data_2kj8_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 2kj8 _Structure_validation_residue.Date_analyzed 2016-10-07 loop_ _Residue_analysis_software.Software_ID _Residue_analysis_software.Software_label _Residue_analysis_software.Method_ID _Residue_analysis_software.Method_label _Residue_analysis_software.Entry_ID _Residue_analysis_software.Structure_validation_oneline_list_ID 1 MolProbity . . ? 1 2 CYRANGE . . ? 1 stop_ loop_ _Residue_analysis.ID _Residue_analysis.PDB_model_num _Residue_analysis.Hydrogen_positions _Residue_analysis.MolProbity_flips _Residue_analysis.Cyrange_core_flag _Residue_analysis.Two_letter_chain_ID _Residue_analysis.PDB_strand_ID _Residue_analysis.PDB_residue_no _Residue_analysis.PDB_ins_code _Residue_analysis.PDB_residue_name _Residue_analysis.Assembly_ID _Residue_analysis.Entity_assembly_ID _Residue_analysis.Entity_ID _Residue_analysis.Comp_ID _Residue_analysis.Comp_index_ID _Residue_analysis.Clash_value _Residue_analysis.Clash_source_PDB_atom_name _Residue_analysis.Clash_destination_PDB_atom_name _Residue_analysis.Clash_destination_PDB_strand_ID _Residue_analysis.Clash_destination_PDB_residue_no _Residue_analysis.Clash_destination_PDB_ins_code _Residue_analysis.Clash_destination_PDB_residue_name _Residue_analysis.Cbeta_deviation_value _Residue_analysis.Rotamer_score _Residue_analysis.Rotamer_name _Residue_analysis.Ramachandran_phi _Residue_analysis.Ramachandran_psi _Residue_analysis.Ramachandran_score _Residue_analysis.Ramachandran_evaluation _Residue_analysis.Ramachandran_type _Residue_analysis.Bond_outlier_count _Residue_analysis.Worst_bond _Residue_analysis.Worst_bond_value _Residue_analysis.Worst_bond_sigma _Residue_analysis.Angle_outlier_count _Residue_analysis.Worst_angle _Residue_analysis.Worst_angle_value _Residue_analysis.Worst_angle_sigma _Residue_analysis.RNA_phosphate_perpendicular_outlier _Residue_analysis.RNA_suitness_score _Residue_analysis.RNA_suite_conformer _Residue_analysis.RNA_suite_triage _Residue_analysis.Max_b_factor _Residue_analysis.Tau_angle _Residue_analysis.Omega_dihedral _Residue_analysis.Disulfide_chi1 _Residue_analysis.Disulfide_chi2 _Residue_analysis.Disulfide_chi3 _Residue_analysis.Disulfide_ss_angle _Residue_analysis.Disulfide_ss _Residue_analysis.Disulfide_ss_angle_prime _Residue_analysis.Disulfide_chi2prime _Residue_analysis.Disulfide_chi1prime _Residue_analysis.Outlier_count_separate_geometry _Residue_analysis.Outlier_count _Residue_analysis.Entry_ID _Residue_analysis.Structure_validation_residue_list_ID . 001 nuclear orig core ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 7.0 m-20 . . . . . 0 C--O 1.231 0.088 0 CA-C-O 120.546 0.212 . . . . 0.0 111.393 . . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' A' A ' 6' ' ' SER . . . . . 0.568 ' HA ' ' HA ' ' A' ' 46' ' ' GLU . 73.4 m -69.21 143.91 53.86 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 120.579 0.228 . . . . 0.0 110.49 177.732 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 7' ' ' PHE . . . . . . . . . . . . . 25.0 t80 -58.44 -48.3 81.17 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.014 -0.539 . . . . 0.0 111.453 -173.26 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 53.9 m -54.38 -40.59 68.32 Favored 'General case' 0 N--CA 1.465 0.275 0 N-CA-C 111.905 0.335 . . . . 0.0 111.905 179.887 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -62.53 -50.66 70.46 Favored 'General case' 0 C--O 1.236 0.346 0 CA-C-O 121.078 0.466 . . . . 0.0 110.784 -178.586 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 41.0 mt -68.49 -36.91 76.77 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.441 0 CA-C-N 115.752 -0.658 . . . . 0.0 110.286 -179.428 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 88.5 t80 -60.05 -42.29 94.14 Favored 'General case' 0 C--O 1.221 -0.429 0 CA-C-N 115.689 -0.687 . . . . 0.0 110.467 178.103 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 83.4 tttt -62.6 -43.65 98.27 Favored 'General case' 0 C--N 1.328 -0.327 0 C-N-CA 121.233 -0.187 . . . . 0.0 110.937 -179.826 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 95.7 mt-10 -60.29 -48.25 82.54 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-O 121.307 0.575 . . . . 0.0 110.42 178.419 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 14' ' ' TRP . . . . . 0.446 ' CH2' ' HH2' ' A' ' 22' ' ' TRP . 63.2 t90 -64.24 -42.51 96.49 Favored 'General case' 0 C--N 1.323 -0.571 0 CA-C-N 115.524 -0.762 . . . . 0.0 110.763 178.029 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 15' ' ' TYR . . . . . . . . . . . . . 16.9 t80 -60.02 -51.77 68.23 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 115.918 -0.583 . . . . 0.0 111.564 179.769 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 16' ' ' GLU . . . . . 0.413 ' HA ' ' HE2' ' A' ' 19' ' ' LYS . 28.6 mt-10 -68.23 -22.76 64.76 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-O 120.893 0.378 . . . . 0.0 111.181 -177.844 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 17' ' ' HIS . . . . . . . . . . . . . 30.3 t-80 -73.57 -48.38 33.32 Favored 'General case' 0 C--N 1.323 -0.544 0 N-CA-C 109.233 -0.655 . . . . 0.0 109.233 175.148 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 40.8 mmtm -70.85 -18.04 62.72 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 115.661 -0.7 . . . . 0.0 111.379 179.087 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 19' ' ' LYS . . . . . 0.413 ' HE2' ' HA ' ' A' ' 16' ' ' GLU . 36.4 ttpt -62.14 -21.68 65.24 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-O 121.184 0.516 . . . . 0.0 110.825 178.756 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 81.8 mt-30 -90.26 1.86 56.05 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.659 178.985 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 61.1 t -110.81 -49.49 6.5 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 CA-C-N 116.013 -0.54 . . . . 0.0 110.22 179.048 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 22' ' ' TRP . . . . . 0.446 ' HH2' ' CH2' ' A' ' 14' ' ' TRP . 14.4 m0 -81.27 171.5 14.75 Favored 'General case' 0 C--N 1.323 -0.551 0 CA-C-N 115.788 -0.642 . . . . 0.0 110.718 179.742 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 24.4 m -73.65 142.56 46.47 Favored 'General case' 0 C--N 1.322 -0.605 0 CA-C-N 115.872 -0.604 . . . . 0.0 109.611 172.873 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 13.9 p -55.18 -44.52 75.16 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.433 0 N-CA-C 111.901 0.334 . . . . 0.0 111.901 -175.924 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -65.75 -39.51 95.27 Favored Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.683 -0.77 . . . . 0.0 111.737 -179.532 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 26' ' ' TYR . . . . . . . . . . . . . 94.5 t80 -65.37 -47.28 76.95 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 115.505 -0.347 . . . . 0.0 110.344 177.422 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -59.96 -47.01 87.54 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.099 -0.501 . . . . 0.0 111.426 -178.175 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 49.3 m -56.74 -51.24 69.61 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 116.513 -0.312 . . . . 0.0 111.616 -179.972 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 37.7 mt-10 -78.05 -22.71 48.72 Favored 'General case' 0 C--N 1.327 -0.382 0 C-N-CA 120.848 -0.341 . . . . 0.0 111.58 -176.25 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 5.8 tt -62.79 -46.92 85.76 Favored 'General case' 0 C--N 1.331 -0.235 0 N-CA-C 109.52 -0.548 . . . . 0.0 109.52 172.214 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -65.93 -40.6 91.56 Favored 'General case' 0 N--CA 1.448 -0.543 0 CA-C-N 115.671 -0.695 . . . . 0.0 110.014 176.37 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 87.4 tttt -57.59 -46.36 84.12 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.173 -0.467 . . . . 0.0 112.123 -178.37 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 33' ' ' MET . . . . . . . . . . . . . 4.9 ppp? -72.64 -32.04 65.57 Favored 'General case' 0 N--CA 1.465 0.304 0 CA-C-O 120.811 0.339 . . . . 0.0 110.851 179.95 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 34' ' ' PHE . . . . . 0.702 ' HD2' HH21 ' A' ' 77' ' ' ARG . 36.5 t80 -66.75 -49.89 64.49 Favored 'General case' 0 C--N 1.328 -0.37 0 N-CA-C 109.175 -0.676 . . . . 0.0 109.175 175.605 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 35' ' ' ASP . . . . . 0.742 ' HA ' HD23 ' A' ' 39' ' ' LEU . 9.3 m-20 -58.79 -42.58 89.36 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.343 -0.389 . . . . 0.0 110.951 177.296 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 23.4 t70 -61.8 -40.92 96.92 Favored 'General case' 0 C--N 1.324 -0.521 0 N-CA-C 111.985 0.365 . . . . 0.0 111.985 -174.118 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 37' ' ' ASP . . . . . 0.504 ' HB3' ' HG2' ' A' ' 61' ' ' ARG . 41.5 m-20 -101.37 -39.91 7.35 Favored 'General case' 0 C--N 1.327 -0.402 0 N-CA-C 112.473 0.546 . . . . 0.0 112.473 -175.934 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 38' ' ' ILE . . . . . 0.543 ' HB ' ' O ' ' A' ' 34' ' ' PHE . 2.0 mp -74.48 -41.99 49.37 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.365 0 N-CA-C 111.861 0.319 . . . . 