' ' ' PRO . 0.1 OUTLIER -70.27 -50.23 15.82 Favored Pre-proline 0 C--N 1.33 -0.271 0 CA-C-N 116.418 -0.356 . . . . 7.4 110.692 -179.779 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 66' ' ' PRO . . . . . 0.504 ' O ' ' OG1' ' A' ' 70' ' ' THR . 31.4 Cg_exo -55.08 -36.47 92.93 Favored 'Trans proline' 0 C--N 1.306 -1.695 0 C-N-CA 122.628 2.219 . . . . 6.66 111.994 -179.902 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 18.1 mt-10 -91.08 -38.81 12.54 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.227 -0.442 . . . . 7.44 110.545 179.991 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 68' ' ' PHE . . . . . 0.543 ' CB ' ' O ' ' A' ' 64' ' ' ASP . 13.5 t80 -56.19 -38.11 70.51 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.239 -0.437 . . . . 8.58 110.595 -179.995 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 69' ' ' LEU . . . . . 0.426 HD23 ' CD2' ' A' ' 12' ' ' PHE . 0.7 OUTLIER -83.67 -43.38 15.64 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.23 -0.441 . . . . 9.43 110.323 179.517 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 70' ' ' THR . . . . . 0.504 ' OG1' ' O ' ' A' ' 66' ' ' PRO . 88.7 m -62.46 -45.9 90.94 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.095 -0.502 . . . . 7.53 110.508 179.956 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 71' ' ' MET . . . . . 0.651 ' SD ' ' N ' ' A' ' 72' ' ' MET . 1.4 tmt? -48.01 -46.1 32.57 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.158 -0.474 . . . . 11.86 110.446 179.965 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 72' ' ' MET . . . . . 0.651 ' N ' ' SD ' ' A' ' 71' ' ' MET . 6.8 ttt -72.67 -49.95 28.2 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.21 -0.45 . . . . 22.32 110.539 179.959 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -52.86 -56.31 16.73 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.182 -0.463 . . . . 9.15 110.537 179.975 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 12.4 mtp85 -46.16 -35.7 5.3 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.231 -0.44 . . . . 13.8 110.496 179.944 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 40.4 tttm -48.51 -47.42 38.89 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.136 -0.484 . . . . 25.18 110.483 179.932 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 76' ' ' MET . . . . . . . . . . . . . 4.1 mtt -67.72 -12.98 61.69 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.201 -0.454 . . . . 34.79 110.554 -179.988 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 33.7 mttm -112.21 39.81 2.35 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.191 -0.459 . . . . 37.65 110.559 -179.983 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 6.2 m-20 -163.72 167.85 20.49 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.247 -0.433 . . . . 42.58 110.581 -179.994 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 75.7 p -72.54 159.88 33.19 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.195 -0.457 . . . . 38.4 110.556 -179.993 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 14.2 m-20 -130.65 157.87 41.57 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.2 -0.455 . . . . 37.51 110.575 -179.978 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 81' ' ' SER . . . . . 0.451 ' C ' ' H ' ' A' ' 83' ' ' GLU . 10.9 t -114.96 123.04 48.08 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.179 -0.464 . . . . 33.12 110.628 179.951 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 29.6 tt0 -52.43 -10.38 0.14 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.216 -0.447 . . . . 34.28 110.637 -179.966 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 83' ' ' GLU . . . . . 0.451 ' H ' ' C ' ' A' ' 81' ' ' SER . 33.3 tt0 -60.3 -60.44 3.81 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.231 -0.441 . . . . 30.91 110.568 -179.942 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 5.2 tp10 -57.62 -20.92 36.26 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.22 -0.446 . . . . 22.86 110.594 -179.968 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 85' ' ' ILE . . . . . 0.418 ' CD1' ' HE1' ' A' ' 145' ' ' MET . 13.6 mt -83.03 -22.32 8.75 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.237 -0.438 . . . . 19.17 110.605 179.973 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 54.3 ttt85 -81.57 -54.46 5.4 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.268 -0.424 . . . . 26.85 110.616 -179.956 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 1.2 tp10 -59.87 -61.79 2.35 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.224 -0.444 . . . . 16.48 110.581 -179.983 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -46.79 -36.13 6.98 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.207 -0.452 . . . . 9.91 110.576 -179.95 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 89' ' ' PHE . . . . . 0.426 ' C ' ' CD2' ' A' ' 89' ' ' PHE . 27.1 t80 -69.54 -34.16 73.82 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.241 -0.436 . . . . 8.53 110.642 179.997 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 14.1 mtp-105 -73.96 -46.41 44.19 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.233 -0.44 . . . . 17.58 110.61 -179.935 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 91' ' ' VAL . . . . . 0.464 ' CG2' HE22 ' A' ' 41' ' ' GLN . 33.8 t -49.99 -17.3 0.43 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.235 -0.439 . . . . 7.82 110.552 -179.847 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 92' ' ' PHE . . . . . . . . . . . . . 6.2 m-85 -95.41 -42.87 8.27 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.234 -0.439 . . . . 9.11 110.491 179.901 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 93' ' ' ASP . . . . . 0.533 ' CG ' ' O ' ' A' ' 99' ' ' TYR . 43.6 t0 -98.12 69.33 2.02 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.142 -0.481 . . . . 11.11 110.584 180.0 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 2.2 mtmp? -47.28 -18.47 0.11 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.213 -0.449 . . . . 14.57 111.056 -179.721 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 95' ' ' ASP . . . . . 0.484 ' OD1' ' OE1' ' A' ' 104' ' ' GLU . 0.9 OUTLIER -75.09 -11.52 60.11 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.868 0.366 . . . . 10.2 110.72 -179.72 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 60.22 9.64 12.43 Favored Glycine 0 CA--C 1.525 0.671 0 N-CA-C 110.974 -0.85 . . . . 6.24 110.974 179.991 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 97' ' ' ASN . . . . . 0.679 ' O ' ' CE1' ' A' ' 99' ' ' TYR . 30.8 m120 -68.79 2.57 2.46 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.841 0.353 . . . . 7.56 110.439 179.89 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 98' ' ' GLY . . . . . 0.47 ' C ' ' CD2' ' A' ' 99' ' ' TYR . . . 64.95 9.55 40.99 Favored Glycine 0 CA--C 1.525 0.701 0 N-CA-C 110.964 -0.855 . . . . 7.08 110.964 179.962 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 99' ' ' TYR . . . . . 0.679 ' CE1' ' O ' ' A' ' 97' ' ' ASN . 1.3 m-85 -129.11 145.16 51.35 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.815 0.34 . . . . 9.0 110.677 179.998 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 81.0 mt -122.04 108.44 21.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.192 -0.458 . . . . 9.29 110.476 179.946 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 101' ' ' SER . . . . . 0.415 ' HA ' ' CB ' ' A' ' 135' ' ' GLN . 0.4 OUTLIER -90.46 151.63 21.31 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.271 -0.422 . . . . 7.02 110.703 -179.955 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -46.66 -38.74 10.18 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.08 -0.509 . . . . 6.41 110.621 -179.966 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -53.44 -59.98 3.88 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.25 -0.432 . . . . 5.01 110.635 -179.99 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 104' ' ' GLU . . . . . 0.484 ' OE1' ' OD1' ' A' ' 95' ' ' ASP . 14.3 mt-10 -60.84 -51.78 67.88 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.213 -0.449 . . . . 6.84 110.611 -179.971 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 105' ' ' LEU . . . . . 0.537 HD23 HG13 ' A' ' 121' ' ' VAL . 3.3 tp -47.71 -45.69 28.89 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.192 -0.458 . . . . 4.99 110.57 -179.941 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 106' ' ' ARG . . . . . 0.465 ' O ' ' OG1' ' A' ' 110' ' ' THR . 0.6 OUTLIER -70.59 -16.2 62.83 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.204 -0.453 . . . . 15.24 110.543 -179.964 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 107' ' ' HIS . . . . . 0.425 ' N ' ' O ' ' A' ' 104' ' ' GLU . 32.2 t-80 -80.52 -48.44 12.77 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.236 -0.438 . . . . 15.69 110.597 -179.949 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 108' ' ' VAL . . . . . . . . . . . . . 32.9 t -75.78 -26.11 17.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.198 -0.455 . . . . 12.28 110.623 -179.962 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 109' ' ' MET . . . . . . . . . . . . . 4.5 mmt -78.48 -17.81 55.75 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.186 -0.461 . . . . 9.53 110.591 -179.957 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 110' ' ' THR . . . . . 0.465 ' OG1' ' O ' ' A' ' 106' ' ' ARG . 97.5 m -82.34 -40.57 21.22 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.207 -0.452 . . . . 11.87 110.605 -179.933 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 111' ' ' ASN . . . . . . . . . . . . . 48.5 t-20 -76.7 -18.14 58.7 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.269 -0.423 . . . . 21.65 110.497 -179.996 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 112' ' ' LEU . . . . . 0.417 ' HA ' HD22 ' A' ' 112' ' ' LEU . 0.1 OUTLIER -50.1 -26.24 4.27 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.196 -0.456 . . . . 19.55 110.572 179.989 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . 115.09 -2.22 22.61 Favored Glycine 0 CA--C 1.525 0.699 0 N-CA-C 110.864 -0.895 . . . . 19.66 110.864 -179.985 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 114' ' ' GLU . . . . . 0.471 ' OE1' ' N ' ' A' ' 114' ' ' GLU . 4.3 mp0 -124.3 123.48 40.31 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.664 0.269 . . . . 25.55 110.476 179.861 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 1.5 tptp -78.79 115.7 18.65 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.362 -0.381 . . . . 23.26 110.51 -179.91 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 116' ' ' LEU . . . . . 0.6 ' CD2' ' OE1' ' A' ' 120' ' ' GLU . 1.2 mt -109.17 158.83 17.43 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.169 -0.469 . . . . 23.07 110.535 -179.999 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 117' ' ' THR . . . . . . . . . . . . . 30.3 p -89.55 150.29 22.5 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.254 -0.43 . . . . 19.41 110.531 179.994 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 118' ' ' ASP . . . . . . . . . . . . . 49.8 t0 -70.67 -25.78 63.14 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.212 -0.449 . . . . 18.08 110.584 179.967 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 119' ' ' GLU . . . . . 0.51 ' N ' ' CD ' ' A' ' 119' ' ' GLU . 0.2 OUTLIER -68.56 -45.04 73.18 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.185 -0.461 . . . . 20.16 110.575 179.969 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 120' ' ' GLU . . . . . 0.6 ' OE1' ' CD2' ' A' ' 116' ' ' LEU . 65.3 tt0 -67.8 -33.57 75.06 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.213 -0.448 . . . . 14.19 110.524 -179.947 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 121' ' ' VAL . . . . . 0.537 HG13 HD23 ' A' ' 105' ' ' LEU . 68.9 t -75.85 -44.52 38.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.201 -0.454 . . . . 14.97 110.543 -179.999 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 122' ' ' ASP . . . . . . . . . . . . . 35.4 t0 -73.35 -42.59 62.06 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.213 -0.449 . . . . 20.12 110.539 179.999 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 123' ' ' GLU . . . . . 0.403 ' CB ' ' O ' ' A' ' 119' ' ' GLU . 39.0 tt0 -61.41 -35.92 78.89 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.24 -0.436 . . . . 15.72 110.577 179.989 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 124' ' ' MET . . . . . . . . . . . . . 34.8 ttp -66.91 -61.43 1.95 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.175 -0.466 . . . . 9.75 110.52 179.99 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 125' ' ' ILE . . . . . 0.515 ' O ' ' CB ' ' A' ' 129' ' ' ASP . 60.8 mt -56.83 -44.34 81.78 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.23 -0.441 . . . . 11.99 110.573 179.954 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 126' ' ' ARG . . . . . . . . . . . . . 8.9 tpt180 -55.08 -23.13 18.86 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.153 -0.476 . . . . 27.23 110.538 179.973 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 127' ' ' GLU . . . . . . . . . . . . . 20.3 tt0 -88.91 -54.66 4.03 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.193 -0.458 . . . . 15.5 110.536 -179.988 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 128' ' ' ALA . . . . . . . . . . . . . . . -70.86 -21.43 62.42 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.201 -0.454 . . . . 10.5 110.508 179.989 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 129' ' ' ASP . . . . . 0.619 ' OD1' ' N ' ' A' ' 132' ' ' GLY . 50.7 t0 -75.39 92.79 2.84 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.164 -0.471 . . . . 10.86 110.513 179.973 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 130' ' ' ILE . . . . . . . . . . . . . 2.2 mt -48.85 -40.5 12.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.181 -0.463 . . . . 12.26 110.637 -179.914 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 131' ' ' ASP . . . . . 0.425 ' CB ' ' OD2' ' A' ' 133' ' ' ASP . 60.3 m-20 -83.34 -17.96 40.58 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.291 -0.413 . . . . 7.79 110.648 -179.881 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 132' ' ' GLY . . . . . 0.619 ' N ' ' OD1' ' A' ' 129' ' ' ASP . . . 52.81 54.43 28.33 Favored Glycine 0 CA--C 1.524 0.635 0 N-CA-C 110.946 -0.861 . . . . 3.93 110.946 -179.928 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 133' ' ' ASP . . . . . 0.512 ' OD2' ' N ' ' A' ' 133' ' ' ASP . 0.0 OUTLIER -100.93 -12.5 18.9 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.799 0.333 . . . . 9.56 110.66 -179.979 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 134' ' ' GLY . . . . . . . . . . . . . . . 105.04 8.85 35.59 Favored Glycine 0 CA--C 1.524 0.63 0 N-CA-C 110.971 -0.852 . . . . 7.32 110.971 -179.98 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 135' ' ' GLN . . . . . 0.415 ' CB ' ' HA ' ' A' ' 101' ' ' SER . 4.0 pt20 -146.14 166.19 26.92 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.753 0.311 . . . . 22.05 110.441 179.935 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 136' ' ' VAL . . . . . . . . . . . . . 38.6 t -121.77 100.14 8.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.323 -0.399 . . . . 10.34 110.634 179.999 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 137' ' ' ASN . . . . . . . . . . . . . 3.3 m120 -67.88 159.85 29.64 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.083 -0.508 . . . . 12.02 110.629 -179.987 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 138' ' ' TYR . . . . . . . . . . . . . 33.5 t80 -52.51 -37.34 57.23 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.246 -0.434 . . . . 8.75 110.513 179.982 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 139' ' ' GLU . . . . . . . . . . . . . 1.6 tm-20 -57.55 -37.59 73.35 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.168 -0.469 . . . . 22.33 110.52 -179.968 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 140' ' ' GLU . . . . . . . . . . . . . 1.9 mt-10 -65.09 -39.64 93.48 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.204 -0.453 . . . . 13.45 110.544 179.988 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 141' ' ' PHE . . . . . . . . . . . . . 2.1 m-85 -51.89 -56.91 11.22 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.163 -0.472 . . . . 8.25 110.515 179.889 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 142' ' ' VAL . . . . . 0.564 ' O ' ' OG1' ' A' ' 146' ' ' THR . 71.4 t -52.48 -23.26 4.42 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.164 -0.471 . . . . 10.15 110.49 179.95 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 143' ' ' GLN . . . . . 0.426 ' O ' ' N ' ' A' ' 146' ' ' THR . 0.5 OUTLIER -70.03 -46.87 64.13 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.185 -0.462 . . . . 8.24 110.494 179.904 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 144' ' ' MET . . . . . . . . . . . . . 5.0 ttt -48.71 -24.73 1.48 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.138 -0.483 . . . . 6.68 110.523 -179.943 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 145' ' ' MET . . . . . 0.44 ' CG ' ' O ' ' A' ' 142' ' ' VAL . 16.8 ptp -104.64 -10.85 17.24 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.229 -0.441 . . . . 13.37 110.548 179.864 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 146' ' ' THR . . . . . 0.564 ' OG1' ' O ' ' A' ' 142' ' ' VAL . 14.7 m -80.76 10.77 4.48 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.074 -0.512 . . . . 10.78 110.638 -179.989 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 147' ' ' ALA . . . . . . . . . . . . . . . -84.5 146.57 27.52 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.266 -0.425 . . . . 18.52 110.455 179.942 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 148' ' ' LYS . . . . . . . . . . . . . 33.9 pttt . . . . . 0 C--O 1.22 -0.467 0 CA-C-O 118.009 -0.996 . . . . 23.42 110.588 179.945 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 401' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 402' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 403' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 404' ' ' ' TB' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 37.0 tt0 . . . . . 0 C--O 1.231 0.089 0 CA-C-O 120.799 0.333 . . . . 23.46 110.577 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 1.2 tp -77.56 126.96 31.7 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.219 -0.446 . . . . 14.38 110.554 179.987 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 5' ' ' THR . . . . . 0.467 ' OG1' ' NE2' ' A' ' 8' ' ' GLN . 69.5 p -72.64 151.39 42.31 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.181 -0.463 . . . . 7.34 110.57 -179.974 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 6' ' ' GLU . . . . . 0.441 ' HG2' ' H ' ' A' ' 7' ' ' GLU . 1.0 OUTLIER -49.05 -44.12 41.43 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.227 -0.442 . . . . 7.12 110.525 179.969 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 7' ' ' GLU . . . . . 0.535 ' C ' ' OE1' ' A' ' 8' ' ' GLN . 25.1 mt-10 -53.16 -28.28 25.47 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.223 -0.444 . . . . 6.85 110.528 179.997 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 8' ' ' GLN . . . . . 0.545 ' OE1' ' N ' ' A' ' 8' ' ' GLN . 0.8 OUTLIER -90.69 -51.69 5.25 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.165 -0.47 . . . . 15.1 110.653 179.975 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 76.8 mt -48.68 -31.18 3.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.193 -0.458 . . . . 4.72 110.553 179.98 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -78.11 -59.45 2.77 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.248 -0.433 . . . . 6.68 110.551 -179.924 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 11.3 tm-20 -44.06 -32.13 1.1 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.265 -0.425 . . . . 18.49 110.613 -179.935 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 12' ' ' PHE . . . . . 0.57 ' CB ' HD21 ' A' ' 69' ' ' LEU . 8.0 m-85 -75.13 -50.06 17.56 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.193 -0.458 . . . . 14.89 110.595 179.941 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 1.7 tmtt? -46.95 -35.17 6.22 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.185 -0.462 . . . . 18.39 110.45 179.991 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 9.6 mm-40 -61.96 -48.91 78.26 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.185 -0.461 . . . . 22.76 110.511 179.988 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 15' ' ' ALA . . . . . 0.48 ' O ' ' CB ' ' A' ' 18' ' ' LEU . . . -45.82 -51.55 12.69 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.176 -0.466 . . . . 5.67 110.574 179.92 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 16' ' ' PHE . . . . . 0.527 ' CE2' HD11 ' A' ' 27' ' ' ILE . 0.1 OUTLIER -42.8 -60.17 1.68 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.153 -0.476 . . . . 13.28 110.416 179.995 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 66.7 m -45.33 -21.44 0.09 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.145 -0.479 . . . . 12.16 110.492 179.998 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 18' ' ' LEU . . . . . 0.48 ' CB ' ' O ' ' A' ' 15' ' ' ALA . 10.2 tp -75.71 -39.01 58.09 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.157 -0.474 . . . . 17.89 110.522 179.971 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 19' ' ' PHE . . . . . 0.429 ' N ' ' O ' ' A' ' 16' ' ' PHE . 52.9 m-85 -90.03 -50.32 6.08 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.252 -0.431 . . . . 9.14 110.515 -179.957 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 1.7 m-20 -72.98 68.19 0.9 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.24 -0.436 . . . . 7.47 110.575 179.994 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 4.8 ttpt -60.85 -19.65 60.41 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.098 -0.501 . . . . 27.75 110.62 -179.952 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 22' ' ' ASP . . . . . 0.511 ' OD1' ' OE2' ' A' ' 31' ' ' GLU . 8.5 m-20 -95.09 -15.26 23.53 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.242 -0.435 . . . . 14.13 110.6 -179.914 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 63.12 37.76 95.45 Favored Glycine 0 CA--C 1.526 0.727 0 N-CA-C 110.909 -0.877 . . . . 11.51 110.909 179.987 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 31.2 m-20 -79.78 -29.83 40.48 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.788 0.327 . . . . 14.28 110.588 -179.989 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 105.18 5.61 40.29 Favored Glycine 0 CA--C 1.525 0.671 0 N-CA-C 110.918 -0.873 . . . . 9.47 110.918 -179.939 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 4.3 p -148.66 143.32 26.42 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.801 0.334 . . . . 16.41 110.576 -179.987 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 27' ' ' ILE . . . . . 0.527 HD11 ' CE2' ' A' ' 16' ' ' PHE . 1.3 mt -107.86 125.15 64.39 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.21 -0.45 . . . . 8.03 110.535 179.995 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 1.5 p -107.32 170.69 7.81 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.19 -0.459 . . . . 7.8 110.558 -179.989 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 1.3 m -70.46 -19.53 62.95 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.183 -0.462 . . . . 10.04 110.548 -179.962 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 32.6 tptt -74.68 -35.49 62.79 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.22 -0.446 . . . . 16.38 110.623 -179.98 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 31' ' ' GLU . . . . . 0.511 ' OE2' ' OD1' ' A' ' 22' ' ' ASP . 30.7 mt-10 -85.32 -28.65 25.1 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.219 -0.446 . . . . 5.59 110.57 -180.0 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 32' ' ' LEU . . . . . 0.497 ' HA ' HD22 ' A' ' 32' ' ' LEU . 0.2 OUTLIER -64.61 -59.87 3.79 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.18 -0.464 . . . . 7.72 110.573 -179.95 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 33' ' ' GLY . . . . . 0.53 ' O ' ' N ' ' A' ' 37' ' ' ARG . . . -57.26 -48.75 77.85 Favored Glycine 0 CA--C 1.525 0.661 0 N-CA-C 110.913 -0.875 . . . . 6.93 110.913 179.979 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 97.7 m -49.48 -43.76 45.42 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.804 0.335 . . . . 9.63 110.506 179.984 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 35' ' ' VAL . . . . . 0.623 ' O ' HD13 ' A' ' 39' ' ' LEU . 72.8 t -71.9 -38.18 63.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.206 -0.452 . . . . 7.07 110.557 -179.993 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 36' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -77.0 -22.36 53.23 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.184 -0.462 . . . . 10.12 110.559 179.995 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 37' ' ' ARG . . . . . 0.53 ' N ' ' O ' ' A' ' 33' ' ' GLY . 36.8 ttm180 -72.54 -31.44 65.3 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.169 -0.469 . . . . 9.87 110.602 179.995 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 32.8 t -85.73 -14.47 45.19 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.225 -0.443 . . . . 