0.0 111.861 -175.88 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 39' ' ' LEU . . . . . 0.742 HD23 ' HA ' ' A' ' 35' ' ' ASP . 1.3 mm? -56.54 -49.08 95.63 Favored Pre-proline 0 N--CA 1.467 0.413 0 N-CA-C 112.771 0.656 . . . . 0.0 112.771 -175.02 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 48.2 Cg_exo -58.69 -19.0 43.69 Favored 'Trans proline' 0 C--N 1.353 0.792 0 C-N-CA 122.1 1.867 . . . . 0.0 112.825 176.261 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 41' ' ' ILE . . . . . 0.661 HG22 HG22 ' A' ' 42' ' ' ILE . 41.1 mm -98.75 -60.49 2.72 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 N-CA-C 111.672 0.249 . . . . 0.0 111.672 -176.61 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 42' ' ' ILE . . . . . 0.661 HG22 HG22 ' A' ' 41' ' ' ILE . 4.6 pt -135.58 7.49 1.0 Allowed 'Isoleucine or valine' 0 N--CA 1.467 0.385 0 N-CA-C 113.101 0.778 . . . . 0.0 113.101 -173.291 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 43' ' ' GLY . . . . . 0.567 ' HA3' ' HA ' ' A' ' 39' ' ' LEU . . . -57.86 -49.85 70.93 Favored Glycine 0 CA--C 1.516 0.141 0 C-N-CA 120.356 -0.926 . . . . 0.0 113.412 -172.299 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -85.48 5.97 81.66 Favored Glycine 0 N--CA 1.445 -0.707 0 C-N-CA 120.613 -0.803 . . . . 0.0 112.807 -175.9 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 86.9 mt -87.1 165.52 15.7 Favored 'General case' 0 N--CA 1.45 -0.443 0 CA-C-O 120.869 0.366 . . . . 0.0 110.267 179.804 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 46' ' ' GLU . . . . . 0.586 ' O ' HG13 ' A' ' 50' ' ' ILE . 44.7 mt-10 -83.34 137.6 33.89 Favored 'General case' 0 C--N 1.32 -0.677 0 N-CA-C 109.632 -0.507 . . . . 0.0 109.632 175.43 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 47' ' ' ILE . . . . . 0.434 HD13 ' HB1' ' A' ' 85' ' ' ALA . 15.1 tt -61.49 -23.49 30.82 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.534 0 CA-C-O 121.107 0.48 . . . . 0.0 111.302 -174.461 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 42.9 tt0 -91.45 -12.73 33.83 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.5 179.204 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 49' ' ' ASP . . . . . 0.409 ' HB2' ' HB2' ' A' ' 46' ' ' GLU . 0.5 OUTLIER -114.95 18.62 16.31 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 115.882 -0.599 . . . . 0.0 110.661 -170.735 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 50' ' ' ILE . . . . . 0.586 HG13 ' O ' ' A' ' 46' ' ' GLU . 85.0 mt -85.38 130.45 36.21 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 CA-C-N 115.946 -0.57 . . . . 0.0 110.703 179.874 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 40.4 mt-10 -74.52 142.75 78.16 Favored Pre-proline 0 C--N 1.325 -0.465 0 CA-C-N 115.967 -0.56 . . . . 0.0 110.574 -179.742 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 52' ' ' PRO . . . . . 0.66 ' HB3' ' HB3' ' A' ' 98' ' ' ASP . 9.3 Cg_endo -53.96 -41.86 71.58 Favored 'Trans proline' 0 C--N 1.345 0.356 0 C-N-CA 123.007 2.471 . . . . 0.0 112.471 179.164 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 53' ' ' MET . . . . . . . . . . . . . 64.0 mtt -72.47 -23.96 61.12 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.36 -0.382 . . . . 0.0 111.271 -178.354 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 59.9 mt-30 -74.25 -38.75 63.38 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 120.856 0.36 . . . . 0.0 110.832 178.875 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 55' ' ' LEU . . . . . 0.533 HD23 ' HB2' ' A' ' 99' ' ' LEU . 22.7 tp -65.89 -35.73 81.44 Favored 'General case' 0 C--N 1.322 -0.604 0 N-CA-C 109.096 -0.705 . . . . 0.0 109.096 175.6 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 2.6 tm? -70.06 -30.15 67.34 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 115.534 -0.757 . . . . 0.0 109.934 175.912 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 57' ' ' GLU . . . . . 0.404 ' HA ' ' HB2' ' A' ' 60' ' ' ARG . 34.9 tt0 -67.24 -31.45 71.82 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-O 120.793 0.33 . . . . 0.0 110.196 177.931 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 58' ' ' VAL . . . . . 0.451 ' O ' ' HB3' ' A' ' 61' ' ' ARG . 97.6 t -63.67 -49.72 81.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-O 121.409 0.623 . . . . 0.0 109.985 173.006 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 59' ' ' ILE . . . . . 0.504 HG21 ' HE1' ' A' ' 103' ' ' MET . 1.8 mp -61.22 -39.17 81.63 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.408 0 CA-C-N 115.648 -0.706 . . . . 0.0 110.015 176.112 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 60' ' ' ARG . . . . . 0.404 ' HB2' ' HA ' ' A' ' 57' ' ' GLU . 0.1 OUTLIER -56.82 -45.98 81.95 Favored 'General case' 0 C--O 1.231 0.129 0 CA-C-N 115.968 -0.56 . . . . 0.0 110.107 176.562 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 61' ' ' ARG . . . . . 0.504 ' HG2' ' HB3' ' A' ' 37' ' ' ASP . 10.3 tpt180 -51.55 -49.2 62.47 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 114.625 -1.171 . . . . 0.0 111.419 179.472 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 62' ' ' PHE . . . . . . . . . . . . . 87.7 m-85 -78.01 -43.66 28.83 Favored 'General case' 0 C--N 1.328 -0.367 0 N-CA-C 112.039 0.385 . . . . 0.0 112.039 -178.735 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 63' ' ' GLU . . . . . 0.728 ' HG3' ' HE3' ' A' ' 68' ' ' MET . 47.9 tt0 -62.19 -40.19 95.23 Favored 'General case' 0 N--CA 1.463 0.215 0 N-CA-C 111.692 0.256 . . . . 0.0 111.692 -174.816 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 35.5 t70 -65.05 -23.66 67.25 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.797 0.332 . . . . 0.0 111.165 -176.301 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 44.1 mtm-85 -84.96 -9.1 58.41 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.742 0.306 . . . . 0.0 110.525 177.589 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 99.33 -4.39 58.46 Favored Glycine 0 N--CA 1.448 -0.544 0 C-N-CA 120.651 -0.785 . . . . 0.0 111.882 179.429 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 67' ' ' ALA . . . . . 0.536 ' HB1' ' HB2' ' A' ' 70' ' ' ARG . . . -78.55 81.51 4.87 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-O 121.141 0.496 . . . . 0.0 110.406 -179.487 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 68' ' ' MET . . . . . 0.765 ' HE1' ' HA ' ' A' ' 68' ' ' MET . 0.1 OUTLIER -70.71 -46.18 63.56 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-N 115.857 -0.611 . . . . 0.0 110.593 -176.024 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 38.2 mt-10 -62.7 -41.23 99.02 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 115.836 -0.62 . . . . 0.0 110.215 179.537 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 70' ' ' ARG . . . . . 0.536 ' HB2' ' HB1' ' A' ' 67' ' ' ALA . 90.0 mtt180 -72.83 -33.47 66.19 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 115.867 -0.606 . . . . 0.0 111.17 -177.496 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -63.58 -45.75 89.01 Favored 'General case' 0 C--O 1.233 0.226 0 CA-C-O 121.17 0.51 . . . . 0.0 110.111 175.173 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 72' ' ' ASN . . . . . 0.436 ' O ' ' HG3' ' A' ' 76' ' ' ARG . 31.9 m-80 -68.22 -33.43 74.39 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 115.656 -0.702 . . . . 0.0 110.367 176.935 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 3.3 tppp? -68.75 -33.67 74.3 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.159 -0.473 . . . . 0.0 109.995 179.317 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -61.6 -54.54 41.63 Favored 'General case' 0 N--CA 1.452 -0.342 0 N-CA-C 109.537 -0.542 . . . . 0.0 109.537 174.296 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 40.3 ttt180 -53.41 -43.81 68.24 Favored 'General case' 0 CA--C 1.532 0.255 0 CA-C-N 116.055 -0.52 . . . . 0.0 110.8 176.214 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 76' ' ' ARG . . . . . 0.436 ' HG3' ' O ' ' A' ' 72' ' ' ASN . 89.8 mtt-85 -56.07 -57.87 10.32 Favored 'General case' 0 CA--C 1.521 -0.167 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.376 178.268 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 77' ' ' ARG . . . . . 0.702 HH21 ' HD2' ' A' ' 34' ' ' PHE . 20.9 mtm180 -70.48 -33.3 71.09 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 116.286 -0.415 . . . . 0.0 111.373 -173.527 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 78' ' ' CYS . . . . . . . . . . . . . 90.0 m -61.42 -50.15 74.0 Favored 'General case' 0 C--N 1.326 -0.449 0 N-CA-C 110.022 -0.362 . . . . 0.0 110.022 174.903 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . -61.71 -33.77 86.27 Favored Glycine 0 C--N 1.332 0.35 0 C-N-CA 121.015 -0.612 . . . . 0.0 111.853 176.606 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 40.0 tp10 -63.17 -41.54 99.25 Favored 'General case' 0 C--N 1.324 -0.512 0 C-N-CA 122.755 0.422 . . . . 0.0 110.768 175.647 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 81' ' ' VAL . . . . . 0.515 HG23 ' O ' ' A' ' 77' ' ' ARG . 93.4 t -70.67 -39.84 76.29 Favored 'Isoleucine or valine' 0 CA--C 1.53 0.202 0 CA-C-N 116.538 -0.301 . . . . 0.0 110.423 176.456 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 82' ' ' PHE . . . . . 0.403 ' O ' HG13 ' A' ' 86' ' ' ILE . 37.6 m-85 -56.23 -44.13 79.3 Favored 'General case' 0 N--CA 1.462 0.13 0 CA-C-O 120.973 0.416 . . . . 0.0 110.229 174.384 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 83' ' ' ARG . . . . . 0.462 ' O ' HG22 ' A' ' 87' ' ' VAL . 9.6 tpt180 -59.78 -44.24 93.99 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 115.839 -0.619 . . . . 0.0 110.394 177.299 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 84' ' ' TYR . . . . . . . . . . . . . 12.9 t80 -62.19 -38.33 88.71 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 115.675 -0.693 . . . . 0.0 110.368 -178.622 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 85' ' ' ALA . . . . . 0.467 ' HA ' HG22 ' A' ' 88' ' ' THR . . . -67.85 -32.52 73.11 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.016 -0.538 . . . . 0.0 111.478 179.476 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 86' ' ' ILE . . . . . 0.403 HG13 ' O ' ' A' ' 82' ' ' PHE . 76.2 mt -71.77 -35.38 55.02 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.411 0 CA-C-O 120.998 0.428 . . . . 0.0 110.367 177.575 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 87' ' ' VAL . . . . . 0.462 HG22 ' O ' ' A' ' 83' ' ' ARG . 93.0 t -70.78 -40.5 76.83 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.38 0 CA-C-N 115.963 -0.562 . . . . 0.0 111.15 179.683 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 88' ' ' THR . . . . . 0.467 HG22 ' HA ' ' A' ' 85' ' ' ALA . 12.8 t -79.14 -7.77 58.46 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-N 116.502 -0.317 . . . . 0.0 110.924 -179.45 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . 78.7 40.8 16.92 Favored Glycine 0 N--CA 1.452 -0.286 0 C-N-CA 120.829 -0.7 . . . . 0.0 113.091 177.3 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 90' ' ' ARG . . . . . 0.435 HH11 ' HD2' ' A' ' 90' ' ' ARG . 57.8 mtt180 -103.37 -38.1 7.35 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-O 121.136 0.493 . . . . 0.0 110.322 176.028 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . -125.83 136.91 53.63 Favored 'General case' 0 C--N 1.323 -0.578 0 CA-C-N 115.76 -0.655 . . . . 0.0 110.173 -179.981 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 57.6 tttm -94.92 -35.67 11.92 Favored 'General case' 0 C--N 1.323 -0.582 0 N-CA-C 109.212 -0.662 . . . . 0.0 109.212 177.075 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 93' ' ' TYR . . . . . . . . . . . . . 80.2 t80 -125.21 136.73 53.86 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 115.226 -0.897 . . . . 0.0 110.064 178.315 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 94' ' ' ASN . . . . . . . . . . . . . 26.6 p-10 -118.9 137.2 24.77 Favored Pre-proline 0 C--N 1.32 -0.674 0 CA-C-N 115.818 -0.628 . . . . 0.0 110.034 177.873 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 95' ' ' PRO . . . . . . . . . . . . . 60.3 Cg_endo -75.6 32.73 0.38 Allowed 'Trans proline' 0 CA--C 1.532 0.383 0 C-N-CA 122.867 2.378 . . . . 0.0 113.089 -178.468 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 96' ' ' ALA . . . . . 0.538 ' N ' ' HD2' ' A' ' 97' ' ' PRO . . . -65.4 -46.25 70.1 Favored Pre-proline 0 CA--C 1.539 0.549 0 CA-C-N 116.381 -0.372 . . . . 0.0 111.511 178.014 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 97' ' ' PRO . . . . . 0.538 ' HD2' ' N ' ' A' ' 96' ' ' ALA . 20.5 Cg_endo -62.35 -33.5 79.91 Favored 'Trans proline' 0 C--N 1.356 0.952 0 C-N-CA 121.941 1.761 . . . . 0.0 112.092 173.093 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 98' ' ' ASP . . . . . 0.66 ' HB3' ' HB3' ' A' ' 52' ' ' PRO . 44.3 m-20 -66.56 -33.2 75.14 Favored 'General case' 0 C--N 1.332 -0.182 0 CA-C-N 116.076 -0.511 . . . . 0.0 110.398 179.688 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 99' ' ' LEU . . . . . 0.533 ' HB2' HD23 ' A' ' 55' ' ' LEU . 3.2 tm? -56.07 -46.41 78.99 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 115.774 -0.648 . . . . 0.0 109.849 175.041 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 100' ' ' ALA . . . . . . . . . . . . . . . -65.17 -40.75 94.71 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 115.902 -0.59 . . . . 0.0 110.657 -179.652 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 23.6 t70 -66.72 -40.35 88.37 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 116.052 -0.522 . . . . 0.0 110.858 -179.712 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -67.08 -41.78 85.78 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.972 179.036 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 103' ' ' MET . . . . . 0.504 ' HE1' HG21 ' A' ' 59' ' ' ILE . 51.3 ttm -65.09 -37.22 86.81 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-O 121.104 0.478 . . . . 0.0 110.35 178.748 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 104' ' ' LYS . . . . . 0.481 ' HE2' ' HB3' ' A' ' 104' ' ' LYS . 25.7 ttpt . . . . . 0 C--N 1.324 -0.527 0 CA-C-N 115.543 -0.753 . . . . 0.0 111.2 177.783 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER . . . . . 0 N--CA 1.462 0.165 0 N-CA-C 109.533 -0.543 . . . . 0.0 109.533 . . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 6' ' ' SER . . . . . 0.53 ' HA ' ' HA ' ' A' ' 46' ' ' GLU . 5.7 m -75.64 143.41 42.26 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 115.641 -0.709 . . . . 0.0 110.427 -179.187 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 7' ' ' PHE . . . . . . . . . . . . . 42.6 t80 -63.43 -43.2 98.14 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.601 -0.272 . . . . 0.0 110.612 -177.041 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 9.7 p -53.53 -47.67 69.75 Favored 'General case' 0 C--O 1.237 0.426 0 CA-C-O 120.851 0.358 . . . . 0.0 111.527 178.145 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -63.95 -49.55 72.11 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 115.913 -0.585 . . . . 0.0 111.456 -178.186 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 10' ' ' ILE . . . . . 0.488 HG23 ' HB2' ' A' ' 85' ' ' ALA . 69.2 mt -66.07 -40.25 86.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.764 -178.2 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 9.5 t80 -58.74 -48.66 80.41 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.139 177.483 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 20.6 tptm -61.84 -39.26 91.19 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 120.628 0.251 . . . . 0.0 110.704 -178.003 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 13' ' ' GLU . . . . . 0.528 ' HG2' ' CD2' ' A' ' 17' ' ' HIS . 28.2 tt0 -67.91 -50.05 58.42 Favored 'General case' 0 C--N 1.326 -0.416 0 N-CA-C 109.997 -0.371 . . . . 0.0 109.997 178.689 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 14' ' ' TRP . . . . . . . . . . . . . 51.3 t90 -51.84 -47.61 64.3 Favored 'General case' 0 C--O 1.235 0.312 0 CA-C-N 115.811 -0.631 . . . . 0.0 110.816 178.085 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 15' ' ' TYR . . . . . 0.498 ' O ' ' HB2' ' A' ' 19' ' ' LYS . 25.9 t80 -57.82 -49.22 77.37 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 115.817 -0.629 . . . . 0.0 111.23 178.943 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 61.9 mm-40 -66.17 -26.67 67.52 Favored 'General case' 0 C--N 1.328 -0.369 0 N-CA-C 112.034 0.383 . . . . 0.0 112.034 -176.329 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 17' ' ' HIS . . . . . 0.528 ' CD2' ' HG2' ' A' ' 13' ' ' GLU . 73.6 m-70 -75.25 -54.13 7.62 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-O 120.999 0.428 . . . . 0.0 110.455 175.813 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 35.0 tptt -73.66 -9.51 58.74 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 121.197 0.522 . . . . 0.0 110.206 -176.88 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 19' ' ' LYS . . . . . 0.498 ' HB2' ' O ' ' A' ' 15' ' ' TYR . 55.8 tttt -57.55 -28.57 63.64 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 115.151 -0.932 . . . . 0.0 110.677 177.42 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 95.6 mt-30 -77.51 -17.91 57.53 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 115.786 -0.643 . . . . 0.0 111.056 -178.224 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 65.9 t -89.7 -47.99 14.65 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.776 -177.869 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 22' ' ' TRP . . . . . . . . . . . . . 19.7 m0 -81.86 154.26 25.95 Favored 'General case' 0 C--N 1.321 -0.656 0 CA-C-N 116.059 -0.519 . . . . 0.0 110.268 -178.224 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 23.0 p -65.31 138.25 58.06 Favored 'General case' 0 C--N 1.323 -0.58 0 N-CA-C 109.377 -0.601 . . . . 0.0 109.377 174.43 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 10.7 p -54.07 -38.08 36.9 Favored 'Isoleucine or valine' 0 CA--C 1.529 0.164 0 N-CA-C 111.712 0.264 . . . . 0.0 111.712 -173.88 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -60.88 -48.58 85.53 Favored Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.583 -0.817 . . . . 0.0 112.125 -179.995 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 26' ' ' TYR . . . . . . . . . . . . . 55.6 t80 -72.79 -36.48 67.6 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-O 120.539 0.209 . . . . 0.0 110.622 179.569 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -59.1 -47.11 86.47 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.392 -0.367 . . . . 