8.15 110.611 179.947 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 39' ' ' LEU . . . . . 0.623 HD13 ' O ' ' A' ' 35' ' ' VAL . 4.1 mp -80.98 8.09 9.22 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.175 -0.466 . . . . 12.78 110.585 179.962 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 87.14 5.44 80.21 Favored Glycine 0 CA--C 1.525 0.702 0 N-CA-C 110.912 -0.875 . . . . 9.6 110.912 179.955 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 3.0 mm-40 -99.91 151.27 21.51 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.748 0.309 . . . . 20.35 110.6 -179.958 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 49.8 m-20 -131.98 80.03 65.89 Favored Pre-proline 0 C--N 1.328 -0.332 0 CA-C-N 116.226 -0.443 . . . . 10.22 110.543 179.933 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 43' ' ' PRO . . . . . 0.459 ' CG ' HD21 ' A' ' 48' ' ' LEU . 60.5 Cg_endo -78.13 150.6 26.28 Favored 'Trans proline' 0 C--N 1.306 -1.689 0 C-N-CA 122.792 2.328 . . . . 8.63 112.24 -179.91 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 44' ' ' THR . . . . . 0.493 ' O ' ' N ' ' A' ' 47' ' ' GLU . 66.5 m -98.94 152.19 20.05 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.148 -0.478 . . . . 4.83 110.56 179.896 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 16.6 mt-10 -45.43 -32.17 2.02 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.258 -0.428 . . . . 16.78 110.532 -179.939 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 46' ' ' ALA . . . . . 0.407 ' H ' HG22 ' A' ' 44' ' ' THR . . . -73.63 -26.62 60.86 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.197 -0.456 . . . . 4.8 110.534 179.991 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 47' ' ' GLU . . . . . 0.493 ' N ' ' O ' ' A' ' 44' ' ' THR . 52.0 tt0 -78.55 -60.76 2.24 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.225 -0.443 . . . . 6.18 110.585 -179.997 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 48' ' ' LEU . . . . . 0.459 HD21 ' CG ' ' A' ' 43' ' ' PRO . 68.8 mt -50.21 -49.5 52.54 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.195 -0.457 . . . . 6.65 110.559 179.968 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 19.3 tt0 -49.56 -43.72 46.2 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.177 -0.465 . . . . 7.05 110.558 -179.999 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 11.8 t70 -73.37 -28.42 62.02 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.228 -0.442 . . . . 6.72 110.546 179.993 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 51' ' ' MET . . . . . . . . . . . . . 26.2 ttm -69.52 -59.95 2.65 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.234 -0.439 . . . . 13.6 110.564 179.965 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 52' ' ' ILE . . . . . 0.436 ' HA ' HD13 ' A' ' 52' ' ' ILE . 36.2 mm -49.0 -47.21 16.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.212 -0.449 . . . . 8.71 110.579 179.965 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 8.9 m-20 -48.82 -46.5 42.03 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.246 -0.434 . . . . 9.04 110.522 179.942 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -51.18 -37.0 43.97 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.21 -0.45 . . . . 23.58 110.547 -179.909 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 55' ' ' VAL . . . . . 0.426 HG11 HD13 ' A' ' 63' ' ' ILE . 19.0 t -93.67 -18.73 6.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.236 -0.438 . . . . 7.6 110.533 179.997 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 56' ' ' ASP . . . . . 0.576 ' OD1' ' OD1' ' A' ' 60' ' ' ASP . 40.8 t0 -107.61 92.07 3.92 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.165 -0.47 . . . . 12.55 110.582 179.993 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -82.69 -31.64 28.48 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.213 -0.449 . . . . 15.13 110.6 -179.96 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -80.5 -10.16 59.75 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.192 -0.458 . . . . 14.32 110.603 179.966 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 61.45 47.78 88.74 Favored Glycine 0 CA--C 1.524 0.634 0 N-CA-C 110.989 -0.844 . . . . 13.64 110.989 -179.957 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 60' ' ' ASP . . . . . 0.652 ' OD1' ' N ' ' A' ' 60' ' ' ASP . 0.0 OUTLIER -87.57 -9.99 52.82 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.792 0.33 . . . . 13.27 110.564 -179.993 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 88.41 -3.73 85.3 Favored Glycine 0 CA--C 1.525 0.697 0 N-CA-C 110.885 -0.886 . . . . 11.65 110.885 -179.999 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 52.2 p -140.78 178.61 7.22 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.794 0.331 . . . . 11.55 110.591 -179.96 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 63' ' ' ILE . . . . . 0.491 HD12 ' HB ' ' A' ' 27' ' ' ILE . 98.6 mt -119.96 141.22 41.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.227 -0.442 . . . . 10.06 110.543 -179.983 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 64' ' ' ASP . . . . . 0.623 ' OD1' ' N ' ' A' ' 64' ' ' ASP . 0.0 OUTLIER -96.2 -178.86 4.46 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.215 -0.448 . . . . 11.33 110.541 179.961 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 65' ' ' PHE . . . . . 0.547 ' N ' ' HD2' ' A' ' 66' ' ' PRO . 3.0 t80 -85.03 -45.1 0.67 Allowed Pre-proline 0 CA--C 1.532 0.282 0 CA-C-N 116.288 -0.415 . . . . 7.4 111.217 -179.956 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 66' ' ' PRO . . . . . 0.547 ' HD2' ' N ' ' A' ' 65' ' ' PHE . 55.8 Cg_endo -74.7 -42.83 0.51 Allowed 'Trans proline' 0 N--CA 1.492 1.386 0 C-N-CA 122.021 1.814 . . . . 6.66 111.952 -179.946 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 67' ' ' GLU . . . . . 0.539 ' OE1' ' CG ' ' A' ' 64' ' ' ASP . 11.4 pt-20 -67.22 -19.0 65.48 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.226 -0.443 . . . . 7.44 110.26 179.688 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 68' ' ' PHE . . . . . . . . . . . . . 20.2 t80 -73.2 -25.12 60.64 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.018 -0.537 . . . . 8.58 110.384 179.871 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 69' ' ' LEU . . . . . 0.57 HD21 ' CB ' ' A' ' 12' ' ' PHE . 0.7 OUTLIER -83.24 -30.58 27.57 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.182 -0.463 . . . . 9.43 110.316 179.596 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 1.2 m -64.04 -55.18 24.11 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.123 -0.489 . . . . 7.53 110.586 -179.948 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 71' ' ' MET . . . . . 0.413 ' SD ' ' HG2' ' A' ' 72' ' ' MET . 0.0 OUTLIER -49.08 -44.78 42.29 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.191 -0.459 . . . . 11.86 110.561 179.979 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 72' ' ' MET . . . . . 0.413 ' HG2' ' SD ' ' A' ' 71' ' ' MET . 8.0 mmm -79.25 -40.69 29.96 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.221 -0.445 . . . . 22.32 110.654 -179.953 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 73' ' ' ALA . . . . . 0.443 ' CB ' ' O ' ' A' ' 69' ' ' LEU . . . -64.54 -56.41 14.21 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.222 -0.445 . . . . 9.15 110.645 -179.955 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 12.8 ttt180 -45.27 -40.48 7.6 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.181 -0.463 . . . . 13.8 110.597 -179.996 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 30.8 tptt -51.58 -46.37 63.45 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.178 -0.464 . . . . 25.18 110.523 -179.973 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 76' ' ' MET . . . . . . . . . . . . . 59.7 mmm -60.99 -34.69 75.18 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.244 -0.434 . . . . 34.79 110.561 179.964 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 26.7 mtmm -94.65 39.92 1.09 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.216 -0.447 . . . . 37.65 110.58 -179.984 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 78' ' ' ASP . . . . . 0.405 ' CG ' ' H ' ' A' ' 79' ' ' THR . 28.2 t0 -158.07 -173.37 4.31 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.16 -0.473 . . . . 42.58 110.533 -179.978 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 79' ' ' THR . . . . . 0.405 ' H ' ' CG ' ' A' ' 78' ' ' ASP . 70.5 p -72.7 163.51 27.97 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.202 -0.454 . . . . 38.4 110.596 179.997 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 3.5 m-20 -123.01 147.19 46.93 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.207 -0.451 . . . . 37.51 110.573 -179.973 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 13.8 p -113.78 112.75 23.93 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.184 -0.462 . . . . 33.12 110.539 -179.989 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 82' ' ' GLU . . . . . 0.433 ' H ' ' CD ' ' A' ' 82' ' ' GLU . 0.3 OUTLIER -59.89 -11.48 5.63 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.253 -0.431 . . . . 34.28 110.51 -179.98 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 83' ' ' GLU . . . . . 0.435 ' HG3' HH11 ' A' ' 86' ' ' ARG . 30.4 tt0 -62.7 -56.27 19.22 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.252 -0.431 . . . . 30.91 110.565 -179.959 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 82.2 mt-10 -60.27 -32.87 71.59 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.221 -0.445 . . . . 22.86 110.573 179.988 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 85' ' ' ILE . . . . . . . . . . . . . 8.1 mt -66.92 -20.48 27.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.231 -0.441 . . . . 19.17 110.569 -179.992 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 86' ' ' ARG . . . . . 0.435 HH11 ' HG3' ' A' ' 83' ' ' GLU . 40.0 mtm180 -82.41 -52.27 7.05 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.15 -0.477 . . . . 26.85 110.53 179.993 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 87' ' ' GLU . . . . . 0.447 ' HA ' ' NH2' ' A' ' 90' ' ' ARG . 4.0 tt0 -68.5 -54.66 15.43 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.174 -0.466 . . . . 16.48 110.561 180.0 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -48.52 -45.31 37.14 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.209 -0.45 . . . . 9.91 110.568 179.998 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 89' ' ' PHE . . . . . 0.499 ' C ' ' CD2' ' A' ' 89' ' ' PHE . 16.1 t80 -65.62 -29.97 70.62 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.239 -0.437 . . . . 8.53 110.584 179.975 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 90' ' ' ARG . . . . . 0.447 ' NH2' ' HA ' ' A' ' 87' ' ' GLU . 14.4 ttm105 -79.71 -18.92 50.13 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.18 -0.464 . . . . 17.58 110.585 179.95 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 91' ' ' VAL . . . . . . . . . . . . . 55.2 t -66.12 -26.52 38.41 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 116.192 -0.458 . . . . 7.82 110.589 -179.982 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 92' ' ' PHE . . . . . 0.491 ' CD1' HG11 ' A' ' 108' ' ' VAL . 86.6 m-85 -95.31 -41.43 9.03 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.161 -0.472 . . . . 9.11 110.702 179.986 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 93' ' ' ASP . . . . . 0.562 ' OD2' ' O ' ' A' ' 99' ' ' TYR . 7.4 t0 -80.36 68.82 6.66 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.198 -0.456 . . . . 11.11 110.655 -179.877 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 77.8 mttt -49.42 -19.02 0.46 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.222 -0.444 . . . . 14.57 111.122 -179.662 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 95' ' ' ASP . . . . . 0.572 ' OD1' ' OE1' ' A' ' 104' ' ' GLU . 1.8 m-20 -78.91 -13.87 59.55 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 120.857 0.36 . . . . 10.2 110.617 -179.918 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 60.49 11.77 23.02 Favored Glycine 0 CA--C 1.525 0.66 0 N-CA-C 111.024 -0.83 . . . . 6.24 111.024 -179.869 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 97' ' ' ASN . . . . . 0.677 ' ND2' ' CE1' ' A' ' 99' ' ' TYR . 32.9 p-10 -73.85 5.84 3.78 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.894 0.378 . . . . 7.56 110.359 179.794 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 98' ' ' GLY . . . . . 0.46 ' O ' ' CZ ' ' A' ' 89' ' ' PHE . . . 67.31 -7.83 1.7 Allowed Glycine 0 CA--C 1.526 0.728 0 N-CA-C 110.979 -0.849 . . . . 7.08 110.979 179.883 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 99' ' ' TYR . . . . . 0.677 ' CE1' ' ND2' ' A' ' 97' ' ' ASN . 0.8 OUTLIER -129.77 141.04 50.93 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.842 0.354 . . . . 9.0 110.58 -179.993 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 12.8 mt -122.1 128.67 75.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.194 -0.457 . . . . 9.29 110.469 179.94 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 101' ' ' SER . . . . . 0.455 ' C ' ' N ' ' A' ' 103' ' ' ALA . 5.2 p -91.91 151.53 20.49 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.276 -0.42 . . . . 7.02 110.675 -179.944 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -44.48 -19.31 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.069 -0.514 . . . . 6.41 110.652 -179.912 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 103' ' ' ALA . . . . . 0.455 ' N ' ' C ' ' A' ' 101' ' ' SER . . . -73.38 -60.02 2.44 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.203 -0.453 . . . . 5.01 110.663 -179.918 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 104' ' ' GLU . . . . . 0.572 ' OE1' ' OD1' ' A' ' 95' ' ' ASP . 8.8 mt-10 -63.85 -42.48 97.56 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.204 -0.453 . . . . 6.84 110.597 -179.944 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 105' ' ' LEU . . . . . 0.655 HD13 ' O ' ' A' ' 105' ' ' LEU . 0.2 OUTLIER -47.61 -51.04 22.65 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.258 -0.428 . . . . 4.99 110.585 -179.958 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 106' ' ' ARG . . . . . 0.569 ' O ' ' OG1' ' A' ' 110' ' ' THR . 55.7 ttt-85 -69.17 -28.13 66.14 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.216 -0.447 . . . . 15.24 110.622 -179.969 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 107' ' ' HIS . . . . . . . . . . . . . 54.2 t-80 -61.04 -45.21 95.71 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.184 -0.462 . . . . 15.69 110.643 -179.981 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 108' ' ' VAL . . . . . 0.491 HG11 ' CD1' ' A' ' 92' ' ' PHE . 55.7 t -68.94 -62.63 1.19 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.164 -0.471 . . . . 12.28 110.673 179.999 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 109' ' ' MET . . . . . . . . . . . . . 3.3 mmt -55.75 -18.81 9.16 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.171 -0.468 . . . . 9.53 110.649 -179.948 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 110' ' ' THR . . . . . 0.569 ' OG1' ' O ' ' A' ' 106' ' ' ARG . 1.4 m -71.38 -50.27 33.82 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.28 -0.418 . . . . 11.87 110.689 -179.963 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 111' ' ' ASN . . . . . . . . . . . . . 21.3 t-20 -74.94 -14.75 60.67 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.291 -0.413 . . . . 21.65 110.62 -179.997 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 112' ' ' LEU . . . . . 0.463 ' HA ' HD22 ' A' ' 112' ' ' LEU . 0.6 OUTLIER -50.04 -24.75 2.84 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.196 -0.457 . . . . 19.55 110.517 -179.988 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . 115.35 -2.0 22.2 Favored Glycine 0 CA--C 1.525 0.678 0 N-CA-C 110.798 -0.921 . . . . 19.66 110.798 -179.912 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 22.6 mp0 -124.54 128.08 48.38 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.723 0.297 . . . . 25.55 110.393 179.691 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 2.0 tptp -85.79 116.94 24.35 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.412 -0.358 . . . . 23.26 110.572 -179.925 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 116' ' ' LEU . . . . . . . . . . . . . 10.2 mt -109.96 145.54 36.76 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.232 -0.44 . . . . 23.07 110.554 179.95 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 117' ' ' THR . . . . . 0.622 ' O ' HG23 ' A' ' 121' ' ' VAL . 15.6 p -69.23 148.69 49.47 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.179 -0.464 . . . . 19.41 110.588 179.975 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 118' ' ' ASP . . . . . . . . . . . . . 9.3 p-10 -74.71 -42.23 58.73 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.213 -0.449 . . . . 18.08 110.572 179.944 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 119' ' ' GLU . . . . . . . . . . . . . 44.8 mt-10 -58.25 -27.69 64.22 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.197 -0.456 . . . . 20.16 110.596 179.991 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 120' ' ' GLU . . . . . . . . . . . . . 1.2 tp10 -82.28 -36.59 26.91 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.174 -0.466 . . . . 14.19 110.545 -179.962 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 121' ' ' VAL . . . . . 0.622 HG23 ' O ' ' A' ' 117' ' ' THR . 93.3 t -70.34 -43.55 78.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.24 -0.436 . . . . 14.97 110.57 179.978 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 122' ' ' ASP . . . . . . . . . . . . . 1.1 t70 -68.04 -51.89 41.67 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.214 -0.448 . . . . 20.12 110.563 179.997 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 123' ' ' GLU . . . . . . . . . . . . . 50.2 tp10 -53.23 -56.03 19.74 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.197 -0.456 . . . . 15.72 110.595 -179.971 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 124' ' ' MET . . . . . . . . . . . . . 10.6 mmt -48.52 -61.52 1.98 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.211 -0.449 . . . . 9.75 110.578 179.975 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 125' ' ' ILE . . . . . 0.469 HD11 ' HG ' ' A' ' 105' ' ' LEU . 21.0 mt -57.3 -53.82 38.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.144 -0.48 . . . . 11.99 110.566 -179.986 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 126' ' ' ARG . . . . . . . . . . . . . 69.3 ttt180 -46.06 -20.53 0.1 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.207 -0.451 . . . . 27.23 110.577 -179.986 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 127' ' ' GLU . . . . . 0.426 ' N ' ' C ' ' A' ' 125' ' ' ILE . 3.9 tt0 -81.85 -49.31 10.51 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.152 -0.476 . . . . 15.5 110.537 -179.969 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 128' ' ' ALA . . . . . . . . . . . . . . . -81.49 -12.89 58.7 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.237 -0.438 . . . . 10.5 110.579 179.994 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 129' ' ' ASP . . . . . 0.59 ' OD2' ' N ' ' A' ' 132' ' ' GLY . 37.1 t0 -72.19 92.78 1.39 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.194 -0.457 . . . . 10.86 110.594 179.975 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 130' ' ' ILE . . . . . . . . . . . . . 30.6 mt -49.53 -44.96 19.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.154 -0.475 . . . . 12.26 110.595 -179.973 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 131' ' ' ASP . . . . . 0.567 ' OD2' ' N ' ' A' ' 131' ' ' ASP . 0.1 OUTLIER -74.8 -17.77 60.57 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.171 -0.468 . . . . 7.79 110.622 -179.984 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 132' ' ' GLY . . . . . 0.59 ' N ' ' OD2' ' A' ' 129' ' ' ASP . . . 49.2 42.31 32.02 Favored Glycine 0 CA--C 1.524 0.635 0 N-CA-C 110.947 -0.861 . . . . 3.93 110.947 -179.97 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 133' ' ' ASP . . . . . 0.477 ' OD2' ' N ' ' A' ' 135' ' ' GLN . 12.9 p30 -100.12 -9.91 22.05 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.749 0.309 . . . . 9.56 110.575 179.972 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 134' ' ' GLY . . . . . . . . . . . . . . . 104.96 5.72 40.79 Favored Glycine 0 CA--C 1.524 0.649 0 N-CA-C 110.933 -0.867 . . . . 7.32 110.933 179.993 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 135' ' ' GLN . . . . . 0.546 ' O ' ' OD1' ' A' ' 129' ' ' ASP . 4.6 mp0 -136.68 157.78 45.98 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.824 0.345 . . . . 22.05 110.559 179.948 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 136' ' ' VAL . . . . . . . . . . . . . 48.5 t -111.71 139.34 36.51 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.233 -0.44 . . . . 10.34 110.605 -179.972 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 137' ' ' ASN . . . . . . . . . . . . . 14.6 m120 -109.78 159.53 17.11 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.146 -0.479 . . . . 12.02 110.355 179.649 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 138' ' ' TYR . . . . . . . . . . . . . 27.1 t80 -54.32 -31.34 53.99 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.381 -0.372 . . . . 8.75 110.497 179.919 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 139' ' ' GLU . . . . . . . . . . . . . 28.5 tt0 -64.32 -41.65 96.7 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.138 -0.483 . . . . 22.33 110.521 179.958 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 140' ' ' GLU . . . . . . . . . . . . . 2.2 mt-10 -61.48 -42.85 99.41 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.178 -0.465 . . . . 13.45 110.493 179.935 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 141' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER -50.18 -44.06 52.73 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.206 -0.452 . . . . 8.25 110.495 179.874 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 142' ' ' VAL . . . . . 0.656 ' O ' ' SD ' ' A' ' 145' ' ' MET . 6.4 t -59.26 -50.74 78.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.17 -0.468 . . . . 10.15 110.469 179.869 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 143' ' ' GLN . . . . . 0.446 ' H ' ' HG2' ' A' ' 143' ' ' GLN . 30.8 mm-40 -43.33 -38.37 2.64 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.194 -0.457 . . . . 8.24 110.48 179.873 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 144' ' ' MET . . . . . . . . . . . . . 2.9 mmt -55.21 -43.64 74.64 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.175 -0.466 . . . . 6.68 110.506 179.941 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 145' ' ' MET . . . . . 0.656 ' SD ' ' O ' ' A' ' 142' ' ' VAL . 1.1 ppp? -93.69 -12.96 28.12 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.23 -0.441 . . . . 13.37 110.55 179.971 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 146' ' ' THR . . . . . 0.652 ' N ' ' SD ' ' A' ' 145' ' ' MET . 0.2 OUTLIER -80.4 10.72 4.28 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.204 -0.453 . . . . 10.78 110.585 179.924 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 147' ' ' ALA . . . . . . . . . . . . . . . -99.33 145.84 26.91 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.166 -0.47 . . . . 18.52 110.518 -179.98 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 148' ' ' LYS . . . . . 0.708 ' H ' ' CD ' ' A' ' 148' ' ' LYS . 0.0 OUTLIER . . . . . 0 C--O 1.22 -0.467 0 CA-C-O 118.01 -0.995 . . . . 23.42 110.547 -179.965 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 401' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 402' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 403' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 404' ' ' ' TB' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 39.6 mm-40 . . . . . 0 C--O 1.23 0.072 0 CA-C-O 120.833 0.349 . . . . 23.46 110.571 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 1.1 tp -78.9 126.92 31.34 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.172 -0.467 . . . . 14.38 110.594 -179.973 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 8.3 m -75.92 155.19 35.4 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.192 -0.458 . . . . 7.34 110.591 -179.98 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 6' ' ' GLU . . . . . 0.419 ' HG3' ' H ' ' A' ' 7' ' ' GLU . 0.8 OUTLIER -52.54 -47.0 67.02 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.196 -0.456 . . . . 7.12 110.561 179.986 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 7' ' ' GLU . . . . . 0.419 ' H ' ' HG3' ' A' ' 6' ' ' GLU . 42.0 mt-10 -52.07 -27.28 13.32 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.187 -0.46 . . . . 6.85 110.551 179.995 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 30.1 mt-30 -90.71 -47.9 7.37 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.218 -0.446 . . . . 15.1 110.543 -179.953 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 69.3 mt -57.3 -32.32 40.58 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.208 -0.451 . . . . 4.72 110.555 -179.95 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -72.24 -59.46 2.72 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.197 -0.456 . . . . 