0.0 110.726 179.038 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 25.6 m -59.61 -44.6 93.36 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-O 120.879 0.371 . . . . 0.0 110.68 177.136 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 35.1 tt0 -66.19 -47.69 73.11 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.408 -178.179 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 9.8 tt -58.56 -44.26 89.65 Favored 'General case' 0 C--O 1.235 0.305 0 N-CA-C 110.032 -0.359 . . . . 0.0 110.032 179.1 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 31' ' ' ALA . . . . . 0.416 ' HB2' ' CE1' ' A' ' 15' ' ' TYR . . . -66.16 -48.06 71.99 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 115.733 -0.667 . . . . 0.0 111.083 179.935 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 49.7 tttm -64.95 -36.8 85.55 Favored 'General case' 0 C--N 1.324 -0.529 0 C-N-CA 120.984 -0.286 . . . . 0.0 110.873 -177.26 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 33' ' ' MET . . . . . . . . . . . . . 58.6 ttp -63.59 -44.0 95.31 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 121.321 0.582 . . . . 0.0 109.825 175.828 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 34' ' ' PHE . . . . . 0.425 ' CD2' HD13 ' A' ' 38' ' ' ILE . 10.7 t80 -62.41 -49.61 74.82 Favored 'General case' 0 C--O 1.221 -0.442 0 CA-C-N 115.403 -0.817 . . . . 0.0 109.606 177.957 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 35' ' ' ASP . . . . . 0.527 ' HA ' ' HB2' ' A' ' 39' ' ' LEU . 13.4 t70 -66.38 -53.09 39.96 Favored 'General case' 0 C--N 1.32 -0.712 0 CA-C-N 116.244 -0.435 . . . . 0.0 111.697 -176.756 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -60.94 -31.23 70.77 Favored 'General case' 0 C--N 1.325 -0.47 0 N-CA-C 112.799 0.666 . . . . 0.0 112.799 -174.715 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 13.6 m-20 -102.7 -43.25 5.64 Favored 'General case' 0 C--N 1.33 -0.272 0 N-CA-C 112.687 0.625 . . . . 0.0 112.687 -178.69 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 38' ' ' ILE . . . . . 0.544 HG12 HG11 ' A' ' 58' ' ' VAL . 18.0 mt -90.38 -34.05 6.31 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.428 0 N-CA-C 112.296 0.48 . . . . 0.0 112.296 -170.086 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 39' ' ' LEU . . . . . 0.527 ' HB2' ' HA ' ' A' ' 35' ' ' ASP . 0.4 OUTLIER -61.15 -46.71 95.98 Favored Pre-proline 0 CA--C 1.542 0.644 0 N-CA-C 111.77 0.285 . . . . 0.0 111.77 -175.547 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 40' ' ' PRO . . . . . 0.491 ' HD3' ' O ' ' A' ' 35' ' ' ASP . 21.0 Cg_exo -67.57 -5.05 13.22 Favored 'Trans proline' 0 C--N 1.356 0.937 0 C-N-CA 121.916 1.744 . . . . 0.0 113.011 177.782 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 41' ' ' ILE . . . . . 0.482 HG22 HG21 ' A' ' 42' ' ' ILE . 30.2 mm -100.04 -58.49 3.84 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.409 0 CA-C-O 120.546 0.213 . . . . 0.0 111.051 179.965 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 42' ' ' ILE . . . . . 0.498 ' HA ' HD11 ' A' ' 45' ' ' LEU . 11.3 pt -125.82 8.23 4.1 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.249 0 N-CA-C 112.377 0.51 . . . . 0.0 112.377 -175.874 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -61.34 -41.78 99.61 Favored Glycine 0 N--CA 1.452 -0.272 0 C-N-CA 120.617 -0.801 . . . . 0.0 112.453 -176.17 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -81.7 2.05 84.18 Favored Glycine 0 N--CA 1.446 -0.64 0 C-N-CA 121.02 -0.609 . . . . 0.0 112.943 -179.413 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 45' ' ' LEU . . . . . 0.498 HD11 ' HA ' ' A' ' 42' ' ' ILE . 75.6 mt -89.62 151.55 21.84 Favored 'General case' 0 N--CA 1.45 -0.452 0 CA-C-N 117.047 0.423 . . . . 0.0 110.045 -179.917 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 46' ' ' GLU . . . . . 0.602 ' O ' HG13 ' A' ' 50' ' ' ILE . 41.8 mt-10 -83.5 144.89 29.24 Favored 'General case' 0 C--N 1.32 -0.681 0 N-CA-C 109.166 -0.679 . . . . 0.0 109.166 177.084 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 47' ' ' ILE . . . . . 0.506 HD12 ' HA ' ' A' ' 82' ' ' PHE . 13.8 tt -64.86 -17.96 22.68 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.661 0 CA-C-O 121.209 0.528 . . . . 0.0 111.355 -172.609 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 96.4 mt-30 -100.18 5.04 44.75 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-N 115.902 -0.59 . . . . 0.0 110.672 178.608 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 19.1 t70 -137.03 6.28 2.85 Favored 'General case' 0 CA--C 1.534 0.352 0 CA-C-O 120.933 0.397 . . . . 0.0 111.734 -170.214 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 50' ' ' ILE . . . . . 0.602 HG13 ' O ' ' A' ' 46' ' ' GLU . 83.3 mt -66.65 129.31 31.01 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.358 0 CA-C-O 121.209 0.528 . . . . 0.0 111.576 -177.021 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 51' ' ' GLU . . . . . 0.432 ' HB3' ' HB2' ' A' ' 54' ' ' GLN . 2.5 tm-20 -74.91 126.37 88.38 Favored Pre-proline 0 C--N 1.326 -0.448 0 CA-C-N 115.148 -0.933 . . . . 0.0 109.938 -178.63 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 52' ' ' PRO . . . . . . . . . . . . . 74.7 Cg_exo -48.89 -46.78 23.64 Favored 'Trans proline' 0 C--N 1.348 0.517 0 C-N-CA 123.7 2.933 . . . . 0.0 114.173 -177.62 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 53' ' ' MET . . . . . . . . . . . . . 65.3 mtm -75.76 -19.74 58.79 Favored 'General case' 0 C--N 1.328 -0.341 0 C-N-CA 121.091 -0.244 . . . . 0.0 111.157 -176.855 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 54' ' ' GLN . . . . . 0.432 ' HB2' ' HB3' ' A' ' 51' ' ' GLU . 40.7 mt-30 -76.69 -36.3 57.34 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-O 120.874 0.368 . . . . 0.0 110.275 172.767 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 30.8 tp -67.87 -33.79 75.42 Favored 'General case' 0 C--N 1.324 -0.518 0 N-CA-C 109.234 -0.654 . . . . 0.0 109.234 174.341 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 56' ' ' LEU . . . . . 0.455 HD11 ' O ' ' A' ' 56' ' ' LEU . 2.0 tm? -73.66 -29.52 62.37 Favored 'General case' 0 CA--C 1.531 0.229 0 CA-C-N 115.762 -0.654 . . . . 0.0 109.759 175.491 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 33.2 tt0 -64.69 -29.05 70.04 Favored 'General case' 0 C--N 1.329 -0.298 0 N-CA-C 109.862 -0.422 . . . . 0.0 109.862 176.407 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 58' ' ' VAL . . . . . 0.544 HG11 HG12 ' A' ' 38' ' ' ILE . 69.2 t -67.77 -48.65 74.97 Favored 'Isoleucine or valine' 0 C--O 1.236 0.39 0 CA-C-O 121.57 0.7 . . . . 0.0 110.092 172.105 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 59' ' ' ILE . . . . . . . . . . . . . 48.1 mm -54.69 -48.77 71.8 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.683 0 CA-C-N 115.262 -0.881 . . . . 0.0 110.116 176.615 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 60' ' ' ARG . . . . . 0.575 ' HA ' ' HB2' ' A' ' 63' ' ' GLU . 37.0 mtt180 -78.47 -7.3 57.29 Favored 'General case' 0 C--N 1.331 -0.196 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.92 179.883 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 61' ' ' ARG . . . . . 0.517 ' HB3' ' O ' ' A' ' 58' ' ' VAL . 8.8 tpt180 -68.17 -36.13 79.13 Favored 'General case' 0 C--N 1.323 -0.561 0 N-CA-C 108.247 -1.019 . . . . 0.0 108.247 170.962 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 62' ' ' PHE . . . . . . . . . . . . . 90.9 m-85 -84.23 -31.39 25.04 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 115.432 -0.803 . . . . 0.0 111.392 174.831 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 63' ' ' GLU . . . . . 0.575 ' HB2' ' HA ' ' A' ' 60' ' ' ARG . 35.2 mt-10 -65.32 -25.22 67.52 Favored 'General case' 0 N--CA 1.467 0.386 0 C-N-CA 120.837 -0.345 . . . . 0.0 110.484 175.259 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 20.4 t70 -52.85 -42.74 65.5 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 115.719 -0.673 . . . . 0.0 110.843 174.881 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 82.6 mtm-85 -96.22 4.79 52.14 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-N 116.156 -0.474 . . . . 0.0 111.111 -177.848 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 79.77 18.57 72.59 Favored Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 121.036 -0.602 . . . . 0.0 112.779 175.973 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -91.04 86.48 6.25 Favored 'General case' 0 C--N 1.322 -0.603 0 O-C-N 122.689 -0.3 . . . . 0.0 110.64 -178.802 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 68' ' ' MET . . . . . 0.848 ' HE1' ' HA ' ' A' ' 68' ' ' MET . 13.8 mmt -63.63 -40.01 95.81 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.077 -0.51 . . . . 0.0 110.615 -179.669 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 37.0 tt0 -68.32 -44.66 74.88 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 115.741 -0.663 . . . . 0.0 110.471 -179.194 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 59.2 mtt-85 -74.2 -22.35 59.42 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.465 -0.334 . . . . 0.0 110.833 -178.286 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -66.02 -48.71 70.24 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-O 121.142 0.496 . . . . 0.0 109.794 173.351 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 72' ' ' ASN . . . . . . . . . . . . . 