6.68 110.557 -179.964 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 11.2 tp10 -45.49 -39.88 7.79 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.243 -0.435 . . . . 18.49 110.554 -179.946 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 12' ' ' PHE . . . . . 0.5 ' CG ' HD21 ' A' ' 69' ' ' LEU . 3.9 m-85 -63.46 -44.34 94.74 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.22 -0.445 . . . . 14.89 110.596 180.0 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 13.8 ttmm -47.93 -32.32 6.25 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.165 -0.47 . . . . 18.39 110.579 179.909 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -66.63 -51.43 56.4 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.197 -0.456 . . . . 22.76 110.592 179.989 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -45.05 -48.29 11.76 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.238 -0.437 . . . . 5.67 110.543 179.977 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -49.84 -60.23 3.1 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.165 -0.471 . . . . 13.28 110.49 179.984 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -47.34 -21.59 0.31 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.164 -0.471 . . . . 12.16 110.473 179.966 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 18' ' ' LEU . . . . . 0.449 HD22 ' HA ' ' A' ' 18' ' ' LEU . 0.1 OUTLIER -74.96 -37.54 61.93 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.155 -0.475 . . . . 17.89 110.507 179.927 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 47.3 m-85 -90.05 -50.21 6.14 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.225 -0.443 . . . . 9.14 110.589 179.953 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 20' ' ' ASP . . . . . 0.495 ' O ' ' N ' ' A' ' 23' ' ' GLY . 36.7 t0 -79.8 73.86 6.52 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.186 -0.461 . . . . 7.47 110.575 -179.989 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -48.39 -20.88 0.45 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.18 -0.464 . . . . 27.75 110.69 -179.957 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 32.4 m-20 -96.63 -15.32 21.58 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.284 -0.416 . . . . 14.13 110.577 -179.984 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 23' ' ' GLY . . . . . 0.495 ' N ' ' O ' ' A' ' 20' ' ' ASP . . . 55.74 34.87 61.4 Favored Glycine 0 CA--C 1.525 0.702 0 N-CA-C 110.93 -0.868 . . . . 11.51 110.93 -179.956 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 54.0 m-20 -70.8 -18.99 62.73 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.817 0.342 . . . . 14.28 110.666 179.98 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 105.18 2.64 41.72 Favored Glycine 0 CA--C 1.524 0.646 0 N-CA-C 110.92 -0.872 . . . . 9.47 110.92 179.995 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 57.9 p -145.87 138.36 25.58 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.86 0.362 . . . . 16.41 110.552 -179.992 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 27' ' ' ILE . . . . . 0.644 ' HB ' HD12 ' A' ' 63' ' ' ILE . 88.3 mt -98.63 125.7 51.95 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.188 -0.46 . . . . 8.03 110.578 179.971 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 11.8 p -100.45 175.35 5.72 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.177 -0.465 . . . . 7.8 110.58 -179.94 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 29' ' ' THR . . . . . 0.686 HG22 HD23 ' A' ' 48' ' ' LEU . 8.3 m -78.34 -37.99 43.19 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.174 -0.466 . . . . 10.04 110.541 -179.94 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 23.3 tttp -65.24 -32.2 73.75 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.246 -0.434 . . . . 16.38 110.603 -179.917 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 4.9 mt-10 -78.48 -31.41 47.8 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.221 -0.445 . . . . 5.59 110.501 -179.95 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 32' ' ' LEU . . . . . 0.439 HD13 ' CG2' ' A' ' 27' ' ' ILE . 1.8 tp -64.15 -59.85 3.93 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.182 -0.463 . . . . 7.72 110.521 -179.993 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 33' ' ' GLY . . . . . 0.518 ' H ' HD21 ' A' ' 48' ' ' LEU . . . -44.58 -43.4 7.84 Favored Glycine 0 CA--C 1.525 0.683 0 N-CA-C 110.887 -0.885 . . . . 6.93 110.887 -179.995 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 6.7 m -52.2 -36.7 52.76 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.738 0.304 . . . . 9.63 110.478 179.986 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 35' ' ' VAL . . . . . 0.572 ' O ' ' OG ' ' A' ' 38' ' ' SER . 61.3 t -60.19 -55.81 21.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.243 -0.435 . . . . 7.07 110.574 179.977 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 36' ' ' MET . . . . . 0.44 ' CG ' ' NE2' ' A' ' 41' ' ' GLN . 0.0 OUTLIER -59.31 -34.08 71.88 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.225 -0.443 . . . . 10.12 110.508 179.96 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 37' ' ' ARG . . . . . 0.436 ' NH2' ' HG2' ' A' ' 37' ' ' ARG . 29.5 ttt-85 -55.16 -31.24 61.2 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.208 -0.451 . . . . 9.87 110.537 179.999 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 38' ' ' SER . . . . . 0.572 ' OG ' ' O ' ' A' ' 35' ' ' VAL . 53.4 p -80.57 -18.22 49.01 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.213 -0.449 . . . . 8.15 110.505 179.912 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 39' ' ' LEU . . . . . 0.598 HD21 HD11 ' A' ' 112' ' ' LEU . 85.8 mt -90.45 12.41 18.64 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.171 -0.468 . . . . 12.78 110.515 -179.995 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 64.33 27.13 71.2 Favored Glycine 0 CA--C 1.525 0.69 0 N-CA-C 110.911 -0.875 . . . . 9.6 110.911 179.984 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 41' ' ' GLN . . . . . 0.44 ' NE2' ' CG ' ' A' ' 36' ' ' MET . 1.6 tt0 -102.96 155.58 18.26 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.84 0.352 . . . . 20.35 110.621 -179.976 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 42' ' ' ASN . . . . . 0.418 ' ND2' ' N ' ' A' ' 42' ' ' ASN . 0.0 OUTLIER -131.17 80.09 69.35 Favored Pre-proline 0 C--N 1.328 -0.332 0 CA-C-N 116.193 -0.458 . . . . 10.22 110.487 179.976 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 59.2 Cg_endo -77.71 153.51 29.98 Favored 'Trans proline' 0 C--N 1.306 -1.659 0 C-N-CA 122.777 2.318 . . . . 8.63 112.254 -179.801 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 34.4 p -84.48 151.54 24.55 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.073 -0.512 . . . . 4.83 110.588 179.943 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 16.5 mt-10 -53.08 -31.43 41.75 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.223 -0.444 . . . . 16.78 110.578 -179.998 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -75.38 -43.31 50.89 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.173 -0.467 . . . . 4.8 110.546 -179.984 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 14.2 mm-40 -54.83 -60.86 2.78 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.193 -0.458 . . . . 6.18 110.49 -179.965 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 48' ' ' LEU . . . . . 0.686 HD23 HG22 ' A' ' 29' ' ' THR . 3.2 tp -52.37 -48.84 65.34 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.229 -0.442 . . . . 6.65 110.576 179.983 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 2.1 tt0 -54.48 -46.59 73.43 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.169 -0.468 . . . . 7.05 110.537 179.971 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 6.7 m-20 -66.49 -26.05 66.99 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.22 -0.446 . . . . 6.72 110.577 179.979 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 51' ' ' MET . . . . . 0.571 ' SD ' ' C ' ' A' ' 51' ' ' MET . 0.1 OUTLIER -70.18 -56.92 5.62 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.161 -0.472 . . . . 13.6 110.555 179.949 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 52' ' ' ILE . . . . . 0.527 HG13 HG23 ' A' ' 29' ' ' THR . 3.9 mm -49.02 -42.31 14.32 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.193 -0.458 . . . . 8.71 110.514 -179.996 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -50.98 -46.85 61.45 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.253 -0.431 . . . . 9.04 110.507 179.962 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 2.7 tt0 -51.2 -37.39 46.42 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.217 -0.447 . . . . 23.58 110.576 -179.982 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 55' ' ' VAL . . . . . 0.505 HG11 HD13 ' A' ' 63' ' ' ILE . 21.6 t -91.02 -17.49 7.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.18 -0.464 . . . . 7.6 110.589 179.99 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 56' ' ' ASP . . . . . 0.521 ' OD1' ' O ' ' A' ' 62' ' ' THR . 1.4 t70 -100.69 84.6 2.76 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.168 -0.469 . . . . 12.55 110.559 179.99 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -78.2 -28.76 48.1 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.166 -0.47 . . . . 15.13 110.603 179.99 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 58' ' ' ASP . . . . . 0.466 ' OD2' ' OE2' ' A' ' 67' ' ' GLU . 1.1 m-20 -85.34 -10.61 56.14 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.213 -0.449 . . . . 14.32 110.509 -179.978 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 59.14 35.06 82.51 Favored Glycine 0 CA--C 1.524 0.62 0 N-CA-C 110.951 -0.86 . . . . 13.64 110.951 -179.965 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 60' ' ' ASP . . . . . 0.519 ' OD2' ' OG1' ' A' ' 62' ' ' THR . 12.3 p-10 -83.69 -15.45 48.71 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.826 0.346 . . . . 13.27 110.535 -179.955 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 90.96 13.22 59.38 Favored Glycine 0 CA--C 1.525 0.678 0 N-CA-C 110.925 -0.87 . . . . 11.65 110.925 179.971 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 62' ' ' THR . . . . . 0.521 ' O ' ' OD1' ' A' ' 56' ' ' ASP . 3.2 p -152.71 165.23 35.95 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.789 0.328 . . . . 11.55 110.569 -179.954 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 63' ' ' ILE . . . . . 0.644 HD12 ' HB ' ' A' ' 27' ' ' ILE . 68.2 mt -115.75 141.41 33.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.175 -0.466 . . . . 10.06 110.539 -179.959 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 64' ' ' ASP . . . . . 0.506 ' OD1' ' OE1' ' A' ' 67' ' ' GLU . 7.3 m-20 -106.87 -174.53 2.56 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.202 -0.454 . . . . 11.33 110.635 -179.885 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 65' ' ' PHE . . . . . 0.526 ' N ' ' HD2' ' A' ' 66' ' ' PRO . 0.1 OUTLIER -74.73 -49.48 4.63 Favored Pre-proline 0 C--N 1.33 -0.254 0 CA-C-N 116.163 -0.471 . . . . 7.4 111.171 -179.912 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 66' ' ' PRO . . . . . 0.526 ' HD2' ' N ' ' A' ' 65' ' ' PHE . 46.7 Cg_endo -73.9 -16.93 22.97 Favored 'Trans proline' 0 C--N 1.309 -1.507 0 C-N-CA 122.251 1.968 . . . . 6.66 112.051 -179.79 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 67' ' ' GLU . . . . . 0.506 ' OE1' ' OD1' ' A' ' 64' ' ' ASP . 43.5 mt-10 -91.66 -24.74 19.42 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.121 -0.49 . . . . 7.44 110.363 179.782 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 68' ' ' PHE . . . . . . . . . . . . . 10.8 t80 -82.83 -28.45 30.16 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.101 -0.499 . . . . 8.58 110.713 -179.949 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 69' ' ' LEU . . . . . 0.5 HD21 ' CG ' ' A' ' 12' ' ' PHE . 0.7 OUTLIER -83.95 -36.94 22.89 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.289 -0.414 . . . . 9.43 110.354 179.537 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 70' ' ' THR . . . . . 0.456 ' O ' ' N ' ' A' ' 74' ' ' ARG . 0.1 OUTLIER -54.96 -57.86 9.96 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.061 -0.518 . . . . 7.53 110.593 -179.983 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 71' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -47.86 -37.42 13.9 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.195 -0.457 . . . . 11.86 110.446 -179.973 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 72' ' ' MET . . . . . . . . . . . . . 2.0 mmt -83.19 -34.92 25.83 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.179 -0.464 . . . . 22.32 110.645 179.994 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 73' ' ' ALA . . . . . 0.445 ' N ' ' O ' ' A' ' 69' ' ' LEU . . . -75.45 -56.45 4.69 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.244 -0.435 . . . . 9.15 110.655 -179.979 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 74' ' ' ARG . . . . . 0.513 ' CG ' ' N ' ' A' ' 75' ' ' LYS . 8.6 ptm180 -45.26 -44.0 10.9 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.218 -0.446 . . . . 13.8 110.516 -179.997 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 75' ' ' LYS . . . . . 0.513 ' N ' ' CG ' ' A' ' 74' ' ' ARG . 21.3 mttt -51.63 -45.49 63.32 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.198 -0.455 . . . . 25.18 110.54 179.998 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 76' ' ' MET . . . . . . . . . . . . . 6.2 tpt -53.94 -38.34 64.81 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.245 -0.434 . . . . 34.79 110.583 179.942 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 77' ' ' LYS . . . . . 0.563 ' O ' ' OD1' ' A' ' 78' ' ' ASP . 21.6 tttt -95.76 40.0 1.12 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.195 -0.457 . . . . 37.65 110.584 -179.972 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 78' ' ' ASP . . . . . 0.563 ' OD1' ' O ' ' A' ' 77' ' ' LYS . 1.2 m-20 -155.94 -177.36 6.51 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.222 -0.445 . . . . 42.58 110.548 -179.971 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -72.18 161.37 30.97 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.194 -0.457 . . . . 38.4 110.515 179.955 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 22.3 t70 -122.0 146.76 46.85 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.189 -0.459 . . . . 37.51 110.575 179.993 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 58.6 m -111.81 121.18 44.37 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.147 -0.479 . . . . 33.12 110.577 -179.979 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 82' ' ' GLU . . . . . 0.652 ' N ' ' OE2' ' A' ' 82' ' ' GLU . 1.0 OUTLIER -66.92 -10.32 47.54 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.231 -0.441 . . . . 34.28 110.573 -179.992 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 34.9 mt-10 -57.31 -34.18 68.46 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.226 -0.443 . . . . 30.91 110.591 -179.997 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -83.07 -45.34 14.13 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.219 -0.446 . . . . 22.86 110.598 -179.971 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 85' ' ' ILE . . . . . . . . . . . . . 86.0 mt -50.77 -33.89 12.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.189 -0.46 . . . . 19.17 110.659 -179.965 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 86' ' ' ARG . . . . . 0.47 ' HG3' ' N ' ' A' ' 87' ' ' GLU . 4.5 ptm180 -83.5 -53.36 5.75 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.223 -0.444 . . . . 26.85 110.616 -179.985 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 87' ' ' GLU . . . . . 0.917 ' O ' HG23 ' A' ' 91' ' ' VAL . 3.2 tt0 -58.29 -40.01 80.84 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.212 -0.449 . . . . 16.48 110.656 -179.94 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -71.98 -30.08 64.9 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.23 -0.441 . . . . 9.91 110.678 -179.958 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 89' ' ' PHE . . . . . 0.432 ' C ' ' CD2' ' A' ' 89' ' ' PHE . 23.5 t80 -73.63 -45.54 52.24 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.239 -0.437 . . . . 8.53 110.633 -179.969 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 8.5 ptt180 -73.34 -18.85 61.14 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.239 -0.437 . . . . 17.58 110.517 -179.948 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 91' ' ' VAL . . . . . 0.917 HG23 ' O ' ' A' ' 87' ' ' GLU . 4.6 t -65.29 -27.09 41.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.161 -0.472 . . . . 7.82 110.596 -179.971 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 92' ' ' PHE . . . . . 0.594 ' CE1' HG11 ' A' ' 108' ' ' VAL . 8.9 m-85 -95.32 -50.51 4.99 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.264 -0.425 . . . . 9.11 110.721 -179.95 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 93' ' ' ASP . . . . . 0.644 ' CG ' HD21 ' A' ' 97' ' ' ASN . 16.2 t0 -68.96 68.82 0.17 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.222 -0.444 . . . . 11.11 110.622 -179.923 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -48.77 -18.56 0.28 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.184 -0.462 . . . . 14.57 111.165 -179.659 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 95' ' ' ASP . . . . . 0.496 ' CB ' ' ND2' ' A' ' 97' ' ' ASN . 5.5 m-20 -77.56 -12.53 59.97 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-O 120.867 0.365 . . . . 10.2 110.647 -179.857 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 60.12 9.66 12.1 Favored Glycine 0 CA--C 1.524 0.652 0 N-CA-C 111.048 -0.821 . . . . 6.24 111.048 -179.953 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 97' ' ' ASN . . . . . 0.895 ' H ' HD22 ' A' ' 97' ' ' ASN . 0.2 OUTLIER -69.68 2.32 3.38 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.886 0.374 . . . . 7.56 110.436 179.841 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 98' ' ' GLY . . . . . 0.455 ' C ' ' CD2' ' A' ' 99' ' ' TYR . . . 64.88 10.92 48.5 Favored Glycine 0 CA--C 1.524 0.622 0 N-CA-C 111.012 -0.835 . . . . 7.08 111.012 179.982 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 99' ' ' TYR . . . . . 0.664 ' CE1' ' O ' ' A' ' 97' ' ' ASN . 2.0 m-85 -130.31 136.59 49.3 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.81 0.338 . . . . 9.0 110.572 179.94 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 28.5 mt -116.18 107.46 22.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.17 -0.468 . . . . 9.29 110.554 -179.991 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -87.94 151.69 22.62 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.261 -0.427 . . . . 7.02 110.655 -179.88 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -50.99 -24.17 3.49 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.137 -0.483 . . . . 6.41 110.677 -179.947 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -64.14 -60.02 3.73 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.193 -0.458 . . . . 5.01 110.612 -179.892 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 104' ' ' GLU . . . . . 0.577 ' OE1' ' OD1' ' A' ' 93' ' ' ASP . 4.8 pt-20 -69.77 -24.8 63.56 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.19 -0.459 . . . . 6.84 110.649 -179.938 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 105' ' ' LEU . . . . . . . . . . . . . 26.9 tp -63.74 -48.53 76.65 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.25 -0.432 . . . . 4.99 110.443 179.949 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 106' ' ' ARG . . . . . 0.573 ' O ' ' OG1' ' A' ' 110' ' ' THR . 1.3 ttm180 -71.56 -15.86 62.29 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.201 -0.454 . . . . 15.24 110.551 -179.981 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 107' ' ' HIS . . . . . . . . . . . . . 84.4 t60 -72.58 -36.64 68.21 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.184 -0.462 . . . . 15.69 110.622 -179.941 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 108' ' ' VAL . . . . . 0.594 HG11 ' CE1' ' A' ' 92' ' ' PHE . 7.1 t -76.95 -62.67 1.27 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.225 -0.443 . . . . 12.28 110.586 -179.964 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 109' ' ' MET . . . . . 0.578 ' O ' ' O ' ' A' ' 114' ' ' GLU . 2.9 mmt -52.34 -25.77 10.54 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.215 -0.448 . . . . 9.53 110.673 -179.898 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 110' ' ' THR . . . . . 0.573 ' OG1' ' O ' ' A' ' 106' ' ' ARG . 3.9 m -73.69 -51.38 16.85 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.276 -0.42 . . . . 11.87 110.903 -179.781 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 111' ' ' ASN . . . . . 0.503 ' OD1' ' N ' ' A' ' 112' ' ' LEU . 20.7 p30 -78.78 -22.66 46.02 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.396 -0.365 . . . . 21.65 110.807 -179.806 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 112' ' ' LEU . . . . . 0.598 HD11 HD21 ' A' ' 39' ' ' LEU . 4.8 tp -50.07 -15.38 0.21 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.298 -0.41 . . . . 19.55 110.558 -179.926 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 113' ' ' GLY . . . . . 0.419 ' N ' ' C ' ' A' ' 111' ' ' ASN . . . 115.17 -3.79 22.25 Favored Glycine 0 CA--C 1.524 0.639 0 N-CA-C 110.919 -0.872 . . . . 19.66 110.919 179.984 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 114' ' ' GLU . . . . . 0.578 ' O ' ' O ' ' A' ' 109' ' ' MET . 1.4 tm-20 -124.21 120.08 31.23 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.788 0.328 . . . . 25.55 110.5 179.883 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 13.1 mmtp -78.78 117.5 19.96 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.318 -0.401 . . . . 23.26 110.535 -179.892 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 116' ' ' LEU . . . . . 0.667 ' CD2' ' N ' ' A' ' 116' ' ' LEU . 1.6 mm? -85.37 154.35 21.92 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.166 -0.47 . . . . 23.07 110.545 -179.972 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 117' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -91.94 148.76 21.96 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.221 -0.445 . . . . 19.41 110.57 179.988 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 118' ' ' ASP . . . . . 0.562 ' O ' ' OD1' ' A' ' 122' ' ' ASP . 1.0 OUTLIER -50.46 -38.76 45.46 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.185 -0.462 . . . . 18.08 110.498 -179.986 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 119' ' ' GLU . . . . . 0.585 ' OE1' ' N ' ' A' ' 119' ' ' GLU . 1.7 mp0 -75.85 -44.33 41.36 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.177 -0.465 . . . . 20.16 110.535 -179.97 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 120' ' ' GLU . . . . . . . . . . . . . 4.2 mm-40 -45.49 -56.29 5.23 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.233 -0.439 . . . . 14.19 110.531 -180.0 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 121' ' ' VAL . . . . . 0.521 HG21 ' HG3' ' A' ' 106' ' ' ARG . 14.7 t -65.65 -62.08 1.4 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.21 -0.45 . . . . 14.97 110.61 -180.0 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 122' ' ' ASP . . . . . 0.562 ' OD1' ' O ' ' A' ' 118' ' ' ASP . 3.6 m-20 -45.38 -22.73 0.15 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.188 -0.46 . . . . 20.12 110.608 179.941 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 123' ' ' GLU . . . . . 0.411 ' N ' ' C ' ' A' ' 121' ' ' VAL . 17.0 tp10 -75.87 -54.86 6.25 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.195 -0.457 . . . . 15.72 110.578 179.961 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 124' ' ' MET . . . . . . . . . . . . . 6.4 tpt -55.71 -55.36 33.16 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.212 -0.449 . . . . 9.75 110.54 -179.978 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 125' ' ' ILE . . . . . 0.441 ' O ' ' N ' ' A' ' 129' ' ' ASP . 26.6 mm -44.64 -55.8 0.95 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.205 -0.452 . . . . 11.99 110.546 -179.998 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 126' ' ' ARG . . . . . . . . . . . . . 8.2 ttt-85 -43.63 -35.38 1.75 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.196 -0.457 . . . . 27.23 110.58 179.972 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 127' ' ' GLU . . . . . . . . . . . . . 2.6 tm-20 -74.33 -54.57 7.39 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.197 -0.456 . . . . 15.5 110.582 179.997 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 128' ' ' ALA . . . . . 0.448 ' O ' ' OE1' ' A' ' 140' ' ' GLU . . . -65.83 -21.1 66.45 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.207 -0.452 . . . . 10.5 110.559 179.963 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 129' ' ' ASP . . . . . 0.441 ' N ' ' O ' ' A' ' 125' ' ' ILE . 0.6 OUTLIER -60.88 111.94 1.86 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.169 -0.469 . . . . 10.86 110.528 179.992 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 130' ' ' ILE . . . . . . . . . . . . . 3.1 mt -79.64 -50.31 18.17 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.258 -0.428 . . . . 