42.8 m-80 -70.71 -26.45 63.41 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 116.022 -0.535 . . . . 0.0 110.287 176.15 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 46.2 tptt -62.65 -40.51 97.25 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 115.99 -0.55 . . . . 0.0 109.579 174.371 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -61.61 -47.6 84.69 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 116.267 -0.424 . . . . 0.0 109.987 173.73 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 59.6 ttt180 -56.19 -54.59 43.36 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 115.16 -0.927 . . . . 0.0 111.624 -178.806 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 99.5 mtt180 -66.99 -40.22 87.34 Favored 'General case' 0 C--N 1.327 -0.373 0 N-CA-C 112.0 0.37 . . . . 0.0 112.0 -176.182 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 77' ' ' ARG . . . . . 0.443 ' O ' HG23 ' A' ' 81' ' ' VAL . 80.4 mtm180 -66.37 -39.46 89.13 Favored 'General case' 0 C--N 1.329 -0.287 0 C-N-CA 120.959 -0.296 . . . . 0.0 111.027 -179.428 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 78' ' ' CYS . . . . . . . . . . . . . 71.3 m -63.57 -43.55 96.68 Favored 'General case' 0 C--N 1.329 -0.302 0 N-CA-C 109.815 -0.439 . . . . 0.0 109.815 175.441 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . -59.4 -35.27 84.46 Favored Glycine 0 C--N 1.333 0.378 0 C-N-CA 121.137 -0.554 . . . . 0.0 112.182 175.463 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 25.7 tp10 -67.73 -43.82 79.05 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-O 120.631 0.253 . . . . 0.0 110.544 177.803 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 81' ' ' VAL . . . . . 0.443 HG23 ' O ' ' A' ' 77' ' ' ARG . 94.4 t -61.02 -42.82 94.55 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.226 0 N-CA-C 109.826 -0.435 . . . . 0.0 109.826 174.958 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 82' ' ' PHE . . . . . 0.524 ' HB3' ' HB3' ' A' ' 94' ' ' ASN . 19.6 m-85 -57.23 -51.28 70.0 Favored 'General case' 0 C--N 1.332 -0.152 0 CA-C-N 115.821 -0.627 . . . . 0.0 110.247 175.568 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 83' ' ' ARG . . . . . 0.523 ' O ' HG22 ' A' ' 87' ' ' VAL . 65.2 ttp85 -56.54 -50.52 71.64 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 115.92 -0.582 . . . . 0.0 110.651 -179.886 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 84' ' ' TYR . . . . . . . . . . . . . 66.7 t80 -55.02 -44.7 74.86 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 115.862 -0.608 . . . . 0.0 110.874 -179.622 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 85' ' ' ALA . . . . . 0.488 ' HB2' HG23 ' A' ' 10' ' ' ILE . . . -69.46 -36.33 76.48 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.06 -0.518 . . . . 0.0 111.594 -179.647 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 86' ' ' ILE . . . . . 0.481 HG13 ' O ' ' A' ' 82' ' ' PHE . 72.8 mt -63.67 -42.85 97.43 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 CA-C-O 120.715 0.293 . . . . 0.0 110.529 177.414 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 87' ' ' VAL . . . . . 0.523 HG22 ' O ' ' A' ' 83' ' ' ARG . 59.1 t -63.41 -40.0 87.4 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-N 116.443 -0.344 . . . . 0.0 111.395 -179.319 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 88' ' ' THR . . . . . 0.458 HG21 ' HG3' ' A' ' 90' ' ' ARG . 9.6 t -82.1 -10.29 59.25 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-O 120.992 0.425 . . . . 0.0 110.939 179.317 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . 84.76 24.22 46.67 Favored Glycine 0 N--CA 1.452 -0.271 0 C-N-CA 120.796 -0.716 . . . . 0.0 113.222 176.831 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 90' ' ' ARG . . . . . 0.458 ' HG3' HG21 ' A' ' 88' ' ' THR . 99.0 mtt180 -98.59 -7.51 28.01 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-O 121.434 0.635 . . . . 0.0 109.96 177.041 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . -134.32 138.96 45.33 Favored 'General case' 0 C--N 1.323 -0.576 0 CA-C-N 115.158 -0.928 . . . . 0.0 108.766 173.887 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 78.7 tttt -93.27 -45.66 7.74 Favored 'General case' 0 C--N 1.323 -0.55 0 CA-C-O 121.231 0.539 . . . . 0.0 109.774 -176.182 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 93' ' ' TYR . . . . . . . . . . . . . 27.3 p90 -147.23 149.75 33.52 Favored 'General case' 0 C--N 1.324 -0.52 0 N-CA-C 108.744 -0.836 . . . . 0.0 108.744 174.41 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 94' ' ' ASN . . . . . 0.524 ' HB3' ' HB3' ' A' ' 82' ' ' PHE . 27.9 p-10 -106.72 136.78 19.37 Favored Pre-proline 0 C--N 1.321 -0.67 0 CA-C-O 121.026 0.441 . . . . 0.0 111.154 -176.91 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 95' ' ' PRO . . . . . 0.474 ' HD3' ' HA ' ' A' ' 94' ' ' ASN . 3.1 Cg_exo -76.52 34.09 0.43 Allowed 'Trans proline' 0 CA--C 1.531 0.369 0 C-N-CA 123.554 2.836 . . . . 0.0 112.789 -178.588 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 96' ' ' ALA . . . . . 0.562 ' N ' ' HD2' ' A' ' 97' ' ' PRO . . . -67.27 -45.3 49.9 Favored Pre-proline 0 C--N 1.327 -0.371 0 CA-C-N 116.388 -0.369 . . . . 0.0 111.47 178.763 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 97' ' ' PRO . . . . . 0.562 ' HD2' ' N ' ' A' ' 96' ' ' ALA . 14.8 Cg_endo -58.96 -40.99 66.24 Favored 'Trans proline' 0 C--N 1.356 0.943 0 C-N-CA 121.791 1.66 . . . . 0.0 111.596 173.245 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 3.5 m-20 -60.76 -41.04 94.67 Favored 'General case' 0 C--N 1.332 -0.186 0 CA-C-N 115.694 -0.684 . . . . 0.0 110.564 177.771 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 99' ' ' LEU . . . . . . . . . . . . . 3.3 tm? -54.5 -48.32 72.02 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.556 179.172 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 100' ' ' ALA . . . . . . . . . . . . . . . -67.66 -42.04 82.81 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 116.025 -0.534 . . . . 0.0 111.275 -177.787 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 6.1 t70 -70.12 -38.52 75.59 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-O 121.066 0.46 . . . . 0.0 110.424 -177.604 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -66.13 -35.6 80.91 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 115.921 -0.581 . . . . 0.0 110.745 177.574 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 103' ' ' MET . . . . . . . . . . . . . 53.3 ttm -58.05 -43.47 86.91 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-O 121.098 0.475 . . . . 0.0 110.353 175.569 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 104' ' ' LYS . . . . . . . . . . . . . 88.3 mttt . . . . . 0 C--N 1.327 -0.403 0 CA-C-N 115.853 -0.612 . . . . 0.0 110.413 177.693 . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 12.5 m120 . . . . . 0 N--CA 1.455 -0.216 0 CA-C-O 120.667 0.27 . . . . 0.0 110.502 . . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 6' ' ' SER . . . . . 0.525 ' HA ' ' HA ' ' A' ' 46' ' ' GLU . 19.9 m -62.36 139.34 58.54 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.482 176.489 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 7' ' ' PHE . . . . . . . . . . . . . 35.9 t80 -59.64 -45.96 90.44 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.242 -175.047 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 27.0 t -61.65 -36.46 80.86 Favored 'General case' 0 C--N 1.33 -0.243 0 N-CA-C 111.394 0.146 . . . . 0.0 111.394 -178.56 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -63.61 -49.2 74.25 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 121.035 0.445 . . . . 0.0 110.642 179.082 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 62.7 mt -67.8 -37.72 78.99 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.417 0 CA-C-N 115.946 -0.57 . . . . 0.0 110.311 179.322 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 3.0 t80 -56.32 -43.37 78.92 Favored 'General case' 0 C--N 1.333 -0.136 0 CA-C-N 116.037 -0.529 . . . . 0.0 110.953 175.047 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 50.7 tptt -59.98 -47.75 84.54 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.559 -0.291 . . . . 0.0 110.583 -179.422 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 33.7 tt0 -66.49 -45.56 79.22 Favored 'General case' 0 CA--C 1.532 0.277 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.479 179.238 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 14' ' ' TRP . . . . . . . . . . . . . 61.2 t90 -57.77 -54.41 47.2 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 115.874 -0.603 . . . . 0.0 110.942 178.99 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 15' ' ' TYR . . . . . 0.618 ' CE1' ' HB2' ' A' ' 31' ' ' ALA . 23.2 t80 -57.32 -53.33 59.34 Favored 'General case' 0 C--O 1.224 -0.263 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.57 -177.675 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 41.1 tt0 -60.38 -32.13 71.01 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-O 120.901 0.381 . . . . 0.0 111.057 -175.023 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 17' ' ' HIS . . . . . . . . . . . . . 49.2 t60 -78.41 -43.28 27.8 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-N 116.335 -0.393 . . . . 