12.26 110.572 179.812 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 131' ' ' ASP . . . . . 0.439 ' OD2' ' N ' ' A' ' 131' ' ' ASP . 0.0 OUTLIER -110.64 11.07 22.85 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.146 -0.479 . . . . 7.79 110.66 179.952 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 132' ' ' GLY . . . . . . . . . . . . . . . 64.94 54.14 29.82 Favored Glycine 0 CA--C 1.525 0.674 0 N-CA-C 110.873 -0.891 . . . . 3.93 110.873 -179.94 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 133' ' ' ASP . . . . . . . . . . . . . 2.3 m-20 -100.99 -30.21 11.76 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.739 0.304 . . . . 9.56 110.631 -179.97 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 134' ' ' GLY . . . . . . . . . . . . . . . 105.08 4.96 41.32 Favored Glycine 0 CA--C 1.525 0.681 0 N-CA-C 110.996 -0.842 . . . . 7.32 110.996 -179.955 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 135' ' ' GLN . . . . . . . . . . . . . 1.5 mt-30 -129.31 155.18 46.02 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.68 0.276 . . . . 22.05 110.486 179.967 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 136' ' ' VAL . . . . . . . . . . . . . 46.0 t -111.27 135.0 51.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.336 -0.393 . . . . 10.34 110.626 -179.916 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 137' ' ' ASN . . . . . 0.65 ' H ' ' CD ' ' A' ' 140' ' ' GLU . 0.2 OUTLIER -109.81 159.55 17.11 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.058 -0.519 . . . . 12.02 110.315 179.681 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 138' ' ' TYR . . . . . 0.529 ' CD2' ' C ' ' A' ' 138' ' ' TYR . 7.7 t80 -54.19 -30.87 51.28 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.829 0.347 . . . . 8.75 110.503 179.949 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 139' ' ' GLU . . . . . 0.485 ' OE2' ' CG ' ' A' ' 143' ' ' GLN . 1.5 tm-20 -66.23 -39.85 89.84 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.172 -0.467 . . . . 22.33 110.486 179.92 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 140' ' ' GLU . . . . . 0.65 ' CD ' ' H ' ' A' ' 137' ' ' ASN . 4.7 mt-10 -61.91 -43.33 99.06 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.206 -0.452 . . . . 13.45 110.441 -179.993 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 141' ' ' PHE . . . . . . . . . . . . . 0.6 OUTLIER -50.12 -42.02 49.79 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.22 -0.445 . . . . 8.25 110.483 179.954 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 142' ' ' VAL . . . . . . . . . . . . . 70.7 t -67.67 -38.2 79.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.155 -0.475 . . . . 10.15 110.558 179.971 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 143' ' ' GLN . . . . . 0.485 ' CG ' ' OE2' ' A' ' 139' ' ' GLU . 22.3 mm100 -52.32 -52.64 51.95 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.224 -0.443 . . . . 8.24 110.525 179.947 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 144' ' ' MET . . . . . . . . . . . . . 2.5 ttp -49.43 -40.58 37.15 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.192 -0.458 . . . . 6.68 110.572 -179.997 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 145' ' ' MET . . . . . 0.561 ' CG ' ' O ' ' A' ' 145' ' ' MET . 0.8 OUTLIER -64.92 -3.9 3.94 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.183 -0.462 . . . . 13.37 110.523 179.977 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 146' ' ' THR . . . . . . . . . . . . . 29.8 p -111.44 -25.62 9.52 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.19 -0.459 . . . . 10.78 110.536 179.98 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 147' ' ' ALA . . . . . . . . . . . . . . . -70.21 129.19 38.69 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.184 -0.462 . . . . 18.52 110.563 -179.962 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 148' ' ' LYS . . . . . . . . . . . . . 25.7 mttm . . . . . 0 C--O 1.22 -0.493 0 CA-C-O 117.966 -1.016 . . . . 23.42 110.573 -179.989 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 401' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 402' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 403' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 404' ' ' ' TB' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 2.9 mm100 . . . . . 0 C--O 1.231 0.086 0 CA-C-O 120.81 0.338 . . . . 23.46 110.542 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 4' ' ' LEU . . . . . 0.722 HD23 HG12 ' A' ' 9' ' ' ILE . 5.2 tp -74.18 131.54 41.36 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.185 -0.462 . . . . 14.38 110.581 -179.987 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 5' ' ' THR . . . . . 0.419 HG23 ' H ' ' A' ' 5' ' ' THR . 2.3 p -74.3 147.64 42.13 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.214 -0.448 . . . . 7.34 110.545 -179.979 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 6' ' ' GLU . . . . . 0.621 ' CD ' ' H ' ' A' ' 6' ' ' GLU . 3.8 mp0 -54.69 -43.74 72.76 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.169 -0.469 . . . . 7.12 110.585 179.969 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 5.0 mt-10 -54.61 -34.76 62.55 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.196 -0.456 . . . . 6.85 110.555 -179.981 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 8' ' ' GLN . . . . . 0.463 ' OE1' ' N ' ' A' ' 8' ' ' GLN . 1.0 OUTLIER -79.09 -42.46 26.3 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.155 -0.475 . . . . 15.1 110.579 179.986 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 9' ' ' ILE . . . . . 0.722 HG12 HD23 ' A' ' 4' ' ' LEU . 92.0 mt -62.51 -35.31 69.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.214 -0.448 . . . . 4.72 110.544 -179.925 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -63.21 -59.52 4.64 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.23 -0.441 . . . . 6.68 110.573 -179.902 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 38.0 mt-10 -46.86 -30.22 2.39 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.19 -0.459 . . . . 18.49 110.63 -179.994 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 12' ' ' PHE . . . . . 0.457 ' HB3' HD21 ' A' ' 69' ' ' LEU . 4.9 m-85 -70.54 -44.59 67.18 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.233 -0.439 . . . . 14.89 110.611 -179.979 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 3.3 mtpt -46.82 -36.53 7.51 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.213 -0.449 . . . . 18.39 110.572 -179.975 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 48.6 tt0 -67.13 -38.3 85.34 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.223 -0.444 . . . . 22.76 110.527 179.994 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -55.24 -58.2 8.67 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.226 -0.443 . . . . 5.67 110.559 179.977 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 16' ' ' PHE . . . . . 0.467 ' CE2' ' HB2' ' A' ' 20' ' ' ASP . 1.8 t80 -45.29 -56.77 4.54 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.197 -0.456 . . . . 13.28 110.526 179.95 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -47.8 -21.44 0.4 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.185 -0.461 . . . . 12.16 110.554 179.923 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 11.5 tp -78.28 -37.97 43.73 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.158 -0.474 . . . . 17.89 110.569 -179.998 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 25.8 m-85 -90.07 -50.36 6.05 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.265 -0.425 . . . . 9.14 110.609 179.975 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 20' ' ' ASP . . . . . 0.467 ' HB2' ' CE2' ' A' ' 16' ' ' PHE . 7.7 t70 -83.68 79.82 9.33 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.209 -0.451 . . . . 7.47 110.571 -179.977 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 1.9 ptmm? -77.11 -19.61 56.74 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.167 -0.47 . . . . 27.75 110.648 -179.956 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 2.4 p30 -81.27 -15.3 55.92 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.24 -0.437 . . . . 14.13 110.661 -179.884 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 60.67 40.47 98.03 Favored Glycine 0 CA--C 1.525 0.699 0 N-CA-C 110.968 -0.853 . . . . 11.51 110.968 -179.993 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 24' ' ' ASP . . . . . 0.529 ' OD2' ' O ' ' A' ' 24' ' ' ASP . 1.8 t0 -86.57 -26.69 24.36 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 120.759 0.314 . . . . 14.28 110.622 -179.972 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 105.13 -3.92 41.07 Favored Glycine 0 CA--C 1.525 0.688 0 N-CA-C 110.893 -0.883 . . . . 9.47 110.893 -179.994 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 2.5 p -146.23 142.47 28.41 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.802 0.334 . . . . 16.41 110.538 179.958 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 27' ' ' ILE . . . . . 0.523 ' H ' ' HB ' ' A' ' 63' ' ' ILE . 35.4 mt -104.78 130.07 56.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.184 -0.462 . . . . 8.03 110.612 179.997 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 69.5 p -99.24 175.27 5.94 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.196 -0.456 . . . . 7.8 110.555 -179.946 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 29' ' ' THR . . . . . 0.633 ' HA ' HD11 ' A' ' 52' ' ' ILE . 9.0 m -77.21 -46.11 24.33 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.215 -0.448 . . . . 10.04 110.596 179.988 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 15.7 tptp -54.24 -30.84 51.69 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.18 -0.464 . . . . 16.38 110.555 -179.918 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 31' ' ' GLU . . . . . 0.697 ' O ' HG23 ' A' ' 35' ' ' VAL . 56.8 mt-10 -85.32 -32.67 22.36 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.225 -0.443 . . . . 5.59 110.55 179.972 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 1.1 tt -65.39 -59.84 3.6 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.188 -0.46 . . . . 7.72 110.599 -179.949 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -50.31 -52.77 26.62 Favored Glycine 0 CA--C 1.525 0.656 0 N-CA-C 110.993 -0.843 . . . . 6.93 110.993 179.992 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 22.5 m -44.51 -36.04 2.78 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.82 0.343 . . . . 9.63 110.593 179.965 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 35' ' ' VAL . . . . . 0.697 HG23 ' O ' ' A' ' 31' ' ' GLU . 58.8 t -69.4 -42.75 81.18 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.2 -0.454 . . . . 7.07 110.62 -179.965 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 36' ' ' MET . . . . . 0.492 ' O ' ' N ' ' A' ' 39' ' ' LEU . 0.0 OUTLIER -71.83 -54.05 11.37 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.2 -0.455 . . . . 10.12 110.54 179.976 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 7.3 ttp180 -47.99 -29.76 3.73 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.162 -0.472 . . . . 9.87 110.548 -179.965 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -84.62 -19.42 33.0 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.224 -0.443 . . . . 8.15 110.542 -179.987 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 39' ' ' LEU . . . . . 0.492 ' N ' ' O ' ' A' ' 36' ' ' MET . 14.2 mt -81.7 10.94 5.28 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.193 -0.458 . . . . 12.78 110.583 179.981 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 82.63 -0.16 89.56 Favored Glycine 0 CA--C 1.525 0.682 0 N-CA-C 110.94 -0.864 . . . . 9.6 110.94 179.991 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 3.9 tt0 -90.62 152.51 20.84 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.822 0.344 . . . . 20.35 110.582 -179.963 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 10.5 m120 -126.57 80.07 70.41 Favored Pre-proline 0 C--N 1.33 -0.265 0 CA-C-N 116.156 -0.474 . . . . 10.22 110.487 179.981 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 60.6 Cg_endo -78.32 137.63 15.18 Favored 'Trans proline' 0 C--N 1.306 -1.699 0 C-N-CA 122.822 2.348 . . . . 8.63 112.2 -179.901 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -80.02 168.98 18.49 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.105 -0.498 . . . . 4.83 110.546 179.946 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 37.3 mt-10 -60.47 -36.93 79.45 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.271 -0.422 . . . . 16.78 110.514 179.983 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -67.65 -23.07 65.3 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.216 -0.447 . . . . 4.8 110.525 -179.989 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 26.9 mt-10 -74.71 -57.94 3.6 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.204 -0.453 . . . . 6.18 110.534 -179.994 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 48' ' ' LEU . . . . . 0.486 HD13 ' HA ' ' A' ' 48' ' ' LEU . 3.7 mm? -51.37 -54.2 28.82 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.185 -0.462 . . . . 6.65 110.559 -179.999 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 26.3 mt-30 -52.82 -34.92 56.14 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.194 -0.457 . . . . 7.05 110.503 179.924 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 68.9 m-20 -73.22 -31.22 64.03 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.181 -0.463 . . . . 6.72 110.501 179.992 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 51' ' ' MET . . . . . 0.611 ' O ' HG22 ' A' ' 55' ' ' VAL . 5.5 tpt -78.08 -61.21 2.07 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.202 -0.454 . . . . 13.6 110.543 -179.99 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 52' ' ' ILE . . . . . 0.633 HD11 ' HA ' ' A' ' 29' ' ' THR . 6.1 mm -49.34 -52.25 11.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.168 -0.469 . . . . 8.71 110.533 179.971 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 14.0 t30 -57.33 -41.25 79.61 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.286 -0.416 . . . . 9.04 110.548 179.972 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 3.7 mm-40 -58.37 -49.84 75.79 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.179 -0.464 . . . . 23.58 110.744 -179.835 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 55' ' ' VAL . . . . . 0.611 HG22 ' O ' ' A' ' 51' ' ' MET . 0.0 OUTLIER -80.67 -0.31 4.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.268 -0.423 . . . . 7.6 110.695 -179.891 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 36.2 t0 -107.65 110.01 21.77 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.241 -0.436 . . . . 12.55 110.52 179.983 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -82.76 -44.65 15.34 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.146 -0.479 . . . . 15.13 110.58 -179.991 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 16.2 m-20 -76.65 -10.81 59.65 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.25 -0.432 . . . . 14.32 110.576 179.984 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 53.9 21.28 16.06 Favored Glycine 0 CA--C 1.524 0.645 0 N-CA-C 110.962 -0.855 . . . . 13.64 110.962 -179.972 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 60' ' ' ASP . . . . . 0.587 ' OD2' ' N ' ' A' ' 60' ' ' ASP . 7.6 p-10 -73.55 -20.76 60.55 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-O 120.839 0.352 . . . . 13.27 110.594 179.98 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 104.97 29.64 5.13 Favored Glycine 0 CA--C 1.524 0.638 0 N-CA-C 110.914 -0.875 . . . . 11.65 110.914 179.968 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 62' ' ' THR . . . . . 0.406 ' OG1' ' OD1' ' A' ' 60' ' ' ASP . 0.1 OUTLIER -149.21 150.73 33.09 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.826 0.346 . . . . 11.55 110.559 179.992 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 63' ' ' ILE . . . . . 0.551 HD12 ' HB ' ' A' ' 55' ' ' VAL . 46.4 mm -101.47 137.28 29.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.181 -0.463 . . . . 10.06 110.532 -179.956 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 64' ' ' ASP . . . . . 0.542 ' CG ' ' OE2' ' A' ' 67' ' ' GLU . 0.8 OUTLIER -113.4 -173.3 2.24 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.275 -0.42 . . . . 11.33 110.634 -179.934 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 65' ' ' PHE . . . . . 0.516 ' N ' ' HD2' ' A' ' 66' ' ' PRO . 0.3 OUTLIER -85.17 -46.72 0.64 Allowed Pre-proline 0 C--N 1.33 -0.244 0 CA-C-N 116.278 -0.419 . . . . 7.4 111.428 -179.624 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 66' ' ' PRO . . . . . 0.516 ' HD2' ' N ' ' A' ' 65' ' ' PHE . 56.1 Cg_endo -76.46 -24.77 10.29 Favored 'Trans proline' 0 C--N 1.31 -1.473 0 C-N-CA 122.295 1.997 . . . . 6.66 112.409 -179.466 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 67' ' ' GLU . . . . . 0.542 ' OE2' ' CG ' ' A' ' 64' ' ' ASP . 9.8 pt-20 -91.59 -19.68 22.47 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.392 -0.367 . . . . 7.44 110.453 179.896 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 68' ' ' PHE . . . . . 0.468 ' CB ' ' O ' ' A' ' 64' ' ' ASP . 36.0 t80 -82.9 -30.78 28.23 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.215 -0.448 . . . . 8.58 110.528 179.882 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 69' ' ' LEU . . . . . 0.516 HD12 ' O ' ' A' ' 65' ' ' PHE . 10.8 mt -83.73 -38.85 20.86 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.165 -0.47 . . . . 9.43 110.337 179.576 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 31.8 m -57.32 -52.82 63.8 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.051 -0.522 . . . . 7.53 110.595 -179.977 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 71' ' ' MET . . . . . 0.567 ' C ' ' SD ' ' A' ' 71' ' ' MET . 0.1 OUTLIER -47.97 -49.58 30.17 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.205 -0.452 . . . . 11.86 110.551 179.963 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 72' ' ' MET . . . . . . . . . . . . . 3.0 mmt -72.38 -46.29 56.0 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.192 -0.458 . . . . 22.32 110.551 179.985 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -56.34 -53.45 57.22 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.214 -0.448 . . . . 9.15 110.601 179.989 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 53.7 ttp180 -45.28 -39.7 6.82 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.233 -0.439 . . . . 13.8 110.525 -179.979 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 75' ' ' LYS . . . . . 0.55 ' O ' ' OD1' ' A' ' 78' ' ' ASP . 0.6 OUTLIER -50.97 -45.09 60.77 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.202 -0.453 . . . . 25.18 110.542 179.947 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 76' ' ' MET . . . . . . . . . . . . . 12.7 mtt -66.58 -21.41 66.14 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.169 -0.469 . . . . 34.79 110.542 -179.965 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 19.6 tttm -107.24 38.61 2.08 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.174 -0.467 . . . . 37.65 110.595 179.996 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 78' ' ' ASP . . . . . 0.55 ' OD1' ' O ' ' A' ' 75' ' ' LYS . 2.0 p-10 -160.65 -174.85 4.65 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.197 -0.456 . . . . 42.58 110.566 -179.976 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 23.6 p -72.16 162.87 28.85 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.162 -0.472 . . . . 38.4 110.549 -179.977 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -124.78 149.36 47.45 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.241 -0.436 . . . . 37.51 110.622 179.949 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 4.9 p -117.08 132.23 56.73 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.225 -0.443 . . . . 33.12 110.595 -179.997 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -71.07 -10.31 59.54 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.231 -0.441 . . . . 34.28 110.586 179.974 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 46.4 mt-10 -60.14 -53.84 53.01 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.186 -0.461 . . . . 30.91 110.575 -179.997 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 24.1 tt0 -65.39 -46.11 81.39 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.186 -0.461 . . . . 22.86 110.601 -179.986 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 85' ' ' ILE . . . . . . . . . . . . . 52.1 mt -52.65 -24.3 6.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.206 -0.452 . . . . 19.17 110.556 179.992 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 4.1 mmm180 -79.25 -51.38 9.54 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.169 -0.469 . . . . 26.85 110.54 -179.983 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 87' ' ' GLU . . . . . 0.59 ' O ' HG23 ' A' ' 91' ' ' VAL . 67.7 mm-40 -56.47 -62.46 1.71 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.254 -0.43 . . . . 16.48 110.556 -180.0 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 88' ' ' ALA . . . . . 0.472 ' O ' ' CD2' ' A' ' 92' ' ' PHE . . . -48.12 -36.72 13.85 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.198 -0.456 . . . . 9.91 110.521 179.972 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 50.3 t80 -70.58 -57.56 4.61 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.19 -0.459 . . . . 8.53 110.488 -179.964 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 11.7 mmm180 -57.18 -18.57 16.13 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.16 -0.473 . . . . 17.58 110.587 179.925 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 91' ' ' VAL . . . . . 0.59 HG23 ' O ' ' A' ' 87' ' ' GLU . 43.1 t -77.37 -17.87 14.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.155 -0.475 . . . . 7.82 110.658 -179.9 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 92' ' ' PHE . . . . . 0.472 ' CD2' ' O ' ' A' ' 88' ' ' ALA . 46.6 m-85 -95.36 -53.87 3.61 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.343 -0.39 . . . . 9.11 110.673 -179.882 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 93' ' ' ASP . . . . . 0.573 ' OD2' ' O ' ' A' ' 99' ' ' TYR . 3.3 t0 -76.24 68.74 2.69 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.267 -0.424 . . . . 11.11 110.703 -179.815 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 24.5 mtpp -50.17 -18.39 0.57 Allowed 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.194 -0.457 . . . . 14.57 110.968 -179.712 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -82.95 -15.4 51.44 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.879 0.371 . . . . 10.2 110.588 -179.935 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 60.4 42.04 98.77 Favored Glycine 0 CA--C 1.525 0.668 0 N-CA-C 110.977 -0.849 . . . . 6.24 110.977 -179.916 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 97' ' ' ASN . . . . . 0.549 ' CG ' ' CE2' ' A' ' 99' ' ' TYR . 0.2 OUTLIER -97.39 6.35 48.38 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.98 0.419 . . . . 7.56 110.374 179.847 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . 72.17 4.65 60.27 Favored Glycine 0 CA--C 1.524 0.646 0 N-CA-C 110.96 -0.856 . . . . 7.08 110.96 -179.976 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 99' ' ' TYR . . . . . 0.573 ' O ' ' OD2' ' A' ' 93' ' ' ASP . 11.8 p90 -154.46 150.23 27.62 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.851 0.357 . . . . 9.0 110.551 179.942 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 100' ' ' ILE . . . . . 0.548 ' N ' HD13 ' A' ' 100' ' ' ILE . 0.0 OUTLIER -119.66 128.36 75.89 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.199 -0.455 . . . . 9.29 110.561 -179.996 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 101' ' ' SER . . . . . 0.567 ' O ' ' N ' ' A' ' 104' ' ' GLU . 5.2 p -89.23 151.8 21.94 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.217 -0.447 . . . . 7.02 110.655 -179.976 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 102' ' ' ALA . . . . . 0.434 ' HB2' HD12 ' A' ' 125' ' ' ILE . . . -42.85 -19.4 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.112 -0.494 . . . . 6.41 110.597 -179.935 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 103' ' ' ALA . . . . . 0.513 ' N ' ' O ' ' A' ' 101' ' ' SER . . . -83.43 -31.83 26.41 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.263 -0.426 . . . . 5.01 110.608 -179.977 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 104' ' ' GLU . . . . . 0.567 ' N ' ' O ' ' A' ' 101' ' ' SER . 32.2 mt-10 -85.31 -54.35 4.65 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.193 -0.458 . . . . 6.84 110.632 -179.957 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 105' ' ' LEU . . . . . 0.407 ' HA ' HD12 ' A' ' 105' ' ' LEU . 44.7 tp -50.16 -51.09 46.49 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.204 -0.453 . . . . 4.99 110.646 -179.945 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 106' ' ' ARG . . . . . 0.572 ' HB2' HG11 ' A' ' 121' ' ' VAL . 63.5 ttt-85 -65.94 -42.45 90.0 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.269 -0.423 . . . . 15.24 110.65 -179.965 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 107' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -51.24 -42.99 61.39 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.18 -0.464 . . . . 