0.0 110.796 179.317 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 12.6 tptm -77.31 -16.05 59.13 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-O 121.275 0.56 . . . . 0.0 110.276 -177.282 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 58.5 tttm -66.54 -17.74 64.98 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 115.607 -0.724 . . . . 0.0 110.556 175.841 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 96.0 mt-30 -75.4 -10.79 59.76 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 116.051 -0.522 . . . . 0.0 110.352 177.259 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 58.7 t -99.85 -40.7 8.72 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-N 115.984 -0.553 . . . . 0.0 110.73 179.655 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 22' ' ' TRP . . . . . . . . . . . . . 10.9 m0 -91.33 162.97 14.38 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 116.102 -0.499 . . . . 0.0 111.019 -178.135 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 16.2 m -77.45 153.94 33.06 Favored 'General case' 0 C--N 1.323 -0.547 0 N-CA-C 109.664 -0.495 . . . . 0.0 109.664 175.01 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 14.0 p -55.19 -38.7 48.1 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.328 0 N-CA-C 112.083 0.401 . . . . 0.0 112.083 -175.165 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -61.78 -61.2 7.0 Favored Glycine 0 C--N 1.332 0.309 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.249 -179.784 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 26' ' ' TYR . . . . . . . . . . . . . 89.1 t80 -59.05 -38.98 80.63 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-O 120.646 0.26 . . . . 0.0 110.928 179.274 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -61.97 -42.89 99.64 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.397 -0.365 . . . . 0.0 110.958 -179.507 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 90.7 m -63.25 -46.69 85.7 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-O 120.721 0.296 . . . . 0.0 111.288 179.96 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 54.0 mt-10 -67.06 -39.12 86.83 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.395 -0.366 . . . . 0.0 111.187 -178.567 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 10.5 tt -67.1 -42.44 84.56 Favored 'General case' 0 C--N 1.328 -0.36 0 N-CA-C 109.874 -0.417 . . . . 0.0 109.874 177.119 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 31' ' ' ALA . . . . . 0.618 ' HB2' ' CE1' ' A' ' 15' ' ' TYR . . . -60.68 -48.31 82.36 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 115.992 -0.549 . . . . 0.0 110.943 178.939 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 32' ' ' LYS . . . . . 0.568 ' HA ' ' HB3' ' A' ' 35' ' ' ASP . 54.3 tttp -73.22 -18.27 61.26 Favored 'General case' 0 N--CA 1.446 -0.636 0 C-N-CA 119.907 -0.717 . . . . 0.0 110.789 -177.381 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 33' ' ' MET . . . . . . . . . . . . . 62.3 ttp -62.82 -43.4 98.89 Favored 'General case' 0 C--N 1.326 -0.437 0 N-CA-C 108.738 -0.838 . . . . 0.0 108.738 172.521 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 34' ' ' PHE . . . . . 0.564 ' O ' ' HB ' ' A' ' 38' ' ' ILE . 29.1 m-85 -69.35 -38.27 78.03 Favored 'General case' 0 C--O 1.222 -0.36 0 CA-C-N 115.697 -0.683 . . . . 0.0 110.751 174.126 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 35' ' ' ASP . . . . . 0.568 ' HB3' ' HA ' ' A' ' 32' ' ' LYS . 17.1 t70 -59.93 -66.56 0.5 Allowed 'General case' 0 C--N 1.32 -0.677 0 CA-C-N 116.381 -0.372 . . . . 0.0 111.255 178.078 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 20.9 t70 -71.87 -28.66 63.68 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 115.779 -0.646 . . . . 0.0 112.521 -168.12 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 47.5 m-20 -107.74 -43.63 4.43 Favored 'General case' 0 C--N 1.329 -0.296 0 N-CA-C 112.307 0.484 . . . . 0.0 112.307 -176.636 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 38' ' ' ILE . . . . . 0.564 ' HB ' ' O ' ' A' ' 34' ' ' PHE . 1.8 mp -79.75 -43.3 22.97 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.375 0 N-CA-C 111.918 0.34 . . . . 0.0 111.918 -175.885 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 39' ' ' LEU . . . . . 0.553 ' N ' ' HD2' ' A' ' 40' ' ' PRO . 37.4 mt -65.99 -42.74 54.03 Favored Pre-proline 0 CA--C 1.535 0.392 0 N-CA-C 113.462 0.912 . . . . 0.0 113.462 -171.328 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 40' ' ' PRO . . . . . 0.553 ' HD2' ' N ' ' A' ' 39' ' ' LEU . 32.6 Cg_endo -63.91 -13.0 34.67 Favored 'Trans proline' 0 C--N 1.352 0.723 0 C-N-CA 121.807 1.671 . . . . 0.0 112.438 177.826 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 41' ' ' ILE . . . . . 0.513 HG23 HG22 ' A' ' 42' ' ' ILE . 33.0 mm -98.99 -67.75 0.92 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.386 0 CA-C-N 116.521 -0.309 . . . . 0.0 110.471 179.679 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 42' ' ' ILE . . . . . 0.513 HG22 HG23 ' A' ' 41' ' ' ILE . 17.3 pt -120.97 10.71 6.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 N-CA-C 112.027 0.38 . . . . 0.0 112.027 -174.382 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 43' ' ' GLY . . . . . 0.443 ' HA3' ' HA ' ' A' ' 39' ' ' LEU . . . -60.62 -36.33 91.31 Favored Glycine 0 N--CA 1.452 -0.26 0 C-N-CA 120.623 -0.799 . . . . 0.0 112.626 -176.256 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -97.87 20.14 51.81 Favored Glycine 0 N--CA 1.445 -0.765 0 C-N-CA 120.802 -0.713 . . . . 0.0 112.618 -178.916 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 45' ' ' LEU . . . . . 0.442 HD11 HG23 ' A' ' 42' ' ' ILE . 84.3 mt -107.1 158.59 16.96 Favored 'General case' 0 N--CA 1.454 -0.274 0 N-CA-C 110.102 -0.333 . . . . 0.0 110.102 177.777 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 46' ' ' GLU . . . . . 0.525 ' HA ' ' HA ' ' A' ' 6' ' ' SER . 47.9 mt-10 -80.52 140.49 35.83 Favored 'General case' 0 C--N 1.323 -0.549 0 N-CA-C 109.904 -0.406 . . . . 0.0 109.904 177.301 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 15.0 tt -63.85 -20.92 27.56 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.633 0 CA-C-N 116.087 -0.506 . . . . 0.0 111.267 -175.614 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 98.1 mt-30 -89.16 -12.9 39.68 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.024 -0.534 . . . . 0.0 110.869 177.556 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 27.3 t70 -130.73 51.25 2.14 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-O 121.507 0.67 . . . . 0.0 111.045 -169.834 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 50' ' ' ILE . . . . . 0.505 HG13 ' O ' ' A' ' 46' ' ' GLU . 81.2 mt -108.7 129.18 63.66 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.701 0 CA-C-N 115.789 -0.641 . . . . 0.0 109.933 176.539 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 43.2 mt-10 -74.05 143.43 80.67 Favored Pre-proline 0 C--N 1.326 -0.456 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.058 179.663 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 52' ' ' PRO . . . . . . . . . . . . . 53.0 Cg_exo -55.68 -34.64 91.19 Favored 'Trans proline' 0 N--CA 1.462 -0.349 0 C-N-CA 122.53 2.153 . . . . 0.0 111.346 176.588 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 53' ' ' MET . . . . . . . . . . . . . 65.5 mtt -65.72 -33.04 74.95 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 115.819 -0.628 . . . . 0.0 111.08 179.231 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 82.6 mt-30 -79.74 -43.7 22.1 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.388 -0.369 . . . . 0.0 111.308 -177.493 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 55' ' ' LEU . . . . . 0.406 HD23 ' HB2' ' A' ' 99' ' ' LEU . 32.9 tp -64.06 -36.52 84.28 Favored 'General case' 0 C--N 1.323 -0.578 0 CA-C-O 121.532 0.682 . . . . 0.0 109.193 176.141 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 56' ' ' LEU . . . . . 0.715 HD12 ' HE ' ' A' ' 60' ' ' ARG . 2.3 tm? -71.77 -28.76 63.85 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-N 115.389 -0.823 . . . . 0.0 110.046 176.751 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 32.4 tt0 -70.52 -33.25 70.97 Favored 'General case' 0 C--O 1.222 -0.349 0 N-CA-C 109.892 -0.41 . . . . 0.0 109.892 177.481 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 58' ' ' VAL . . . . . 0.664 ' O ' ' HB3' ' A' ' 61' ' ' ARG . 53.1 t -58.9 -50.79 78.28 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 CA-C-O 121.561 0.696 . . . . 0.0 110.061 172.793 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 59' ' ' ILE . . . . . 0.541 HG21 ' HB1' ' A' ' 71' ' ' ALA . 1.6 mp -61.08 -40.68 86.53 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.693 0 CA-C-N 115.473 -0.785 . . . . 0.0 110.713 177.784 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 60' ' ' ARG . . . . . 0.715 ' HE ' HD12 ' A' ' 56' ' ' LEU . 0.0 OUTLIER -74.14 -17.71 60.89 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-O 120.813 0.339 . . . . 0.0 111.142 178.138 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 61' ' ' ARG . . . . . 0.664 ' HB3' ' O ' ' A' ' 58' ' ' VAL . 17.2 tpt180 -64.42 -41.0 96.84 Favored 'General case' 0 C--N 1.326 -0.455 0 N-CA-C 109.435 -0.58 . . . . 0.0 109.435 173.812 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 62' ' ' PHE . . . . . 