15.69 110.626 179.977 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 108' ' ' VAL . . . . . . . . . . . . . 39.2 t -78.12 -58.31 4.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.232 -0.44 . . . . 12.28 110.638 -179.98 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 109' ' ' MET . . . . . . . . . . . . . 14.6 mtp -58.87 -15.06 10.8 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.202 -0.454 . . . . 9.53 110.658 -179.931 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 110' ' ' THR . . . . . 0.551 ' OG1' ' O ' ' A' ' 106' ' ' ARG . 12.8 m -80.43 -44.86 18.58 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.229 -0.441 . . . . 11.87 110.636 -179.912 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 111' ' ' ASN . . . . . . . . . . . . . 44.3 t30 -72.31 -9.81 58.97 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.237 -0.438 . . . . 21.65 110.576 -179.951 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -50.43 -21.73 1.59 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.191 -0.458 . . . . 19.55 110.507 -179.975 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . 115.4 -0.82 22.18 Favored Glycine 0 CA--C 1.524 0.651 0 N-CA-C 110.839 -0.904 . . . . 19.66 110.839 -179.826 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 20.8 tt0 -124.73 132.5 53.37 Favored 'General case' 0 C--N 1.33 -0.282 0 N-CA-C 110.216 -0.29 . . . . 25.55 110.216 179.609 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 49.3 mtpt -81.64 116.66 21.48 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.805 0.336 . . . . 23.26 110.615 -179.951 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 116' ' ' LEU . . . . . . . . . . . . . 2.5 mt -105.94 132.81 51.58 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.158 -0.474 . . . . 23.07 110.508 179.96 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 117' ' ' THR . . . . . 0.537 ' OG1' ' OE2' ' A' ' 120' ' ' GLU . 35.4 p -69.26 148.7 49.43 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.172 -0.467 . . . . 19.41 110.593 -179.941 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 118' ' ' ASP . . . . . . . . . . . . . 27.2 t70 -65.74 -52.39 51.54 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.217 -0.447 . . . . 18.08 110.494 -179.964 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 119' ' ' GLU . . . . . 0.45 ' O ' ' CB ' ' A' ' 123' ' ' GLU . 23.7 tt0 -44.88 -24.33 0.2 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.229 -0.441 . . . . 20.16 110.509 179.997 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 120' ' ' GLU . . . . . 0.537 ' OE2' ' OG1' ' A' ' 117' ' ' THR . 59.4 mt-10 -85.24 -50.41 7.39 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.168 -0.469 . . . . 14.19 110.539 179.91 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 121' ' ' VAL . . . . . 0.572 HG11 ' HB2' ' A' ' 106' ' ' ARG . 58.9 t -67.38 -60.83 2.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.227 -0.442 . . . . 14.97 110.569 179.978 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 122' ' ' ASP . . . . . 0.402 ' OD2' ' C ' ' A' ' 122' ' ' ASP . 49.2 t0 -49.7 -53.78 22.63 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.233 -0.439 . . . . 20.12 110.564 179.966 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 123' ' ' GLU . . . . . 0.663 ' O ' ' N ' ' A' ' 127' ' ' GLU . 24.6 tt0 -54.69 -52.58 61.96 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.209 -0.45 . . . . 15.72 110.595 179.989 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 124' ' ' MET . . . . . 0.557 ' O ' ' N ' ' A' ' 128' ' ' ALA . 11.4 tpt -46.26 -60.45 2.31 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.194 -0.457 . . . . 9.75 110.582 179.978 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 125' ' ' ILE . . . . . 0.434 HD12 ' HB2' ' A' ' 102' ' ' ALA . 92.7 mt -50.96 -53.14 15.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.206 -0.452 . . . . 11.99 110.546 -179.976 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 126' ' ' ARG . . . . . . . . . . . . . 2.9 tpt180 -71.13 -20.08 62.36 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.228 -0.442 . . . . 27.23 110.511 179.928 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 127' ' ' GLU . . . . . 0.663 ' N ' ' O ' ' A' ' 123' ' ' GLU . 1.6 tt0 -90.13 -21.89 22.02 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.127 -0.488 . . . . 15.5 110.515 -179.986 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 128' ' ' ALA . . . . . 0.557 ' N ' ' O ' ' A' ' 124' ' ' MET . . . -100.36 -34.5 9.95 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.148 -0.478 . . . . 10.5 110.512 179.871 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 129' ' ' ASP . . . . . 0.573 ' OD1' ' OE2' ' A' ' 140' ' ' GLU . 43.4 m-20 -60.79 98.94 0.08 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.155 -0.475 . . . . 10.86 110.646 -179.986 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 130' ' ' ILE . . . . . 0.543 HD13 ' OE1' ' A' ' 143' ' ' GLN . 1.4 mp -48.25 -26.35 1.29 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.351 0 CA-C-N 116.187 -0.46 . . . . 12.26 110.755 -179.684 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 131' ' ' ASP . . . . . 0.4 ' OD1' ' N ' ' A' ' 131' ' ' ASP . 2.5 p30 -104.21 -18.43 14.49 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.845 0.355 . . . . 7.79 110.559 179.915 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 132' ' ' GLY . . . . . 0.557 ' H ' ' HB3' ' A' ' 129' ' ' ASP . . . 64.11 67.49 2.03 Favored Glycine 0 CA--C 1.525 0.696 0 N-CA-C 110.926 -0.87 . . . . 3.93 110.926 179.991 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 133' ' ' ASP . . . . . . . . . . . . . 69.3 m-20 -100.94 3.16 41.44 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.731 0.3 . . . . 9.56 110.618 -179.924 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 134' ' ' GLY . . . . . . . . . . . . . . . 79.45 2.09 87.23 Favored Glycine 0 CA--C 1.525 0.659 0 N-CA-C 110.987 -0.845 . . . . 7.32 110.987 179.998 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 135' ' ' GLN . . . . . 0.572 ' O ' ' OD2' ' A' ' 129' ' ' ASP . 0.0 OUTLIER -149.22 167.31 26.36 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.777 0.323 . . . . 22.05 110.468 -179.99 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 136' ' ' VAL . . . . . . . . . . . . . 31.4 t -109.61 134.66 50.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.244 -0.434 . . . . 10.34 110.539 -179.983 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 137' ' ' ASN . . . . . 0.489 ' OD1' ' NE2' ' A' ' 135' ' ' GLN . 92.0 m-20 -109.91 159.49 17.2 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.195 -0.457 . . . . 12.02 110.361 179.63 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 138' ' ' TYR . . . . . . . . . . . . . 82.3 t80 -54.79 -36.43 64.91 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.418 -0.355 . . . . 8.75 110.472 179.953 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 139' ' ' GLU . . . . . . . . . . . . . 29.2 tt0 -61.07 -42.0 97.68 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.205 -0.452 . . . . 22.33 110.49 179.939 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 140' ' ' GLU . . . . . 0.573 ' OE2' ' OD1' ' A' ' 129' ' ' ASP . 83.6 mt-10 -64.52 -37.58 88.02 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.212 -0.449 . . . . 13.45 110.511 179.937 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 141' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -50.03 -38.05 35.91 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.141 -0.481 . . . . 8.25 110.424 -179.985 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 142' ' ' VAL . . . . . . . . . . . . . 84.0 t -77.74 -28.38 15.67 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.172 -0.467 . . . . 10.15 110.528 179.935 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 143' ' ' GLN . . . . . 0.551 ' O ' ' OG1' ' A' ' 146' ' ' THR . 33.2 mt-30 -63.75 -60.16 3.65 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.191 -0.459 . . . . 8.24 110.554 -179.986 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 144' ' ' MET . . . . . 0.511 ' SD ' ' O ' ' A' ' 144' ' ' MET . 0.0 OUTLIER -56.23 -24.73 44.18 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.261 -0.427 . . . . 6.68 110.542 179.94 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 145' ' ' MET . . . . . . . . . . . . . 12.2 ttt -71.45 -1.95 14.98 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.144 -0.48 . . . . 13.37 110.595 179.986 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 146' ' ' THR . . . . . 0.551 ' OG1' ' O ' ' A' ' 143' ' ' GLN . 70.2 p -111.36 -9.87 14.24 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.146 -0.479 . . . . 10.78 110.523 179.969 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 147' ' ' ALA . . . . . . . . . . . . . . . -67.42 113.25 5.14 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.21 -0.45 . . . . 18.52 110.598 -179.998 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 148' ' ' LYS . . . . . 0.442 ' HB2' ' NZ ' ' A' ' 148' ' ' LYS . 2.8 mtmp? . . . . . 0 C--O 1.22 -0.462 0 CA-C-O 118.037 -0.982 . . . . 23.42 110.539 -179.934 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 401' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 402' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 403' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 404' ' ' ' TB' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER . . . . . 0 C--O 1.231 0.099 0 CA-C-O 120.822 0.344 . . . . 23.46 110.601 . . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 4' ' ' LEU . . . . . 0.843 HD22 ' N ' ' A' ' 4' ' ' LEU . 1.3 mm? -91.64 128.54 37.52 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.194 -0.457 . . . . 14.38 110.565 -179.954 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 5' ' ' THR . . . . . 0.567 ' OG1' ' OE1' ' A' ' 8' ' ' GLN . 1.5 p -77.61 169.33 18.49 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.13 -0.486 . . . . 7.34 110.443 179.869 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 2.8 mt-10 -47.06 -47.31 22.7 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.307 -0.406 . . . . 7.12 110.562 -179.992 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 7' ' ' GLU . . . . . 0.619 ' N ' ' OE2' ' A' ' 7' ' ' GLU . 2.0 mp0 -57.19 -30.76 64.79 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.148 -0.478 . . . . 6.85 110.607 179.974 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 8' ' ' GLN . . . . . 0.634 ' N ' ' CD ' ' A' ' 8' ' ' GLN . 1.5 mp0 -90.75 -56.84 3.03 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.184 -0.462 . . . . 15.1 110.603 -179.982 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 9' ' ' ILE . . . . . 0.802 HD11 ' O ' ' A' ' 4' ' ' LEU . 31.1 mt -45.69 -31.12 1.06 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.236 -0.438 . . . . 4.72 110.527 179.951 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -76.09 -52.2 10.65 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.156 -0.474 . . . . 6.68 110.536 179.942 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 12.1 tt0 -43.87 -52.2 6.96 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.163 -0.471 . . . . 18.49 110.64 -179.917 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 12' ' ' PHE . . . . . 0.766 ' CD2' HD21 ' A' ' 69' ' ' LEU . 48.6 m-85 -60.33 -50.15 74.77 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.342 -0.39 . . . . 14.89 110.519 -179.921 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 39.8 mttt -46.89 -37.66 9.21 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.292 -0.413 . . . . 18.39 110.526 179.995 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 6.8 tp10 -51.18 -50.83 58.23 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.199 -0.455 . . . . 22.76 110.563 179.911 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -45.86 -58.21 3.71 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.223 -0.444 . . . . 5.67 110.602 179.917 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 16' ' ' PHE . . . . . 0.685 ' CE2' ' OD1' ' A' ' 20' ' ' ASP . 22.0 t80 -57.14 -19.99 23.43 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.149 -0.478 . . . . 13.28 110.492 179.918 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 4.8 p -85.41 -21.22 28.9 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.137 -0.483 . . . . 12.16 110.562 179.945 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 1.9 mm? -90.65 -34.27 15.5 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.163 -0.471 . . . . 17.89 110.585 179.955 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 19' ' ' PHE . . . . . 0.414 ' O ' ' N ' ' A' ' 21' ' ' LYS . 28.2 m-85 -87.4 -50.14 6.76 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.186 -0.461 . . . . 9.14 110.632 -179.912 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 20' ' ' ASP . . . . . 0.685 ' OD1' ' CE2' ' A' ' 16' ' ' PHE . 3.8 t70 -68.08 68.38 0.12 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.226 -0.443 . . . . 7.47 110.581 -179.949 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 21' ' ' LYS . . . . . 0.414 ' N ' ' O ' ' A' ' 19' ' ' PHE . 1.1 ptmm? -75.1 -19.59 59.87 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.182 -0.463 . . . . 27.75 110.665 -179.972 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 22' ' ' ASP . . . . . 0.424 ' OD1' ' OE1' ' A' ' 31' ' ' GLU . 34.2 m-20 -88.28 -15.16 36.53 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.222 -0.445 . . . . 14.13 110.613 -179.932 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 55.53 32.85 58.44 Favored Glycine 0 CA--C 1.525 0.689 0 N-CA-C 110.915 -0.874 . . . . 11.51 110.915 179.997 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 24' ' ' ASP . . . . . 0.456 ' OD2' ' N ' ' A' ' 25' ' ' GLY . 37.4 p30 -76.34 -27.16 56.37 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 120.771 0.32 . . . . 14.28 110.573 -179.961 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 25' ' ' GLY . . . . . 0.456 ' N ' ' OD2' ' A' ' 24' ' ' ASP . . . 105.1 -4.19 41.27 Favored Glycine 0 CA--C 1.524 0.629 0 N-CA-C 110.918 -0.873 . . . . 9.47 110.918 -179.957 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 26' ' ' THR . . . . . 0.408 ' O ' ' OD1' ' A' ' 24' ' ' ASP . 41.9 p -148.69 136.81 20.97 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.782 0.325 . . . . 16.41 110.595 179.969 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 27' ' ' ILE . . . . . 0.662 ' HB ' HD12 ' A' ' 63' ' ' ILE . 0.6 OUTLIER -97.7 125.74 50.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.212 -0.449 . . . . 8.03 110.515 179.98 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 7.3 p -103.08 172.74 6.64 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.254 -0.43 . . . . 7.8 110.578 -179.922 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 29' ' ' THR . . . . . 0.695 HG22 HD23 ' A' ' 48' ' ' LEU . 6.2 m -75.89 -28.94 58.29 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.168 -0.469 . . . . 10.04 110.55 -179.987 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 19.8 tttm -70.51 -29.79 66.39 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.176 -0.465 . . . . 16.38 110.628 -179.983 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 31' ' ' GLU . . . . . 0.424 ' OE1' ' OD1' ' A' ' 22' ' ' ASP . 75.0 mt-10 -85.38 -30.88 23.27 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.205 -0.452 . . . . 5.59 110.549 -179.972 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 32' ' ' LEU . . . . . 0.489 HD22 ' HA ' ' A' ' 32' ' ' LEU . 0.2 OUTLIER -64.43 -59.9 3.8 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.198 -0.455 . . . . 7.72 110.604 180.0 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -50.92 -50.55 37.88 Favored Glycine 0 CA--C 1.524 0.651 0 N-CA-C 110.91 -0.876 . . . . 6.93 110.91 179.995 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 99.0 m -44.07 -42.54 6.25 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.836 0.35 . . . . 9.63 110.556 -179.995 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 84.7 t -63.88 -44.71 98.14 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.151 -0.477 . . . . 7.07 110.542 179.972 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 36' ' ' MET . . . . . . . . . . . . . 5.2 mmt -66.09 -29.87 70.28 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.149 -0.478 . . . . 10.12 110.51 179.984 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 37' ' ' ARG . . . . . 0.437 HH11 ' HD2' ' A' ' 43' ' ' PRO . 14.6 tpp85 -63.2 -25.62 68.42 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.15 -0.477 . . . . 9.87 110.529 179.999 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 3.6 m -83.36 -19.16 36.61 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.179 -0.464 . . . . 8.15 110.504 179.948 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 21.1 mt -91.07 15.15 12.19 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.168 -0.469 . . . . 12.78 110.528 179.927 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 68.91 25.06 75.57 Favored Glycine 0 CA--C 1.525 0.665 0 N-CA-C 110.897 -0.881 . . . . 9.6 110.897 179.974 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 5.3 mm-40 -102.96 152.3 21.47 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.775 0.321 . . . . 20.35 110.581 -179.989 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 20.0 m120 -126.47 79.98 70.13 Favored Pre-proline 0 C--N 1.328 -0.336 0 CA-C-N 116.152 -0.476 . . . . 10.22 110.531 -179.997 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 43' ' ' PRO . . . . . 0.437 ' HD2' HH11 ' A' ' 37' ' ' ARG . 59.7 Cg_endo -77.93 141.45 19.0 Favored 'Trans proline' 0 C--N 1.306 -1.705 0 C-N-CA 122.715 2.277 . . . . 8.63 112.21 -179.944 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 44.3 p -96.78 151.1 19.97 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.176 -0.466 . . . . 4.83 110.59 179.997 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 45.9 tt0 -48.44 -43.33 34.31 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.206 -0.452 . . . . 16.78 110.576 179.968 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -68.27 -38.07 81.35 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.189 -0.46 . . . . 4.8 110.577 179.997 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 47' ' ' GLU . . . . . 0.53 ' C ' ' OE1' ' A' ' 47' ' ' GLU . 0.1 OUTLIER -70.69 -60.81 2.04 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.173 -0.467 . . . . 6.18 110.545 -179.982 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 48' ' ' LEU . . . . . 0.695 HD23 HG22 ' A' ' 29' ' ' THR . 14.9 tp -50.94 -20.71 1.42 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.221 -0.445 . . . . 6.65 110.601 -179.978 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 5.4 tp60 -68.33 -50.78 51.0 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.163 -0.471 . . . . 7.05 110.553 179.982 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 20.9 t0 -52.01 -31.66 30.6 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.192 -0.458 . . . . 6.72 110.571 179.967 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 51' ' ' MET . . . . . . . . . . . . . 6.1 tpt -72.31 -59.47 2.72 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.199 -0.455 . . . . 13.6 110.563 179.944 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 52' ' ' ILE . . . . . 0.614 ' O ' ' N ' ' A' ' 56' ' ' ASP . 4.7 mm -48.95 -44.33 15.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.185 -0.461 . . . . 8.71 110.552 179.995 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 6.9 m-20 -61.67 -44.3 97.21 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.245 -0.434 . . . . 9.04 110.529 179.968 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -51.2 -46.28 62.13 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.235 -0.439 . . . . 23.58 110.56 -179.931 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 55' ' ' VAL . . . . . 0.432 HG21 HD13 ' A' ' 63' ' ' ILE . 1.1 m -93.18 -21.77 5.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.225 -0.443 . . . . 7.6 110.565 179.999 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 56' ' ' ASP . . . . . 0.614 ' N ' ' O ' ' A' ' 52' ' ' ILE . 38.3 t0 -107.62 82.42 1.66 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.186 -0.461 . . . . 12.55 110.587 179.931 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -77.14 -24.87 51.57 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.179 -0.464 . . . . 15.13 110.594 -179.995 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 58' ' ' ASP . . . . . 0.54 ' OD2' ' OE1' ' A' ' 67' ' ' GLU . 0.8 OUTLIER -80.64 -11.01 59.7 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.219 -0.446 . . . . 14.32 110.609 179.988 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 44.09 20.17 0.16 Allowed Glycine 0 CA--C 1.525 0.661 0 N-CA-C 110.932 -0.867 . . . . 13.64 110.932 179.969 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 60' ' ' ASP . . . . . 0.463 ' OD2' ' N ' ' A' ' 60' ' ' ASP . 22.9 p-10 -61.3 -8.21 3.61 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.784 0.326 . . . . 13.27 110.581 179.983 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 99.71 -10.07 60.63 Favored Glycine 0 CA--C 1.524 0.629 0 N-CA-C 110.973 -0.851 . . . . 11.65 110.973 -179.988 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -127.95 169.39 14.04 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.772 0.32 . . . . 11.55 110.621 179.979 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 63' ' ' ILE . . . . . 0.662 HD12 ' HB ' ' A' ' 27' ' ' ILE . 74.6 mt -120.58 109.3 25.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.24 -0.436 . . . . 10.06 110.606 -179.97 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 64' ' ' ASP . . . . . 0.659 ' OD2' ' N ' ' A' ' 64' ' ' ASP . 0.0 OUTLIER -78.69 145.67 34.42 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.165 -0.471 . . . . 11.33 110.334 179.904 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 65' ' ' PHE . . . . . 0.625 ' N ' ' CD ' ' A' ' 66' ' ' PRO . 0.2 OUTLIER -64.77 -39.38 38.58 Favored Pre-proline 0 C--N 1.33 -0.248 0 CA-C-N 116.496 -0.32 . . . . 7.4 110.971 -179.668 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 66' ' ' PRO . . . . . 0.625 ' CD ' ' N ' ' A' ' 65' ' ' PHE . 51.3 Cg_exo -51.21 -44.58 42.02 Favored 'Trans proline' 0 C--N 1.309 -1.512 0 C-N-CA 122.276 1.984 . . . . 6.66 111.749 179.758 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 67' ' ' GLU . . . . . 0.553 ' OE2' ' OD2' ' A' ' 64' ' ' ASP . 6.0 mt-10 -81.37 -16.57 51.87 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.055 -0.521 . . . . 7.44 110.411 179.84 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 68' ' ' PHE . . . . . . . . . . . . . 20.9 t80 -71.11 -25.42 62.58 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.135 -0.484 . . . . 8.58 110.504 179.863 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 69' ' ' LEU . . . . . 0.766 HD21 ' CD2' ' A' ' 12' ' ' PHE . 0.5 OUTLIER -83.41 -40.49 19.29 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.141 -0.481 . . . . 9.43 110.488 179.708 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 70' ' ' THR . . . . . 0.436 ' CG2' ' N ' ' A' ' 71' ' ' MET . 0.7 OUTLIER -68.47 -37.05 79.8 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.241 -0.436 . . . . 7.53 110.539 -179.832 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 71' ' ' MET . . . . . 0.621 ' C ' ' SD ' ' A' ' 71' ' ' MET . 0.0 OUTLIER -60.94 -34.72 75.15 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.215 -0.448 . . . . 11.86 110.451 179.92 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 72' ' ' MET . . . . . 0.431 ' N ' ' HG3' ' A' ' 71' ' ' MET . 0.5 OUTLIER -81.83 -48.8 11.13 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.161 -0.472 . . . . 22.32 110.555 179.943 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -61.66 -55.84 26.16 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.194 -0.457 . . . . 9.15 110.52 -179.982 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 37.5 ttm180 -46.59 -40.68 13.27 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.258 -0.428 . . . . 13.8 110.565 -179.984 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 4.2 tppt? -51.2 -50.61 58.74 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.218 -0.446 . . . . 25.18 110.563 179.994 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 76' ' ' MET . . . . . . . . . . . . . 11.3 mtp -59.12 -27.56 65.72 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.174 -0.466 . . . . 34.79 110.618 -179.975 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 18.4 mmtp -94.32 39.95 1.09 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.172 -0.467 . . . . 37.65 110.615 -179.941 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 5.2 m-20 -157.41 174.98 14.59 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.184 -0.462 . . . . 42.58 110.542 -179.98 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 6.2 t -72.2 158.96 34.91 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.166 -0.47 . . . . 38.4 110.551 179.986 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 4.8 p-10 -130.56 157.46 42.64 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.236 -0.438 . . . . 