0.416 ' HB3' ' HB2' ' A' ' 67' ' ' ALA . 97.0 m-85 -71.91 -31.45 66.39 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-N 115.686 -0.688 . . . . 0.0 110.489 173.562 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 63' ' ' GLU . . . . . 0.519 ' OE1' ' HD2' ' A' ' 60' ' ' ARG . 36.0 tt0 -65.19 -31.07 72.06 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 115.861 -0.609 . . . . 0.0 111.035 179.918 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 30.5 m-20 -55.96 -27.99 55.02 Favored 'General case' 0 N--CA 1.467 0.383 0 CA-C-N 116.572 -0.286 . . . . 0.0 111.157 176.328 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 66.3 mtm-85 -105.46 9.28 33.64 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-O 120.843 0.354 . . . . 0.0 110.815 -179.569 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 71.3 25.53 75.28 Favored Glycine 0 N--CA 1.45 -0.367 0 C-N-CA 121.15 -0.548 . . . . 0.0 112.753 179.276 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 67' ' ' ALA . . . . . 0.416 ' HB2' ' HB3' ' A' ' 62' ' ' PHE . . . -91.22 98.26 11.62 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-O 120.88 0.371 . . . . 0.0 110.999 -178.551 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 68' ' ' MET . . . . . 0.836 ' HE1' ' HA ' ' A' ' 68' ' ' MET . 11.2 mmt -80.04 -54.5 5.73 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 116.066 -0.515 . . . . 0.0 111.334 -176.412 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 69' ' ' GLU . . . . . 0.404 ' O ' ' HB2' ' A' ' 73' ' ' LYS . 1.7 mp0 -63.84 -35.95 82.32 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.563 -0.29 . . . . 0.0 110.508 179.507 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 3.9 ttt85 -70.0 -29.8 66.96 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 116.458 -0.337 . . . . 0.0 110.632 -178.828 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 71' ' ' ALA . . . . . 0.541 ' HB1' HG21 ' A' ' 59' ' ' ILE . . . -66.99 -46.12 75.53 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-O 121.187 0.518 . . . . 0.0 110.004 176.488 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 72' ' ' ASN . . . . . . . . . . . . . 49.1 m-80 -75.64 -19.93 58.85 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 115.891 -0.595 . . . . 0.0 110.378 178.067 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 73' ' ' LYS . . . . . 0.404 ' HB2' ' O ' ' A' ' 69' ' ' GLU . 24.1 tttp -66.01 -52.85 45.57 Favored 'General case' 0 C--N 1.326 -0.415 0 N-CA-C 108.932 -0.766 . . . . 0.0 108.932 173.967 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -58.39 -48.34 80.96 Favored 'General case' 0 C--O 1.223 -0.308 0 CA-C-N 115.616 -0.72 . . . . 0.0 109.798 174.959 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 75' ' ' ARG . . . . . 0.521 ' HD2' ' HE2' ' A' ' 103' ' ' MET . 76.4 ttt180 -47.95 -49.77 29.28 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-N 115.304 -0.862 . . . . 0.0 111.893 178.112 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 38.4 ttp180 -81.69 -30.49 32.59 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-N 116.501 -0.318 . . . . 0.0 111.408 -174.14 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 77' ' ' ARG . . . . . 0.403 ' O ' HG23 ' A' ' 81' ' ' VAL . 35.7 mmt180 -76.25 -38.14 56.69 Favored 'General case' 0 C--N 1.327 -0.379 0 C-N-CA 121.072 -0.251 . . . . 0.0 110.984 178.84 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 78' ' ' CYS . . . . . . . . . . . . . 98.4 m -64.05 -42.88 96.88 Favored 'General case' 0 C--N 1.331 -0.239 0 N-CA-C 109.667 -0.494 . . . . 0.0 109.667 174.211 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . -55.36 -35.58 61.22 Favored Glycine 0 C--N 1.336 0.562 0 C-N-CA 121.009 -0.615 . . . . 0.0 111.909 173.919 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 40.7 tt0 -66.14 -41.75 90.03 Favored 'General case' 0 C--N 1.329 -0.284 0 N-CA-C 110.31 -0.255 . . . . 0.0 110.31 176.621 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 81' ' ' VAL . . . . . 0.403 HG23 ' O ' ' A' ' 77' ' ' ARG . 60.2 t -62.71 -42.92 97.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.306 -0.406 . . . . 0.0 110.653 177.112 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 82' ' ' PHE . . . . . 0.483 ' O ' HG13 ' A' ' 86' ' ' ILE . 59.5 m-85 -58.88 -46.79 86.99 Favored 'General case' 0 C--N 1.332 -0.193 0 CA-C-O 120.996 0.427 . . . . 0.0 110.295 175.111 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 83' ' ' ARG . . . . . 0.446 ' HA ' HD12 ' A' ' 86' ' ' ILE . 74.7 ttt180 -63.68 -39.28 93.93 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 115.704 -0.68 . . . . 0.0 110.4 179.526 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 84' ' ' TYR . . . . . . . . . . . . . 68.1 t80 -58.21 -43.01 87.46 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 115.715 -0.675 . . . . 0.0 109.906 176.654 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -65.89 -34.15 77.47 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 116.079 -0.509 . . . . 0.0 111.048 179.139 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 86' ' ' ILE . . . . . 0.548 ' HA ' ' O ' ' A' ' 91' ' ' ALA . 79.6 mt -64.74 -41.49 92.35 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 CA-C-O 121.213 0.53 . . . . 0.0 110.381 177.128 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 87' ' ' VAL . . . . . 0.426 HG23 ' O ' ' A' ' 83' ' ' ARG . 47.7 t -74.04 -32.04 31.88 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.387 0 CA-C-N 115.95 -0.568 . . . . 0.0 110.973 -179.87 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 88' ' ' THR . . . . . . . . . . . . . 19.8 p -87.93 2.64 51.1 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-O 120.773 0.321 . . . . 0.0 111.499 -178.797 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . 66.96 37.97 92.5 Favored Glycine 0 N--CA 1.453 -0.203 0 C-N-CA 121.017 -0.611 . . . . 0.0 112.676 178.007 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 70.3 mtt180 -112.41 -15.75 13.05 Favored 'General case' 0 C--N 1.321 -0.645 0 CA-C-O 120.865 0.364 . . . . 0.0 110.471 178.147 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 91' ' ' ALA . . . . . 0.548 ' O ' ' HA ' ' A' ' 86' ' ' ILE . . . -155.74 169.27 24.75 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 115.841 -0.618 . . . . 0.0 110.04 -179.393 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 80.1 tttt -136.23 -64.84 0.59 Allowed 'General case' 0 C--N 1.322 -0.61 0 CA-C-N 116.301 -0.409 . . . . 0.0 110.112 176.873 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 93' ' ' TYR . . . . . . . . . . . . . 88.0 t80 -89.93 133.28 34.87 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.134 178.718 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 94' ' ' ASN . . . . . 0.445 ' HA ' ' HD3' ' A' ' 95' ' ' PRO . 26.5 p30 -114.41 148.75 40.89 Favored Pre-proline 0 C--N 1.319 -0.729 0 CA-C-N 115.75 -0.659 . . . . 0.0 110.248 178.822 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 95' ' ' PRO . . . . . 0.445 ' HD3' ' HA ' ' A' ' 94' ' ' ASN . 2.6 Cg_exo -77.78 28.53 0.45 Allowed 'Trans proline' 0 N--CA 1.464 -0.258 0 C-N-CA 123.061 2.507 . . . . 0.0 112.254 177.223 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 96' ' ' ALA . . . . . 0.505 ' N ' ' HD2' ' A' ' 97' ' ' PRO . . . -69.85 -47.9 22.76 Favored Pre-proline 0 CA--C 1.536 0.436 0 N-CA-C 111.626 0.232 . . . . 0.0 111.626 -179.353 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 97' ' ' PRO . . . . . 0.505 ' HD2' ' N ' ' A' ' 96' ' ' ALA . 19.2 Cg_endo -60.72 -32.83 93.5 Favored 'Trans proline' 0 C--N 1.357 1.023 0 C-N-CA 121.721 1.614 . . . . 0.0 111.537 173.816 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 23.9 m-20 -72.02 -36.47 69.71 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 115.753 -0.658 . . . . 0.0 110.225 177.697 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 99' ' ' LEU . . . . . 0.406 ' HB2' HD23 ' A' ' 55' ' ' LEU . 3.1 tm? -58.91 -44.68 91.29 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 115.802 -0.636 . . . . 0.0 109.993 176.601 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 100' ' ' ALA . . . . . . . . . . . . . . . -63.99 -41.15 97.6 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.727 179.803 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 32.1 t70 -68.44 -41.52 80.18 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.659 179.425 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -70.81 -17.95 62.75 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-O 121.032 0.444 . . . . 0.0 111.1 179.424 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 103' ' ' MET . . . . . 0.521 ' HE2' ' HD2' ' A' ' 75' ' ' ARG . 50.8 ttm -80.59 -50.38 10.06 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-O 120.926 0.393 . . . . 0.0 110.586 177.061 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 104' ' ' LYS . . . . . . . . . . . . . 62.6 tttm . . . . . 0 C--N 1.321 -0.663 0 CA-C-N 116.07 -0.514 . . . . 0.0 111.478 -176.31 . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 11.7 m120 . . . . . 0 CA--C 1.521 -0.166 0 CA-C-O 120.805 0.336 . . . . 0.0 110.4 . . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 20.2 m -62.53 141.45 58.43 Favored 'General case' 0 C--O 1.239 0.525 0 CA-C-N 116.028 -0.533 . . . . 