37.51 110.578 -179.993 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -113.41 128.11 56.34 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.155 -0.475 . . . . 33.12 110.542 -179.972 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 16.4 pt-20 -55.69 -10.41 0.7 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.205 -0.452 . . . . 34.28 110.597 179.966 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 43.9 mm-40 -60.64 -60.42 3.83 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.197 -0.456 . . . . 30.91 110.615 179.976 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 84' ' ' GLU . . . . . 0.739 ' OE1' ' HB2' ' A' ' 88' ' ' ALA . 2.9 tm-20 -47.46 -57.45 5.33 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.202 -0.454 . . . . 22.86 110.578 -179.938 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 85' ' ' ILE . . . . . . . . . . . . . 3.7 mt -42.98 -26.46 0.19 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.232 -0.44 . . . . 19.17 110.554 -179.957 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 4.2 tpp180 -83.34 -52.07 6.87 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.241 -0.436 . . . . 26.85 110.551 179.963 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 87' ' ' GLU . . . . . 0.951 ' O ' HG23 ' A' ' 91' ' ' VAL . 1.4 tt0 -66.65 -48.18 70.22 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.181 -0.463 . . . . 16.48 110.546 179.97 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 88' ' ' ALA . . . . . 0.739 ' HB2' ' OE1' ' A' ' 84' ' ' GLU . . . -55.71 -46.18 77.74 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.156 -0.474 . . . . 9.91 110.528 -179.999 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 30.7 t80 -74.23 -51.95 13.85 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.154 -0.475 . . . . 8.53 110.563 179.975 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 71.2 ttt180 -58.35 -18.64 29.06 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.137 -0.483 . . . . 17.58 110.627 179.952 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 91' ' ' VAL . . . . . 0.951 HG23 ' O ' ' A' ' 87' ' ' GLU . 4.6 t -68.39 -32.36 55.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.189 -0.46 . . . . 7.82 110.652 -179.975 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 92' ' ' PHE . . . . . 0.682 ' CD1' HG11 ' A' ' 108' ' ' VAL . 40.0 m-85 -94.47 -21.7 18.73 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.278 -0.419 . . . . 9.11 110.692 -179.955 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 93' ' ' ASP . . . . . 0.574 ' OD1' ' OD1' ' A' ' 97' ' ' ASN . 3.0 t70 -99.12 68.57 1.68 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.292 -0.413 . . . . 11.11 110.668 -179.927 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -49.11 -18.56 0.33 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.121 -0.49 . . . . 14.57 110.928 -179.699 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . 22.0 m-20 -75.43 -12.38 60.23 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.812 0.339 . . . . 10.2 110.662 -179.85 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 60.05 9.67 11.87 Favored Glycine 0 CA--C 1.525 0.664 0 N-CA-C 111.041 -0.824 . . . . 6.24 111.041 179.95 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 97' ' ' ASN . . . . . 0.783 ' ND2' ' CE1' ' A' ' 99' ' ' TYR . 19.7 p30 -76.83 -26.86 54.81 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.847 0.355 . . . . 7.56 110.483 179.859 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 98' ' ' GLY . . . . . 0.482 ' N ' ' OD1' ' A' ' 97' ' ' ASN . . . 92.58 30.25 9.99 Favored Glycine 0 CA--C 1.525 0.686 0 N-CA-C 111.28 -0.728 . . . . 7.08 111.28 179.661 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 99' ' ' TYR . . . . . 0.783 ' CE1' ' ND2' ' A' ' 97' ' ' ASN . 0.6 OUTLIER -153.8 135.15 14.16 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.824 0.345 . . . . 9.0 110.69 179.803 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 0.8 OUTLIER -122.09 120.21 60.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.107 -0.497 . . . . 9.29 110.425 179.85 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 10.8 m -85.17 151.47 24.08 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.312 -0.403 . . . . 7.02 110.753 -179.808 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -42.91 -34.34 0.95 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.085 -0.507 . . . . 6.41 110.584 -179.978 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -62.89 -60.05 4.0 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.273 -0.421 . . . . 5.01 110.573 179.984 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 40.4 mt-10 -57.5 -45.79 84.5 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.187 -0.46 . . . . 6.84 110.561 179.969 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 105' ' ' LEU . . . . . 0.481 HD13 ' O ' ' A' ' 105' ' ' LEU . 0.2 OUTLIER -47.76 -51.22 23.1 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.173 -0.467 . . . . 4.99 110.548 179.976 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 106' ' ' ARG . . . . . 0.709 ' HG3' HG11 ' A' ' 121' ' ' VAL . 35.8 mtp85 -65.19 -23.85 67.21 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.217 -0.447 . . . . 15.24 110.554 179.971 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 107' ' ' HIS . . . . . . . . . . . . . 2.8 t60 -69.3 -38.82 78.46 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.185 -0.461 . . . . 15.69 110.495 -179.958 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 108' ' ' VAL . . . . . 0.682 HG11 ' CD1' ' A' ' 92' ' ' PHE . 4.0 t -79.22 -50.67 17.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.159 -0.473 . . . . 12.28 110.568 -179.988 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 109' ' ' MET . . . . . . . . . . . . . 41.5 mtt -64.73 -18.65 65.22 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.205 -0.452 . . . . 9.53 110.582 -179.931 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 110' ' ' THR . . . . . 0.542 ' OG1' ' O ' ' A' ' 106' ' ' ARG . 1.7 m -74.72 -46.07 39.95 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.294 -0.412 . . . . 11.87 110.612 -179.941 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 111' ' ' ASN . . . . . . . . . . . . . 6.8 t-20 -77.05 -9.81 58.96 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.237 -0.438 . . . . 21.65 110.524 179.977 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 112' ' ' LEU . . . . . 0.45 HD22 ' HA ' ' A' ' 112' ' ' LEU . 0.2 OUTLIER -56.83 -26.08 57.44 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.178 -0.464 . . . . 19.55 110.487 179.964 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . 115.4 -2.85 22.06 Favored Glycine 0 CA--C 1.525 0.713 0 N-CA-C 110.868 -0.893 . . . . 19.66 110.868 -179.857 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 24.2 mt-10 -124.13 124.69 43.05 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.746 0.307 . . . . 25.55 110.407 179.934 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -79.1 117.48 20.18 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.303 -0.408 . . . . 23.26 110.678 -179.993 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 116' ' ' LEU . . . . . . . . . . . . . 2.5 mt -111.32 134.9 52.57 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.165 -0.47 . . . . 23.07 110.517 179.973 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 117' ' ' THR . . . . . . . . . . . . . 3.0 m -69.35 156.05 39.43 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.186 -0.461 . . . . 19.41 110.568 -179.984 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 118' ' ' ASP . . . . . 0.464 ' OD2' ' N ' ' A' ' 118' ' ' ASP . 0.4 OUTLIER -67.27 -56.7 8.74 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.203 -0.453 . . . . 18.08 110.591 179.997 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 119' ' ' GLU . . . . . 0.478 ' O ' ' CG ' ' A' ' 123' ' ' GLU . 7.3 mt-10 -52.01 -20.32 2.35 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.162 -0.472 . . . . 20.16 110.531 179.971 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 120' ' ' GLU . . . . . . . . . . . . . 4.1 tm-20 -85.22 -39.12 18.14 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.198 -0.455 . . . . 14.19 110.566 -179.989 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 121' ' ' VAL . . . . . 0.709 HG11 ' HG3' ' A' ' 106' ' ' ARG . 44.5 t -81.82 -38.18 15.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.219 -0.446 . . . . 14.97 110.568 -179.958 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 122' ' ' ASP . . . . . . . . . . . . . 19.2 t70 -68.88 -55.73 10.15 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.175 -0.466 . . . . 20.12 110.602 179.965 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 123' ' ' GLU . . . . . 0.478 ' CG ' ' O ' ' A' ' 119' ' ' GLU . 15.1 mm-40 -55.69 -31.92 62.83 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.229 -0.441 . . . . 15.72 110.595 179.998 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 124' ' ' MET . . . . . . . . . . . . . 12.7 ttt -71.45 -62.04 1.55 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.204 -0.453 . . . . 9.75 110.58 179.95 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 125' ' ' ILE . . . . . 0.581 ' CG2' ' N ' ' A' ' 126' ' ' ARG . 9.0 tt -60.32 -44.99 97.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.229 -0.442 . . . . 11.99 110.561 -179.975 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 126' ' ' ARG . . . . . 0.581 ' N ' ' CG2' ' A' ' 125' ' ' ILE . 47.6 ttp180 -58.73 -19.43 40.14 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.197 -0.456 . . . . 27.23 110.574 179.977 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 127' ' ' GLU . . . . . . . . . . . . . 3.4 tp10 -75.81 -56.67 4.45 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.159 -0.473 . . . . 15.5 110.551 -179.942 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 128' ' ' ALA . . . . . . . . . . . . . . . -78.08 -0.71 29.13 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.22 -0.446 . . . . 10.5 110.584 -179.973 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 129' ' ' ASP . . . . . 0.56 ' OD1' ' N ' ' A' ' 132' ' ' GLY . 62.2 t0 -73.12 92.73 1.73 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.208 -0.451 . . . . 10.86 110.595 179.935 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 130' ' ' ILE . . . . . 0.443 ' H ' HG13 ' A' ' 130' ' ' ILE . 52.0 mt -49.69 -47.22 21.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.208 -0.451 . . . . 12.26 110.604 179.996 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 131' ' ' ASP . . . . . 0.643 ' N ' ' OD1' ' A' ' 131' ' ' ASP . 0.0 OUTLIER -77.86 -17.76 57.0 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.226 -0.443 . . . . 7.79 110.586 179.975 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 132' ' ' GLY . . . . . 0.56 ' N ' ' OD1' ' A' ' 129' ' ' ASP . . . 53.44 44.33 66.63 Favored Glycine 0 CA--C 1.525 0.665 0 N-CA-C 110.923 -0.871 . . . . 3.93 110.923 -179.998 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 133' ' ' ASP . . . . . 0.485 ' N ' ' OD2' ' A' ' 129' ' ' ASP . 9.2 m-20 -100.93 -2.06 32.89 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.794 0.331 . . . . 9.56 110.557 179.98 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 134' ' ' GLY . . . . . . . . . . . . . . . 98.19 5.87 57.01 Favored Glycine 0 CA--C 1.524 0.645 0 N-CA-C 110.978 -0.849 . . . . 7.32 110.978 -179.956 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 135' ' ' GLN . . . . . . . . . . . . . 3.7 pt20 -145.48 164.4 31.72 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.803 0.335 . . . . 22.05 110.565 179.981 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 136' ' ' VAL . . . . . 0.485 HG23 HG12 ' A' ' 125' ' ' ILE . 55.1 t -122.4 100.78 8.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.226 -0.443 . . . . 10.34 110.608 -179.993 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 137' ' ' ASN . . . . . . . . . . . . . 71.9 m-20 -68.7 159.9 31.3 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.186 -0.461 . . . . 12.02 110.485 -179.979 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 138' ' ' TYR . . . . . 0.568 ' CD2' ' C ' ' A' ' 138' ' ' TYR . 6.4 t80 -52.11 -39.87 60.45 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.172 -0.467 . . . . 8.75 110.583 179.999 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 139' ' ' GLU . . . . . . . . . . . . . 18.2 mm-40 -53.81 -43.91 69.74 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.192 -0.458 . . . . 22.33 110.542 179.953 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 140' ' ' GLU . . . . . . . . . . . . . 1.3 mt-10 -62.79 -33.55 75.43 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.222 -0.445 . . . . 13.45 110.483 179.965 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 141' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER -52.9 -42.52 65.41 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.139 -0.482 . . . . 8.25 110.498 179.976 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 142' ' ' VAL . . . . . . . . . . . . . 79.3 t -60.68 -35.36 63.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.174 -0.466 . . . . 10.15 110.522 -179.977 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 143' ' ' GLN . . . . . 0.416 ' HG2' HD11 ' A' ' 130' ' ' ILE . 8.0 tp-100 -52.23 -54.94 24.8 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.213 -0.449 . . . . 8.24 110.518 -179.976 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 144' ' ' MET . . . . . . . . . . . . . 0.3 OUTLIER -49.85 -34.7 20.75 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.242 -0.435 . . . . 6.68 110.502 -179.982 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 145' ' ' MET . . . . . . . . . . . . . 1.5 ttt -64.83 -13.69 56.76 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.196 -0.457 . . . . 13.37 110.527 -179.994 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 146' ' ' THR . . . . . 0.412 ' OG1' ' O ' ' A' ' 143' ' ' GLN . 39.3 p -113.14 -21.36 11.07 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.132 -0.486 . . . . 10.78 110.516 179.971 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 147' ' ' ALA . . . . . 0.414 ' O ' ' O ' ' A' ' 148' ' ' LYS . . . -64.52 104.74 0.83 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.163 -0.471 . . . . 18.52 110.631 179.987 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 148' ' ' LYS . . . . . 0.414 ' O ' ' O ' ' A' ' 147' ' ' ALA . 34.0 mttm . . . . . 0 C--O 1.219 -0.511 0 CA-C-O 117.98 -1.009 . . . . 23.42 110.547 -179.955 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 401' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 402' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 403' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 404' ' ' ' TB' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 21.0 mt-30 . . . . . 0 C--O 1.231 0.111 0 CA-C-O 120.795 0.331 . . . . 23.46 110.606 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -79.3 159.54 27.18 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.229 -0.441 . . . . 14.38 110.55 179.979 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 5' ' ' THR . . . . . 0.522 ' OG1' ' NE2' ' A' ' 8' ' ' GLN . 14.1 p -107.01 157.54 17.73 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.202 -0.454 . . . . 7.34 110.56 -179.994 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 30.0 mt-10 -49.97 -49.98 48.49 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.203 -0.453 . . . . 7.12 110.606 179.979 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 7' ' ' GLU . . . . . 0.534 ' C ' ' OE1' ' A' ' 8' ' ' GLN . 9.3 mm-40 -52.59 -28.9 23.05 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.173 -0.467 . . . . 6.85 110.586 179.946 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 8' ' ' GLN . . . . . 0.579 ' OE1' ' N ' ' A' ' 8' ' ' GLN . 0.9 OUTLIER -90.66 -52.82 4.69 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.192 -0.458 . . . . 15.1 110.598 179.977 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 71.0 mt -52.21 -30.17 13.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.185 -0.461 . . . . 4.72 110.56 -179.998 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -72.45 -56.02 6.08 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.189 -0.459 . . . . 6.68 110.541 179.982 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 21.4 mm-40 -43.92 -46.49 8.14 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.21 -0.45 . . . . 18.49 110.626 -179.891 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 12' ' ' PHE . . . . . 0.814 ' CD2' HD21 ' A' ' 69' ' ' LEU . 58.8 m-85 -62.35 -49.45 75.53 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.378 -0.374 . . . . 14.89 110.54 -179.991 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 30.6 mtpt -46.81 -38.62 10.47 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.229 -0.441 . . . . 18.39 110.47 179.957 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 13.2 tt0 -52.89 -39.5 62.75 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.149 -0.478 . . . . 22.76 110.488 179.934 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -57.77 -58.34 8.8 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.19 -0.459 . . . . 5.67 110.542 179.904 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 16' ' ' PHE . . . . . 0.446 ' CZ ' HD12 ' A' ' 27' ' ' ILE . 0.8 OUTLIER -55.22 -20.02 9.62 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.212 -0.449 . . . . 13.28 110.516 179.937 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 3.1 t -85.53 -21.14 28.74 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.098 -0.501 . . . . 12.16 110.45 179.869 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 2.0 mm? -90.65 -36.75 14.2 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.109 -0.496 . . . . 17.89 110.55 -179.993 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 19' ' ' PHE . . . . . 0.596 ' CE1' HG11 ' A' ' 35' ' ' VAL . 48.0 m-85 -83.83 -50.25 8.28 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.226 -0.443 . . . . 9.14 110.669 -179.939 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 23.3 t0 -68.23 68.04 0.12 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.273 -0.421 . . . . 7.47 110.582 -179.986 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 1.5 tptp -66.46 -19.61 65.84 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.156 -0.474 . . . . 27.75 110.657 -179.935 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 22' ' ' ASP . . . . . 0.568 ' OD1' ' OE1' ' A' ' 31' ' ' GLU . 6.6 m-20 -88.96 -15.24 34.73 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.302 -0.408 . . . . 14.13 110.61 -179.919 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 58.58 33.03 70.34 Favored Glycine 0 CA--C 1.525 0.693 0 N-CA-C 110.913 -0.875 . . . . 11.51 110.913 -179.995 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 22.9 p-10 -83.34 -30.16 27.7 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.808 0.337 . . . . 14.28 110.664 179.976 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 105.13 6.8 39.03 Favored Glycine 0 CA--C 1.525 0.691 0 N-CA-C 110.932 -0.867 . . . . 9.47 110.932 -179.996 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 1.8 p -148.68 136.85 21.0 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.797 0.332 . . . . 16.41 110.563 179.936 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 27' ' ' ILE . . . . . 0.451 ' H ' ' HB ' ' A' ' 63' ' ' ILE . 5.0 mt -109.91 130.21 63.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.218 -0.446 . . . . 8.03 110.516 179.984 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 12.6 p -109.4 175.3 5.5 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.13 -0.487 . . . . 7.8 110.576 -179.991 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -70.17 -19.92 63.17 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.221 -0.445 . . . . 10.04 110.611 -179.994 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 2.4 ttmm -76.12 -38.65 56.58 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.196 -0.456 . . . . 16.38 110.609 -179.973 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 31' ' ' GLU . . . . . 0.568 ' OE1' ' OD1' ' A' ' 22' ' ' ASP . 16.4 mt-10 -79.93 -31.62 40.08 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.238 -0.437 . . . . 5.59 110.479 -179.99 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 3.8 tp -64.31 -58.92 5.12 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.15 -0.477 . . . . 7.72 110.548 -179.968 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -44.08 -46.54 8.01 Favored Glycine 0 CA--C 1.524 0.612 0 N-CA-C 110.896 -0.882 . . . . 6.93 110.896 179.941 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 4.9 m -50.14 -40.7 47.11 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.801 0.334 . . . . 9.63 110.51 179.967 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 35' ' ' VAL . . . . . 0.596 HG11 ' CE1' ' A' ' 19' ' ' PHE . 94.7 t -60.36 -51.31 74.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.192 -0.458 . . . . 7.07 110.523 179.959 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 36' ' ' MET . . . . . . . . . . . . . 6.3 mmt -58.02 -26.09 61.99 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.204 -0.453 . . . . 10.12 110.494 179.985 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 8.2 mtt180 -69.5 -22.58 63.6 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.172 -0.467 . . . . 9.87 110.522 -179.99 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 1.1 t -79.98 -27.63 39.65 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.157 -0.474 . . . . 8.15 110.486 179.989 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 13.1 mt -92.54 15.09 14.97 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.184 -0.462 . . . . 12.78 110.56 179.978 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 62.09 26.23 67.25 Favored Glycine 0 CA--C 1.524 0.64 0 N-CA-C 110.929 -0.869 . . . . 9.6 110.929 -179.969 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 7.7 mt-30 -95.06 151.26 19.34 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.796 0.331 . . . . 20.35 110.631 179.981 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 10.4 m120 -134.56 80.0 52.14 Favored Pre-proline 0 C--N 1.328 -0.326 0 CA-C-N 116.173 -0.467 . . . . 10.22 110.529 179.988 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 60.3 Cg_endo -78.1 152.08 27.53 Favored 'Trans proline' 0 C--N 1.305 -1.713 0 C-N-CA 122.771 2.314 . . . . 8.63 112.24 -179.954 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -87.94 164.29 15.91 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.178 -0.465 . . . . 4.83 110.598 179.98 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 14.2 mt-10 -53.75 -51.58 62.91 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.229 -0.441 . . . . 16.78 110.598 179.945 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -52.66 -36.36 56.74 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.148 -0.478 . . . . 4.8 110.519 -179.989 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 2.5 tp10 -74.29 -56.02 5.36 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.233 -0.439 . . . . 6.18 110.522 -179.959 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 48' ' ' LEU . . . . . 0.504 ' HA ' HD23 ' A' ' 48' ' ' LEU . 19.9 mt -50.11 -37.22 33.07 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.17 -0.468 . . . . 6.65 110.553 -179.969 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 55.6 mt-30 -76.36 -50.79 13.31 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.214 -0.448 . . . . 7.05 110.519 -179.996 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 26.4 t0 -53.34 -29.63 35.11 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.227 -0.442 . . . . 6.72 110.538 179.97 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 51' ' ' MET . . . . . . . . . . . . . 7.2 mmt -73.33 -55.73 6.01 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.178 -0.464 . . . . 13.6 110.539 -179.995 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 52' ' ' ILE . . . . . 0.838 ' CD1' HD11 ' A' ' 63' ' ' ILE . 4.5 mm -49.63 -45.24 20.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.173 -0.467 . . . . 8.71 110.497 179.968 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 55.1 t-20 -50.61 -51.41 48.92 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.23 -0.441 . . . . 9.04 110.544 179.998 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 39.3 mt-10 -51.21 -30.11 16.17 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.176 -0.466 . . . . 23.58 110.587 179.998 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 55' ' ' VAL . . . . . 0.415 HG12 HG23 ' A' ' 63' ' ' ILE . 2.4 t -95.0 -26.64 4.32 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.179 -0.464 . . . . 7.6 110.557 -179.994 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 56' ' ' ASP . . . . . 0.597 ' OD1' ' N ' ' A' ' 59' ' ' GLY . 7.5 t0 -107.58 80.41 1.39 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.209 -0.45 . . . . 12.55 110.554 -179.995 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -69.26 -19.15 63.93 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.159 -0.473 . . . . 15.13 110.547 179.962 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -103.81 -4.66 23.3 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.228 -0.442 . . . . 14.32 110.582 -179.975 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 59' ' ' GLY . . . . . 0.597 ' N ' ' OD1' ' A' ' 56' ' ' ASP . . . 44.95 31.07 2.66 Favored Glycine 0 CA--C 1.524 0.63 0 N-CA-C 110.987 -0.845 . . . . 13.64 110.987 -179.98 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -59.26 -10.7 3.16 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.78 0.324 . . . . 13.27 110.562 -179.968 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 105.74 -10.07 44.84 Favored Glycine 0 CA--C 1.525 0.716 0 N-CA-C 110.889 -0.884 . . . . 11.65 110.889 179.952 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 62' ' ' THR . . . . . 0.52 ' O ' ' OD2' ' A' ' 56' ' ' ASP . 0.0 OUTLIER -136.19 173.79 11.32 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.824 0.345 . . . . 11.55 110.524 -179.993 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 63' ' ' ILE . . . . . 0.838 HD11 ' CD1' ' A' ' 52' ' ' ILE . 55.7 mt -111.53 113.81 45.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.202 -0.454 . . . . 10.06 110.684 -179.946 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 64' ' ' ASP . . . . . 0.675 ' OD1' ' N ' ' A' ' 64' ' ' ASP . 0.0 OUTLIER -78.7 145.7 34.38 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.188 -0.46 . . . . 11.33 110.358 179.881 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 65' ' ' PHE . . . . . 0.659 ' N ' ' CD ' ' A' ' 66' ' ' PRO . 0.3 OUTLIER -70.9 -36.87 5.56 Favored Pre-proline 0 C--N 1.331 -0.223 0 CA-C-N 116.472 -0.331 . . . . 7.4 111.078 -179.71 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 66' ' ' PRO . . . . . 0.659 ' CD ' ' N ' ' A' ' 65' ' ' PHE . 37.0 Cg_exo -53.56 -48.68 20.57 Favored 'Trans proline' 0 C--N 1.309 -1.533 0 C-N-CA 122.32 2.013 . . . . 6.66 111.818 179.83 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 67' ' ' GLU . . . . . 0.572 ' OE2' ' OD2' ' A' ' 64' ' ' ASP . 14.5 mt-10 -74.54 -32.31 62.42 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.155 -0.475 . . . . 7.44 110.332 179.819 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 68' ' ' PHE . . . . . . . . . . . . . 35.6 t80 -50.39 -27.96 7.27 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.149 -0.478 . . . . 8.58 110.497 179.912 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 69' ' ' LEU . . . . . 0.814 HD21 ' CD2' ' A' ' 12' ' ' PHE . 0.4 OUTLIER -83.47 -38.01 22.39 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.141 -0.481 . . . . 9.43 110.233 179.534 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 70' ' ' THR . . . . . 0.569 ' O ' ' CB ' ' A' ' 74' ' ' ARG . 0.3 OUTLIER -71.63 -35.91 70.58 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.024 -0.535 . . . . 7.53 110.472 179.999 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 71' ' ' MET . . . . . . . . . . . . . 8.4 tpt -55.98 -43.12 77.29 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.203 -0.453 . . . . 11.86 110.549 179.967 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 72' ' ' MET . . . . . 0.434 ' H ' ' HG2' ' A' ' 72' ' ' MET . 3.3 ptm -89.18 -38.85 13.97 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.19 -0.459 . . . . 22.32 110.571 179.979 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -69.52 -32.22 70.92 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.234 -0.439 . . . . 9.15 110.59 179.98 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 74' ' ' ARG . . . . . 0.569 ' CB ' ' O ' ' A' ' 70' ' ' THR . 64.6 ttt180 -75.09 -42.59 56.31 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.233 -0.44 . . . . 13.8 110.573 -179.939 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 75' ' ' LYS . . . . . 0.477 ' O ' ' OD1' ' A' ' 78' ' ' ASP . 2.3 tmtm? -50.75 -32.53 19.99 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.196 -0.456 . . . . 25.18 110.582 179.967 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 76' ' ' MET . . . . . . . . . . . . . 12.5 mtp -77.91 0.49 23.93 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.168 -0.469 . . . . 34.79 110.594 -179.987 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 7.0 mtpm? -113.51 32.85 5.51 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.183 -0.462 . . . . 37.65 110.556 179.998 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 78' ' ' ASP . . . . . 0.477 ' OD1' ' O ' ' A' ' 75' ' ' LYS . 25.3 p-10 -161.94 -175.53 4.71 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.215 -0.448 . . . . 42.58 110.549 179.985 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 12.6 t -77.45 156.75 30.89 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.201 -0.454 . . . . 38.4 110.527 179.992 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 6.8 p-10 -130.31 163.01 27.74 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.159 -0.473 . . . . 37.51 110.6 -179.99 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 72.5 p -117.12 134.81 54.31 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.219 -0.446 . . . . 33.12 110.551 179.994 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 17.6 mm-40 -57.33 -10.38 1.33 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.186 -0.461 . . . . 34.28 110.632 179.948 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -53.0 -60.43 3.29 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.166 -0.47 . . . . 30.91 110.575 179.993 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 5.6 tt0 -62.56 -55.6 25.73 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.184 -0.462 . . . . 22.86 110.572 179.981 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 85' ' ' ILE . . . . . 0.476 ' CD1' ' SD ' ' A' ' 145' ' ' MET . 16.3 mt -45.43 -27.76 0.62 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.206 -0.452 . . . . 19.17 110.578 179.996 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 46.6 mtt180 -83.39 -52.71 6.29 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.176 -0.466 . . . . 26.85 110.535 -179.953 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 87' ' ' GLU . . . . . 0.904 ' O ' HG23 ' A' ' 91' ' ' VAL . 0.6 OUTLIER -53.41 -40.51 65.18 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.224 -0.444 . . . . 16.48 110.547 -179.974 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -78.82 -42.88 26.57 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.24 -0.436 . . . . 9.91 110.602 -179.994 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 89' ' ' PHE . . . . . 0.45 ' CZ ' ' HB2' ' A' ' 138' ' ' TYR . 50.4 t80 -55.84 -36.16 67.2 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.16 -0.473 . . . . 8.53 110.604 -179.984 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 90' ' ' ARG . . . . . 0.404 ' C ' ' N ' ' A' ' 92' ' ' PHE . 19.3 mtp180 -81.26 -43.68 18.84 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.206 -0.452 . . . . 17.58 110.51 -179.991 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 91' ' ' VAL . . . . . 0.904 HG23 ' O ' ' A' ' 87' ' ' GLU . 44.4 t -50.08 -16.63 0.39 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.168 -0.469 . . . . 7.82 110.64 -179.891 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 92' ' ' PHE . . . . . 0.49 ' CE1' HG11 ' A' ' 108' ' ' VAL . 14.3 m-85 -94.31 -40.3 10.03 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.189 -0.459 . . . . 9.11 110.528 179.952 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 93' ' ' ASP . . . . . 0.668 ' OD1' ' ND2' ' A' ' 97' ' ' ASN . 2.0 t70 -98.98 71.37 1.86 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.162 -0.472 . . . . 11.11 110.583 -179.993 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 17.6 mtmm -47.93 -19.25 0.23 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.209 -0.45 . . . . 14.57 111.124 -179.629 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . 17.1 t0 -75.18 -12.0 60.2 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 120.842 0.353 . . . . 10.2 110.64 -179.765 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 60.3 9.7 12.98 Favored Glycine 0 CA--C 1.525 0.708 0 N-CA-C 111.009 -0.836 . . . . 6.24 111.009 -179.972 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 97' ' ' ASN . . . . . 0.819 ' ND2' ' H ' ' A' ' 99' ' ' TYR . 0.0 OUTLIER -78.02 -7.25 56.64 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.847 0.356 . . . . 7.56 110.371 179.815 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 98' ' ' GLY . . . . . 0.648 ' N ' HD22 ' A' ' 97' ' ' ASN . . . 73.55 30.16 62.61 Favored Glycine 0 CA--C 1.525 0.678 0 N-CA-C 111.072 -0.811 . . . . 7.08 111.072 179.886 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 99' ' ' TYR . . . . . 0.819 ' H ' ' ND2' ' A' ' 97' ' ' ASN . 82.2 m-85 -140.72 135.07 31.21 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.848 0.356 . . . . 9.0 110.689 179.946 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 8.5 mt -122.06 108.35 21.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.158 -0.473 . . . . 9.29 110.468 179.911 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 5.4 t -86.21 151.59 23.51 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.245 -0.434 . . . . 7.02 110.69 -179.887 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -46.16 -28.27 1.19 Allowed 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.017 -0.538 . . . . 6.41 110.628 -179.998 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -67.79 -39.14 84.08 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.198 -0.455 . . . . 5.01 110.605 179.974 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 2.8 mt-10 -75.32 -49.81 17.97 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.168 -0.469 . . . . 6.84 110.585 179.977 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 105' ' ' LEU . . . . . 0.624 HD13 ' O ' ' A' ' 105' ' ' LEU . 0.2 OUTLIER -47.73 -49.86 26.99 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.232 -0.44 . . . . 4.99 110.579 -179.982 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 106' ' ' ARG . . . . . 0.497 ' O ' ' N ' ' A' ' 110' ' ' THR . 5.3 tmm_? -66.49 -37.81 85.9 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.191 -0.458 . . . . 15.24 110.589 179.972 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 107' ' ' HIS . . . . . . . . . . . . . 10.5 t-160 -58.81 -54.6 45.31 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.165 -0.47 . . . . 15.69 110.518 -179.951 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 108' ' ' VAL . . . . . 0.49 HG11 ' CE1' ' A' ' 92' ' ' PHE . 24.3 t -61.53 -41.72 91.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.218 -0.446 . . . . 12.28 110.603 -179.979 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 109' ' ' MET . . . . . . . . . . . . . 4.9 mtt -76.47 -18.46 58.76 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.18 -0.464 . . . . 9.53 110.61 -179.99 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 110' ' ' THR . . . . . 0.497 ' N ' ' O ' ' A' ' 106' ' ' ARG . 13.7 m -70.2 -51.69 29.02 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.212 -0.449 . . . . 11.87 110.631 -179.984 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 111' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER -67.95 -18.76 64.85 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.233 -0.44 . . . . 21.65 110.621 -179.987 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 112' ' ' LEU . . . . . 0.415 ' HA ' HD13 ' A' ' 112' ' ' LEU . 0.1 OUTLIER -50.08 -31.38 13.08 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.116 -0.493 . . . . 19.55 110.483 -179.996 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . 115.09 4.34 20.82 Favored Glycine 0 CA--C 1.525 0.693 0 N-CA-C 110.901 -0.88 . . . . 19.66 110.901 -179.949 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -124.29 126.23 45.7 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.754 0.311 . . . . 25.55 110.445 179.925 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 23.6 mttt -87.25 111.95 21.53 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.31 -0.405 . . . . 23.26 110.556 -179.975 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 116' ' ' LEU . . . . . . . . . . . . . 4.8 mt -105.51 143.06 34.19 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.184 -0.462 . . . . 23.07 110.592 179.993 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 117' ' ' THR . . . . . 0.452 ' O ' HG23 ' A' ' 121' ' ' VAL . 0.8 OUTLIER -69.28 151.62 46.03 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.234 -0.439 . . . . 19.41 110.556 -179.97 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 118' ' ' ASP . . . . . . . . . . . . . 4.3 m-20 -74.11 -28.65 61.45 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.179 -0.464 . . . . 18.08 110.527 -179.989 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 119' ' ' GLU . . . . . . . . . . . . . 5.1 mt-10 -71.77 -28.32 63.55 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.213 -0.449 . . . . 20.16 110.531 -179.978 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 120' ' ' GLU . . . . . . . . . . . . . 7.7 tt0 -83.73 -32.72 25.34 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.227 -0.442 . . . . 14.19 110.577 179.983 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 121' ' ' VAL . . . . . 0.452 HG23 ' O ' ' A' ' 117' ' ' THR . 68.9 t -73.82 -49.93 32.03 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.139 -0.482 . . . . 14.97 110.568 -179.98 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 122' ' ' ASP . . . . . 0.632 ' OD2' ' N ' ' A' ' 123' ' ' GLU . 3.4 p-10 -67.34 -43.26 82.01 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.197 -0.456 . . . . 20.12 110.539 -179.982 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 123' ' ' GLU . . . . . 0.632 ' N ' ' OD2' ' A' ' 122' ' ' ASP . 3.9 tm-20 -46.68 -46.46 20.08 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.219 -0.446 . . . . 15.72 110.555 -179.993 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 124' ' ' MET . . . . . . . . . . . . . 2.1 tpt -72.87 -48.81 34.3 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.168 -0.469 . . . . 9.75 110.555 179.991 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 125' ' ' ILE . . . . . 0.516 ' O ' ' OD2' ' A' ' 129' ' ' ASP . 52.8 mt -62.37 -59.92 3.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.211 -0.449 . . . . 11.99 110.582 -179.996 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 126' ' ' ARG . . . . . 0.505 ' N ' ' O ' ' A' ' 122' ' ' ASP . 3.5 tpt180 -45.06 -31.95 1.54 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.195 -0.457 . . . . 27.23 110.588 179.973 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 127' ' ' GLU . . . . . . . . . . . . . 22.4 mt-10 -84.52 -53.3 5.51 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.167 -0.47 . . . . 15.5 110.586 179.966 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 128' ' ' ALA . . . . . . . . . . . . . . . -62.59 -8.42 6.42 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.223 -0.444 . . . . 10.5 110.52 -179.996 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 129' ' ' ASP . . . . . 0.573 ' OD1' ' O ' ' A' ' 135' ' ' GLN . 1.7 m-20 -91.03 93.89 9.38 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.2 -0.455 . . . . 10.86 110.594 179.999 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 130' ' ' ILE . . . . . . . . . . . . . 44.5 mt -48.94 -40.96 12.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.234 -0.439 . . . . 12.26 110.524 -179.935 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 131' ' ' ASP . . . . . . . . . . . . . 2.3 m-20 -87.4 -17.7 31.7 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.226 -0.443 . . . . 7.79 110.557 -179.988 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 132' ' ' GLY . . . . . . . . . . . . . . . 56.61 53.34 44.36 Favored Glycine 0 CA--C 1.525 0.671 0 N-CA-C 110.986 -0.846 . . . . 3.93 110.986 179.975 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 133' ' ' ASP . . . . . 0.532 ' OD1' ' N ' ' A' ' 133' ' ' ASP . 0.7 OUTLIER -100.91 2.87 41.28 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.802 0.334 . . . . 9.56 110.603 179.959 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 134' ' ' GLY . . . . . . . . . . . . . . . 88.29 7.67 72.6 Favored Glycine 0 CA--C 1.524 0.634 0 N-CA-C 110.915 -0.874 . . . . 7.32 110.915 -179.969 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 135' ' ' GLN . . . . . 0.573 ' O ' ' OD1' ' A' ' 129' ' ' ASP . 1.0 OUTLIER -145.72 164.43 31.83 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.801 0.334 . . . . 22.05 110.544 -179.965 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 136' ' ' VAL . . . . . . . . . . . . . 1.5 t -120.97 100.66 9.31 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.249 -0.432 . . . . 10.34 110.671 -179.998 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 137' ' ' ASN . . . . . . . . . . . . . 52.6 p-10 -68.96 165.42 20.11 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.131 -0.486 . . . . 12.02 110.631 -179.984 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 138' ' ' TYR . . . . . 0.45 ' HB2' ' CZ ' ' A' ' 89' ' ' PHE . 34.9 t80 -54.21 -34.42 60.57 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.218 -0.446 . . . . 8.75 110.571 179.974 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 139' ' ' GLU . . . . . . . . . . . . . 4.4 tt0 -61.77 -39.46 91.71 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.153 -0.476 . . . . 22.33 110.549 -179.968 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 140' ' ' GLU . . . . . 0.539 ' O ' ' CB ' ' A' ' 143' ' ' GLN . 6.4 mt-10 -65.15 -39.36 92.88 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.199 -0.455 . . . . 13.45 110.591 179.971 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 141' ' ' PHE . . . . . 0.413 ' C ' ' N ' ' A' ' 143' ' ' GLN . 1.4 m-85 -50.27 -60.28 3.13 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.182 -0.463 . . . . 8.25 110.489 179.973 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 142' ' ' VAL . . . . . . . . . . . . . 60.4 t -46.22 -21.64 0.29 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.199 -0.455 . . . . 10.15 110.497 179.932 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 143' ' ' GLN . . . . . 0.539 ' CB ' ' O ' ' A' ' 140' ' ' GLU . 6.6 tt0 -62.47 -57.16 12.22 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.149 -0.478 . . . . 8.24 110.529 179.91 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 144' ' ' MET . . . . . . . . . . . . . 17.4 ttm -52.32 -18.36 1.55 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.168 -0.469 . . . . 6.68 110.499 179.873 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 145' ' ' MET . . . . . 0.476 ' SD ' ' CD1' ' A' ' 85' ' ' ILE . 5.3 mtp -85.21 -15.3 44.06 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.155 -0.475 . . . . 13.37 110.637 179.999 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 146' ' ' THR . . . . . . . . . . . . . 1.1 t -113.39 -23.42 9.88 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.215 -0.448 . . . . 10.78 110.472 179.855 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 147' ' ' ALA . . . . . . . . . . . . . . . -75.31 136.98 40.85 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.054 -0.521 . . . . 18.52 110.564 -179.985 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 148' ' ' LYS . . . . . . . . . . . . . 8.3 tptm . . . . . 0 C--O 1.22 -0.468 0 CA-C-O 118.061 -0.971 . . . . 23.42 110.566 179.982 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 401' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 402' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 403' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 404' ' ' ' TB' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 1.3 tp-100 . . . . . 0 C--O 1.231 0.103 0 CA-C-O 120.79 0.329 . . . . 23.46 110.588 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 4' ' ' LEU . . . . . 0.608 ' O ' HD11 ' A' ' 9' ' ' ILE . 2.2 tp -82.74 126.97 32.98 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.174 -0.466 . . . . 14.38 110.535 -179.987 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 5' ' ' THR . . . . . 0.417 HG22 ' H ' ' A' ' 5' ' ' THR . 0.5 OUTLIER -67.56 148.92 50.8 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.154 -0.475 . . . . 7.34 110.591 179.978 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 6' ' ' GLU . . . . . 0.528 ' HA ' HD12 ' A' ' 9' ' ' ILE . 5.7 pt-20 -53.93 -41.74 68.03 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.205 -0.452 . . . . 7.12 110.556 -179.958 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 32.3 mt-10 -52.63 -37.69 58.92 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.233 -0.44 . . . . 6.85 110.596 179.966 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 22.7 mt-30 -80.46 -46.15 16.4 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.228 -0.442 . . . . 15.1 110.533 -179.986 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 9' ' ' ILE . . . . . 0.608 HD11 ' O ' ' A' ' 4' ' ' LEU . 28.2 mt -57.22 -24.21 20.57 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.198 -0.455 . . . . 4.72 110.55 -179.987 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -78.71 -59.26 2.85 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.233 -0.44 . . . . 6.68 110.63 179.99 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 53.1 mt-10 -48.21 -35.89 12.72 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.188 -0.46 . . . . 18.49 110.595 179.965 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 12' ' ' PHE . . . . . 0.615 ' CG ' HD21 ' A' ' 69' ' ' LEU . 4.9 m-85 -63.11 -45.57 91.38 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.191 -0.458 . . . . 14.89 110.61 179.966 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 28.7 mtpt -46.97 -32.94 4.23 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.183 -0.462 . . . . 18.39 110.522 179.999 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 23.1 mm-40 -63.75 -46.28 86.02 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.191 -0.459 . . . . 22.76 110.518 179.978 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 15' ' ' ALA . . . . . 0.579 ' O ' ' CB ' ' A' ' 18' ' ' LEU . . . -48.6 -57.31 6.41 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.209 -0.45 . . . . 5.67 110.512 -179.983 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 16' ' ' PHE . . . . . 0.475 ' CE1' ' HB2' ' A' ' 65' ' ' PHE . 0.2 OUTLIER -42.8 -60.12 1.7 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.191 -0.459 . . . . 13.28 110.451 179.999 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 70.2 p -45.29 -21.52 0.09 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.217 -0.447 . . . . 12.16 110.413 179.905 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 18' ' ' LEU . . . . . 0.579 ' CB ' ' O ' ' A' ' 15' ' ' ALA . 13.7 tp -67.34 -46.27 73.92 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.066 -0.515 . . . . 17.89 110.458 179.89 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 97.0 m-85 -90.05 -50.15 6.18 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.14 -0.482 . . . . 9.14 110.543 179.938 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 20' ' ' ASP . . . . . 0.558 ' OD2' ' OD1' ' A' ' 24' ' ' ASP . 12.5 t0 -71.88 68.54 0.66 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.209 -0.45 . . . . 7.47 110.512 -179.976 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 13.3 tttt -61.59 -19.71 62.51 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.195 -0.457 . . . . 27.75 110.681 -179.96 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 22' ' ' ASP . . . . . 0.528 ' OD2' ' N ' ' A' ' 22' ' ' ASP . 1.1 m-20 -87.44 -15.47 37.6 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.291 -0.413 . . . . 14.13 110.583 -179.909 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 60.35 32.74 78.11 Favored Glycine 0 CA--C 1.524 0.633 0 N-CA-C 110.917 -0.873 . . . . 11.51 110.917 -179.946 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 24' ' ' ASP . . . . . 0.558 ' OD1' ' OD2' ' A' ' 20' ' ' ASP . 9.2 p-10 -80.84 -27.49 36.47 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.791 0.329 . . . . 14.28 110.591 -179.978 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 105.16 5.79 40.14 Favored Glycine 0 CA--C 1.525 0.692 0 N-CA-C 110.889 -0.884 . . . . 9.47 110.889 -179.963 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 1.4 p -148.72 136.74 20.86 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 120.8 0.333 . . . . 16.41 110.576 -179.965 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 19.1 mt -111.8 138.64 39.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.206 -0.452 . . . . 8.03 110.606 179.999 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 33.1 p -111.25 174.89 5.65 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.172 -0.467 . . . . 7.8 110.521 -179.918 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 29' ' ' THR . . . . . 0.607 ' OG1' HD12 ' A' ' 52' ' ' ILE . 0.6 OUTLIER -73.97 -30.77 62.69 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.178 -0.464 . . . . 10.04 110.588 179.955 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 8.4 pttt -68.44 -33.15 73.69 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.194 -0.457 . . . . 16.38 110.56 179.985 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 21.9 mt-10 -85.29 -31.71 22.92 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.234 -0.439 . . . . 5.59 110.461 179.966 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 65.6 tp -72.08 -30.03 64.71 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.164 -0.471 . . . . 7.72 110.505 179.996 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 33' ' ' GLY . . . . . 0.732 ' CA ' HD21 ' A' ' 48' ' ' LEU . . . -66.81 -48.6 60.36 Favored Glycine 0 CA--C 1.525 0.67 0 N-CA-C 110.863 -0.895 . . . . 6.93 110.863 179.952 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 17.7 m -53.41 -33.09 52.53 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.811 0.338 . . . . 9.63 110.49 179.961 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 42.6 t -61.05 -52.33 62.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.204 -0.453 . . . . 7.07 110.542 179.969 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 36' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -62.08 -33.65 74.82 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.182 -0.463 . . . . 10.12 110.509 179.954 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 37' ' ' ARG . . . . . 0.469 ' HG2' HH21 ' A' ' 37' ' ' ARG . 30.7 ttp85 -59.35 -23.45 62.53 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.149 -0.478 . . . . 9.87 110.52 179.941 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 49.5 m -83.32 -21.24 33.24 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.214 -0.448 . . . . 8.15 110.472 179.931 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 39' ' ' LEU . . . . . 0.525 HD21 HD13 ' A' ' 112' ' ' LEU . 39.1 mt -91.76 15.15 13.44 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.18 -0.464 . . . . 12.78 110.504 179.947 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 67.97 26.52 73.94 Favored Glycine 0 CA--C 1.524 0.65 0 N-CA-C 110.937 -0.865 . . . . 9.6 110.937 179.994 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 84.7 mm-40 -104.28 150.21 24.64 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.811 0.339 . . . . 20.35 110.583 -179.995 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 9.4 t-20 -135.92 80.06 43.55 Favored Pre-proline 0 C--N 1.328 -0.332 0 CA-C-N 116.178 -0.465 . . . . 10.22 110.558 179.984 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 59.7 Cg_endo -77.88 154.85 30.23 Favored 'Trans proline' 0 C--N 1.306 -1.685 0 C-N-CA 122.791 2.328 . . . . 8.63 112.16 -179.85 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 3.9 p -85.27 157.7 20.51 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.15 -0.477 . . . . 4.83 110.545 -179.993 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 5.7 mt-10 -56.05 -22.62 28.48 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.238 -0.437 . . . . 16.78 110.576 179.94 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -83.59 -26.5 29.97 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.201 -0.454 . . . . 4.8 110.543 -179.972 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 39.1 tt0 -76.71 -60.84 2.18 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.242 -0.435 . . . . 6.18 110.528 -179.961 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 48' ' ' LEU . . . . . 0.732 HD21 ' CA ' ' A' ' 33' ' ' GLY . 3.3 tp -54.94 -54.96 35.95 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.227 -0.442 . . . . 6.65 110.579 179.969 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 49' ' ' GLN . . . . . 0.442 ' O ' HG22 ' A' ' 52' ' ' ILE . 17.0 tt0 -50.4 -51.98 41.46 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.168 -0.469 . . . . 7.05 110.472 179.964 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 4.4 t70 -69.27 -17.12 63.72 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.18 -0.464 . . . . 6.72 110.484 179.908 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 51' ' ' MET . . . . . . . . . . . . . 1.4 tpt -73.19 -44.59 59.56 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.118 -0.492 . . . . 13.6 110.508 179.996 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 52' ' ' ILE . . . . . 0.607 HD12 ' OG1' ' A' ' 29' ' ' THR . 6.5 tt -59.76 -31.92 48.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.196 -0.456 . . . . 8.71 110.521 179.989 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 8.8 m120 -67.94 -37.52 81.72 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.218 -0.446 . . . . 9.04 110.553 -179.981 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 65.3 mt-10 -51.2 -49.81 60.28 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.197 -0.456 . . . . 23.58 110.67 -179.854 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 55' ' ' VAL . . . . . 0.493 ' CG2' HD12 ' A' ' 63' ' ' ILE . 18.7 m -80.6 -28.29 11.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.228 -0.442 . . . . 7.6 110.584 -179.953 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 56' ' ' ASP . . . . . 0.576 ' OD2' ' OD2' ' A' ' 60' ' ' ASP . 46.3 t0 -92.33 98.48 11.52 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.199 -0.455 . . . . 12.55 110.575 -179.966 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -83.3 -18.05 40.37 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.223 -0.444 . . . . 15.13 110.527 -179.971 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 58' ' ' ASP . . . . . 0.444 ' N ' ' OD1' ' A' ' 58' ' ' ASP . 0.0 OUTLIER -87.83 -11.0 49.15 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.189 -0.46 . . . . 14.32 110.556 -179.99 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 59' ' ' GLY . . . . . 0.547 ' N ' ' OD1' ' A' ' 56' ' ' ASP . . . 47.26 42.9 18.36 Favored Glycine 0 CA--C 1.524 0.633 0 N-CA-C 110.961 -0.856 . . . . 13.64 110.961 -179.947 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 60' ' ' ASP . . . . . 0.576 ' OD2' ' OD2' ' A' ' 56' ' ' ASP . 3.1 p-10 -78.97 -19.79 50.78 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.827 0.346 . . . . 13.27 110.551 -179.946 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 105.69 1.18 39.94 Favored Glycine 0 CA--C 1.525 0.663 0 N-CA-C 110.962 -0.855 . . . . 11.65 110.962 -179.952 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -138.2 178.63 6.98 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.78 0.324 . . . . 11.55 110.555 179.991 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 63' ' ' ILE . . . . . 0.596 HD11 HG12 ' A' ' 52' ' ' ILE . 42.8 mm -118.23 104.91 16.87 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.249 -0.432 . . . . 10.06 110.658 -179.974 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 64' ' ' ASP . . . . . 0.521 ' OD1' ' OE1' ' A' ' 67' ' ' GLU . 0.0 OUTLIER -78.79 145.72 34.18 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.205 -0.452 . . . . 11.33 110.276 179.867 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 65' ' ' PHE . . . . . 0.671 ' N ' ' CD ' ' A' ' 66' ' ' PRO . 0.4 OUTLIER -70.87 -37.26 6.03 Favored Pre-proline 0 C--N 1.331 -0.222 0 CA-C-N 116.45 -0.341 . . . . 7.4 110.915 -179.666 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 66' ' ' PRO . . . . . 0.671 ' CD ' ' N ' ' A' ' 65' ' ' PHE . 33.0 Cg_exo -55.33 -54.86 3.68 Favored 'Trans proline' 0 C--N 1.309 -1.545 0 C-N-CA 122.387 2.058 . . . . 6.66 111.843 179.73 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 67' ' ' GLU . . . . . 0.521 ' OE1' ' OD1' ' A' ' 64' ' ' ASP . 13.5 pt-20 -70.48 -35.31 73.21 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.121 -0.491 . . . . 7.44 110.439 179.824 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 68' ' ' PHE . . . . . . . . . . . . . 54.0 t80 -46.69 -27.16 1.09 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.165 -0.47 . . . . 8.58 110.392 179.881 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 69' ' ' LEU . . . . . 0.615 HD21 ' CG ' ' A' ' 12' ' ' PHE . 0.6 OUTLIER -83.61 -36.47 23.86 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.131 -0.486 . . . . 9.43 110.149 179.456 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 70' ' ' THR . . . . . 0.485 ' OG1' ' O ' ' A' ' 67' ' ' GLU . 30.6 p -61.85 -51.4 68.37 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.038 -0.528 . . . . 7.53 110.503 179.962 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 71' ' ' MET . . . . . 0.523 ' C ' ' SD ' ' A' ' 71' ' ' MET . 2.0 tmt? -48.33 -45.77 35.69 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.154 -0.476 . . . . 11.86 110.472 179.954 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 72' ' ' MET . . . . . . . . . . . . . 43.1 mtp -73.53 -47.56 39.92 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.162 -0.472 . . . . 22.32 110.522 179.988 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -56.67 -48.93 76.54 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.174 -0.466 . . . . 9.15 110.523 -179.982 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 50.5 ttm-85 -45.32 -46.64 13.01 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.214 -0.448 . . . . 13.8 110.51 -179.943 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 5.7 tttp -48.6 -41.86 32.17 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.222 -0.444 . . . . 25.18 110.556 179.982 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 76' ' ' MET . . . . . . . . . . . . . 4.9 ttm -74.6 -23.15 58.68 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.194 -0.457 . . . . 34.79 110.599 179.958 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 9.8 tttp -105.49 17.18 24.31 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.208 -0.451 . . . . 37.65 110.566 179.986 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 78' ' ' ASP . . . . . 0.423 ' CG ' ' H ' ' A' ' 79' ' ' THR . 19.3 t0 -146.28 -160.51 1.16 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.228 -0.442 . . . . 42.58 110.537 -179.956 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 79' ' ' THR . . . . . 0.423 ' H ' ' CG ' ' A' ' 78' ' ' ASP . 0.0 OUTLIER -87.76 160.01 18.23 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.223 -0.444 . . . . 38.4 110.559 179.977 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -114.08 146.56 40.07 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.217 -0.447 . . . . 37.51 110.536 179.995 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 1.4 m -105.16 150.14 25.32 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.193 -0.458 . . . . 33.12 110.612 179.985 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 82' ' ' GLU . . . . . 0.588 ' O ' ' N ' ' A' ' 85' ' ' ILE . 2.4 mm-40 -84.97 -37.2 20.75 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.209 -0.45 . . . . 34.28 110.605 179.996 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 83' ' ' GLU . . . . . 0.494 ' OE2' ' C ' ' A' ' 83' ' ' GLU . 0.4 OUTLIER -43.09 -35.22 1.24 Allowed 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.235 -0.439 . . . . 30.91 110.582 179.978 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 84' ' ' GLU . . . . . 0.447 ' O ' ' HB3' ' A' ' 88' ' ' ALA . 2.2 pt-20 -82.4 -20.37 37.25 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.275 -0.421 . . . . 22.86 110.58 -179.961 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 85' ' ' ILE . . . . . 0.588 ' N ' ' O ' ' A' ' 82' ' ' GLU . 42.0 mt -79.21 -35.3 17.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.218 -0.446 . . . . 19.17 110.578 -179.966 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 86' ' ' ARG . . . . . 0.423 ' NE ' ' HA ' ' A' ' 83' ' ' GLU . 0.0 OUTLIER -76.72 -53.24 8.23 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.182 -0.463 . . . . 26.85 110.573 -179.982 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 87' ' ' GLU . . . . . 0.851 ' O ' HG23 ' A' ' 91' ' ' VAL . 3.4 mm-40 -60.37 -60.4 3.87 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.166 -0.47 . . . . 16.48 110.625 -179.973 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 88' ' ' ALA . . . . . 0.447 ' HB3' ' O ' ' A' ' 84' ' ' GLU . . . -50.21 -33.32 19.0 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.218 -0.447 . . . . 9.91 110.617 -179.99 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 89' ' ' PHE . . . . . 0.476 ' C ' ' CD2' ' A' ' 89' ' ' PHE . 16.8 t80 -79.12 -61.5 1.99 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.249 -0.432 . . . . 8.53 110.571 -179.9 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 2.0 ptm180 -63.55 -19.06 64.48 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.183 -0.462 . . . . 17.58 110.657 -179.908 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 91' ' ' VAL . . . . . 0.851 HG23 ' O ' ' A' ' 87' ' ' GLU . 4.6 t -62.15 -36.96 77.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.192 -0.458 . . . . 7.82 110.672 -179.931 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 92' ' ' PHE . . . . . 0.459 ' CE1' HG11 ' A' ' 108' ' ' VAL . 8.2 m-85 -92.01 -13.68 30.61 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.265 -0.425 . . . . 9.11 110.678 -179.911 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 93' ' ' ASP . . . . . 0.575 ' OD2' ' O ' ' A' ' 99' ' ' TYR . 13.3 t70 -94.02 68.74 3.81 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.334 -0.394 . . . . 11.11 110.644 -179.932 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 4.8 tttp -49.2 -25.47 2.26 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.184 -0.462 . . . . 14.57 110.984 -179.724 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 95' ' ' ASP . . . . . 0.506 ' OD1' ' N ' ' A' ' 95' ' ' ASP . 0.3 OUTLIER -75.34 -14.57 60.49 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.833 0.349 . . . . 10.2 110.665 -179.837 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 60.35 9.68 13.12 Favored Glycine 0 CA--C 1.525 0.694 0 N-CA-C 111.067 -0.813 . . . . 6.24 111.067 -179.987 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 97' ' ' ASN . . . . . 0.685 ' O ' ' CE1' ' A' ' 99' ' ' TYR . 32.7 p-10 -69.11 -2.33 9.95 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.921 0.391 . . . . 7.56 110.318 179.801 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 98' ' ' GLY . . . . . 0.476 ' C ' ' CD2' ' A' ' 99' ' ' TYR . . . 66.47 10.88 55.19 Favored Glycine 0 CA--C 1.524 0.644 0 N-CA-C 110.964 -0.855 . . . . 7.08 110.964 179.961 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 99' ' ' TYR . . . . . 0.685 ' CE1' ' O ' ' A' ' 97' ' ' ASN . 1.1 m-85 -128.55 136.0 50.15 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.779 0.323 . . . . 9.0 110.579 179.967 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 41.9 mt -121.3 113.14 38.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.259 -0.428 . . . . 9.29 110.494 179.911 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 101' ' ' SER . . . . . 0.527 ' OG ' ' CD ' ' A' ' 135' ' ' GLN . 16.1 m -89.19 151.72 22.01 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.188 -0.46 . . . . 7.02 110.675 -179.894 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -49.14 -19.41 0.44 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.072 -0.513 . . . . 6.41 110.541 -179.979 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -74.45 -51.97 13.37 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.267 -0.424 . . . . 5.01 110.622 179.959 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 54.0 mt-10 -65.38 -50.63 64.79 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.189 -0.46 . . . . 6.84 110.585 179.979 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 105' ' ' LEU . . . . . 0.636 HD23 HD11 ' A' ' 125' ' ' ILE . 28.9 tp -47.65 -49.39 27.54 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.265 -0.425 . . . . 4.99 110.507 -179.978 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 106' ' ' ARG . . . . . 0.566 ' O ' ' OG1' ' A' ' 110' ' ' THR . 4.9 ttp-105 -67.14 -25.21 66.07 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.216 -0.447 . . . . 15.24 110.524 -179.957 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 107' ' ' HIS . . . . . . . . . . . . . 1.3 t60 -62.45 -51.93 65.55 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.195 -0.457 . . . . 15.69 110.499 179.98 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 108' ' ' VAL . . . . . 0.493 ' O ' ' N ' ' A' ' 112' ' ' LEU . 26.7 t -62.99 -62.77 1.02 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.195 -0.457 . . . . 12.28 110.544 -179.993 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 109' ' ' MET . . . . . 0.572 ' O ' ' O ' ' A' ' 114' ' ' GLU . 22.2 mmt -48.24 -34.11 9.72 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.203 -0.453 . . . . 9.53 110.712 -179.966 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 110' ' ' THR . . . . . 0.566 ' OG1' ' O ' ' A' ' 106' ' ' ARG . 17.0 m -62.64 -54.49 38.69 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.279 -0.419 . . . . 11.87 110.661 -179.898 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 111' ' ' ASN . . . . . . . . . . . . . 6.1 m120 -83.49 -10.65 58.21 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.255 -0.43 . . . . 21.65 110.63 -179.961 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 112' ' ' LEU . . . . . 0.525 HD13 HD21 ' A' ' 39' ' ' LEU . 21.1 tp -65.86 -13.15 59.05 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.209 -0.45 . . . . 19.55 110.562 -179.98 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . 113.91 -5.82 23.95 Favored Glycine 0 CA--C 1.525 0.668 0 N-CA-C 110.989 -0.844 . . . . 19.66 110.989 179.92 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 114' ' ' GLU . . . . . 0.572 ' O ' ' O ' ' A' ' 109' ' ' MET . 5.3 mt-10 -124.33 115.62 21.29 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.789 0.328 . . . . 25.55 110.522 179.949 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 37.7 mttt -79.84 118.17 21.38 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.273 -0.421 . . . . 23.26 110.513 -179.987 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 116' ' ' LEU . . . . . 0.522 HD12 ' HB3' ' A' ' 109' ' ' MET . 1.0 OUTLIER -111.23 147.79 34.25 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.184 -0.462 . . . . 23.07 110.543 179.994 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 117' ' ' THR . . . . . . . . . . . . . 6.3 p -83.18 148.78 27.24 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.202 -0.454 . . . . 19.41 110.575 179.969 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 118' ' ' ASP . . . . . 0.518 ' O ' ' CG ' ' A' ' 122' ' ' ASP . 0.5 OUTLIER -69.61 -34.84 74.67 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.208 -0.451 . . . . 18.08 110.565 -179.991 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 119' ' ' GLU . . . . . . . . . . . . . 4.1 tm-20 -63.17 -50.82 68.85 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.218 -0.446 . . . . 20.16 110.576 179.982 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 120' ' ' GLU . . . . . . . . . . . . . 17.7 tt0 -61.98 -48.8 78.74 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.205 -0.452 . . . . 14.19 110.584 -179.963 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 121' ' ' VAL . . . . . 0.423 HG12 HD12 ' A' ' 125' ' ' ILE . 85.4 t -64.69 -38.11 81.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.18 -0.463 . . . . 14.97 110.561 179.952 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 122' ' ' ASP . . . . . 0.518 ' CG ' ' O ' ' A' ' 118' ' ' ASP . 57.7 m-20 -73.79 -40.59 63.31 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.185 -0.461 . . . . 20.12 110.585 -179.988 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 123' ' ' GLU . . . . . . . . . . . . . 20.2 tt0 -58.29 -51.96 67.57 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.243 -0.435 . . . . 15.72 110.539 179.976 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 124' ' ' MET . . . . . 0.528 ' SD ' ' O ' ' A' ' 124' ' ' MET . 0.0 OUTLIER -60.9 -52.92 62.98 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.229 -0.441 . . . . 9.75 110.6 179.971 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 125' ' ' ILE . . . . . 0.755 HG22 ' OD2' ' A' ' 129' ' ' ASP . 39.4 mt -61.66 -62.73 1.0 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.208 -0.451 . . . . 11.99 110.59 179.956 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 126' ' ' ARG . . . . . . . . . . . . . 28.3 ttp180 -44.6 -25.86 0.31 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.249 -0.432 . . . . 27.23 110.533 179.978 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 127' ' ' GLU . . . . . . . . . . . . . 74.8 tt0 -78.97 -47.29 16.59 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.217 -0.447 . . . . 15.5 110.5 -179.957 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 128' ' ' ALA . . . . . . . . . . . . . . . -75.14 -10.85 59.84 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.205 -0.452 . . . . 10.5 110.606 179.93 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 129' ' ' ASP . . . . . 0.755 ' OD2' HG22 ' A' ' 125' ' ' ILE . 70.3 m-20 -74.06 92.83 2.19 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.2 -0.455 . . . . 10.86 110.568 179.983 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 130' ' ' ILE . . . . . 0.434 HD12 ' OE2' ' A' ' 140' ' ' GLU . 39.8 mt -49.02 -42.11 14.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.179 -0.464 . . . . 12.26 110.582 -179.978 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 131' ' ' ASP . . . . . 0.573 ' OD1' ' OD1' ' A' ' 133' ' ' ASP . 3.7 p30 -86.07 -17.73 34.35 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.278 -0.419 . . . . 7.79 110.62 179.968 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 132' ' ' GLY . . . . . . . . . . . . . . . 58.81 56.32 25.97 Favored Glycine 0 CA--C 1.525 0.67 0 N-CA-C 110.928 -0.869 . . . . 3.93 110.928 -179.998 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 133' ' ' ASP . . . . . 0.573 ' OD1' ' OD1' ' A' ' 131' ' ' ASP . 1.2 p30 -101.01 -15.73 17.37 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.832 0.349 . . . . 9.56 110.611 -179.984 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 134' ' ' GLY . . . . . . . . . . . . . . . 104.92 12.19 28.4 Favored Glycine 0 CA--C 1.525 0.659 0 N-CA-C 110.937 -0.865 . . . . 7.32 110.937 -179.96 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 135' ' ' GLN . . . . . 0.563 ' O ' ' OD1' ' A' ' 129' ' ' ASP . 30.8 mt-30 -148.73 167.9 24.32 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.73 0.3 . . . . 22.05 110.442 -179.946 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 136' ' ' VAL . . . . . 0.515 HG13 ' HB3' ' A' ' 140' ' ' GLU . 35.3 t -121.63 100.3 8.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.301 -0.409 . . . . 10.34 110.599 179.962 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 137' ' ' ASN . . . . . 0.666 ' ND2' ' OE1' ' A' ' 140' ' ' GLU . 1.1 p-10 -71.23 162.49 29.34 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.158 -0.474 . . . . 12.02 110.657 -179.963 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 138' ' ' TYR . . . . . 0.47 ' CZ ' ' CD2' ' A' ' 89' ' ' PHE . 0.1 OUTLIER -51.39 -34.97 36.71 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.149 -0.478 . . . . 8.75 110.42 179.991 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 139' ' ' GLU . . . . . . . . . . . . . 1.4 tp10 -59.85 -43.28 94.72 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.172 -0.467 . . . . 22.33 110.581 179.978 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 140' ' ' GLU . . . . . 0.666 ' OE1' ' ND2' ' A' ' 137' ' ' ASN . 1.3 mp0 -64.51 -37.42 87.47 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.163 -0.471 . . . . 13.45 110.473 -179.984 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 141' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -56.99 -31.23 64.85 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.186 -0.461 . . . . 8.25 110.502 179.92 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 142' ' ' VAL . . . . . . . . . . . . . 47.6 t -68.5 -21.53 26.29 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.169 -0.469 . . . . 10.15 110.544 179.988 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 143' ' ' GLN . . . . . 0.44 ' O ' HG23 ' A' ' 146' ' ' THR . 19.7 mm100 -81.23 -31.34 33.9 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.214 -0.448 . . . . 8.24 110.519 -179.993 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 144' ' ' MET . . . . . 0.439 ' SD ' ' O ' ' A' ' 144' ' ' MET . 1.9 tmt? -79.88 -9.36 59.66 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.245 -0.434 . . . . 6.68 110.589 179.998 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 145' ' ' MET . . . . . 0.428 ' SD ' ' O ' ' A' ' 145' ' ' MET . 0.0 OUTLIER -84.64 -10.49 57.28 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.213 -0.449 . . . . 13.37 110.61 179.982 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 146' ' ' THR . . . . . 0.44 HG23 ' O ' ' A' ' 143' ' ' GLN . 0.0 OUTLIER -107.96 1.21 22.42 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.202 -0.454 . . . . 10.78 110.582 179.992 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 147' ' ' ALA . . . . . . . . . . . . . . . -64.2 104.8 0.79 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.158 -0.474 . . . . 18.52 110.56 -179.99 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 148' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER . . . . . 0 C--O 1.22 -0.481 0 CA-C-O 118.046 -0.978 . . . . 23.42 110.61 -179.988 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 401' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 402' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 403' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 404' ' ' ' TB' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 stop_ save_