0.0 110.087 176.608 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 7' ' ' PHE . . . . . 0.587 ' HE1' ' HZ ' ' A' ' 34' ' ' PHE . 18.7 t80 -56.57 -44.79 81.33 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.113 -175.014 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 49.2 m -57.39 -35.0 69.46 Favored 'General case' 0 CA--C 1.532 0.273 0 N-CA-C 112.11 0.411 . . . . 0.0 112.11 -179.46 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -67.46 -54.88 16.43 Favored 'General case' 0 C--O 1.237 0.399 0 CA-C-O 121.124 0.488 . . . . 0.0 110.654 -178.488 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 59.2 mt -66.25 -31.88 55.59 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-N 115.7 -0.682 . . . . 0.0 110.27 179.762 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 7.3 t80 -56.22 -48.01 77.31 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 115.843 -0.617 . . . . 0.0 111.157 175.806 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 82.9 tttt -63.54 -41.42 98.46 Favored 'General case' 0 C--N 1.329 -0.295 0 C-N-CA 120.718 -0.393 . . . . 0.0 110.496 -179.113 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 39.7 tt0 -63.08 -49.36 74.82 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.131 178.625 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 14' ' ' TRP . . . . . . . . . . . . . 62.5 t90 -57.56 -48.16 80.08 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 115.811 -0.631 . . . . 0.0 110.563 176.847 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 15' ' ' TYR . . . . . 0.539 ' CE1' ' HB2' ' A' ' 31' ' ' ALA . 22.4 t80 -55.69 -52.45 63.82 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 115.922 -0.581 . . . . 0.0 111.222 178.618 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 1.2 tp10 -61.71 -34.63 76.14 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-O 120.975 0.417 . . . . 0.0 110.65 -176.122 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 17' ' ' HIS . . . . . . . . . . . . . 1.6 m80 -71.02 -47.77 56.78 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 115.954 -0.566 . . . . 0.0 110.72 179.324 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 13.8 mmmm -75.49 -14.09 60.41 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.453 -0.34 . . . . 0.0 111.107 -178.21 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 36.7 ttpt -67.35 -17.7 64.86 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 121.438 0.637 . . . . 0.0 110.35 177.776 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 97.3 mt-30 -88.43 -10.24 49.86 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 115.817 -0.628 . . . . 0.0 110.346 177.093 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 46.5 t -100.29 -41.06 8.8 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.393 0 CA-C-N 115.855 -0.612 . . . . 0.0 110.738 -177.985 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 22' ' ' TRP . . . . . . . . . . . . . 12.4 m0 -92.5 165.42 13.03 Favored 'General case' 0 C--N 1.323 -0.565 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.488 179.775 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 15.1 p -68.4 136.58 53.54 Favored 'General case' 0 C--N 1.322 -0.599 0 N-CA-C 109.406 -0.59 . . . . 0.0 109.406 173.621 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 71.8 t -55.71 -38.68 51.82 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.413 0 N-CA-C 111.913 0.338 . . . . 0.0 111.913 -176.171 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -58.78 -50.08 71.06 Favored Glycine 0 N--CA 1.452 -0.256 0 C-N-CA 120.633 -0.794 . . . . 0.0 111.736 177.633 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 26' ' ' TYR . . . . . . . . . . . . . 48.7 t80 -70.19 -39.18 75.36 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-O 120.516 0.198 . . . . 0.0 110.822 179.413 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -60.96 -39.93 91.44 Favored 'General case' 0 C--N 1.332 -0.174 0 CA-C-O 120.829 0.347 . . . . 0.0 111.041 -178.9 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 50.1 m -67.57 -44.85 77.19 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 116.337 -0.392 . . . . 0.0 111.044 179.998 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 41.5 mt-10 -65.42 -44.41 87.48 Favored 'General case' 0 C--N 1.331 -0.196 0 CA-C-O 120.612 0.244 . . . . 0.0 110.732 177.778 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 9.7 tt -57.61 -40.87 80.09 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.309 177.736 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 31' ' ' ALA . . . . . 0.539 ' HB2' ' CE1' ' A' ' 15' ' ' TYR . . . -66.22 -55.63 15.26 Favored 'General case' 0 C--O 1.221 -0.44 0 CA-C-N 115.846 -0.615 . . . . 0.0 111.438 -179.787 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 32' ' ' LYS . . . . . 0.521 ' HA ' ' HB2' ' A' ' 35' ' ' ASP . 45.8 tttm -64.41 -28.25 69.55 Favored 'General case' 0 C--N 1.328 -0.331 0 C-N-CA 120.611 -0.436 . . . . 0.0 110.865 -175.741 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 33' ' ' MET . . . . . . . . . . . . . 8.2 tmm? -67.88 -45.53 74.22 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 121.086 0.469 . . . . 0.0 109.791 174.638 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 34' ' ' PHE . . . . . 0.587 ' HZ ' ' HE1' ' A' ' 7' ' ' PHE . 8.3 t80 -61.11 -44.11 97.85 Favored 'General case' 0 C--N 1.329 -0.315 0 N-CA-C 109.11 -0.7 . . . . 0.0 109.11 175.127 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 35' ' ' ASP . . . . . 0.521 ' HB2' ' HA ' ' A' ' 32' ' ' LYS . 0.3 OUTLIER -50.94 -66.81 0.32 Allowed 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 114.92 -1.036 . . . . 0.0 112.294 178.5 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 37.8 t70 -73.06 -25.85 61.06 Favored 'General case' 0 C--N 1.325 -0.471 0 N-CA-C 112.853 0.686 . . . . 0.0 112.853 -168.123 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 22.8 m-20 -99.86 -38.55 8.59 Favored 'General case' 0 C--N 1.322 -0.597 0 N-CA-C 112.398 0.518 . . . . 0.0 112.398 -176.176 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 38' ' ' ILE . . . . . 0.56 HD13 ' CD2' ' A' ' 34' ' ' PHE . 16.2 mt -97.26 -39.12 8.51 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.514 0 N-CA-C 112.35 0.5 . . . . 0.0 112.35 -171.407 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 39' ' ' LEU . . . . . 0.546 ' N ' ' HD2' ' A' ' 40' ' ' PRO . 40.2 mt -63.36 -41.09 65.57 Favored Pre-proline 0 CA--C 1.539 0.535 0 N-CA-C 113.288 0.848 . . . . 0.0 113.288 -175.105 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 40' ' ' PRO . . . . . 0.546 ' HD2' ' N ' ' A' ' 39' ' ' LEU . 34.2 Cg_endo -65.14 -9.42 21.73 Favored 'Trans proline' 0 C--N 1.355 0.902 0 C-N-CA 121.632 1.555 . . . . 0.0 112.581 176.868 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 41.7 mm -100.25 -60.75 2.63 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.421 0 CA-C-N 116.417 -0.356 . . . . 0.0 111.22 -178.276 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 42' ' ' ILE . . . . . 0.465 ' HA ' HD11 ' A' ' 45' ' ' LEU . 11.6 pt -120.69 7.68 6.24 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 N-CA-C 112.21 0.448 . . . . 0.0 112.21 -176.388 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -62.8 -33.18 86.21 Favored Glycine 0 N--CA 1.452 -0.27 0 C-N-CA 120.627 -0.797 . . . . 0.0 112.569 -176.316 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -93.41 8.93 74.83 Favored Glycine 0 N--CA 1.448 -0.537 0 C-N-CA 120.839 -0.696 . . . . 0.0 112.472 -178.962 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 45' ' ' LEU . . . . . 0.467 HD12 ' HG2' ' A' ' 54' ' ' GLN . 68.7 mt -96.84 139.77 32.39 Favored 'General case' 0 N--CA 1.451 -0.399 0 N-CA-C 109.966 -0.383 . . . . 0.0 109.966 178.53 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 46' ' ' GLU . . . . . 0.432 ' O ' HG13 ' A' ' 50' ' ' ILE . 4.4 mp0 -67.3 133.56 49.91 Favored 'General case' 0 C--N 1.323 -0.585 0 N-CA-C 109.219 -0.659 . . . . 0.0 109.219 174.504 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 47' ' ' ILE . . . . . 0.426 HD13 ' CB ' ' A' ' 85' ' ' ALA . 19.3 tt -58.96 -23.19 23.41 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.612 0 N-CA-C 112.309 0.485 . . . . 0.0 112.309 -171.965 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 63.5 tt0 -91.27 -17.45 25.96 Favored 'General case' 0 C--N 1.323 -0.565 0 CA-C-O 121.124 0.488 . . . . 0.0 111.068 -178.248 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 9.9 m-20 -130.93 76.6 1.73 Allowed 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 116.079 -0.509 . . . . 0.0 110.377 -177.806 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 50' ' ' ILE . . . . . 0.432 HG13 ' O ' ' A' ' 46' ' ' GLU . 59.4 mt -117.14 136.59 53.82 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.555 0 CA-C-N 115.995 -0.548 . . . . 0.0 110.926 -178.75 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 51' ' ' GLU . . . . . 0.435 ' HA ' ' HD2' ' A' ' 52' ' ' PRO . 10.6 tp10 -66.2 118.27 51.23 Favored Pre-proline 0 C--N 1.325 -0.467 0 CA-C-N 115.357 -0.838 . . . . 0.0 110.297 176.613 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 52' ' ' PRO . . . . . 0.435 ' HD2' ' HA ' ' A' ' 51' ' ' GLU . 9.5 Cg_endo -53.54 -41.12 75.98 Favored 'Trans proline' 0 C--N 1.346 0.421 0 C-N-CA 123.41 2.74 . . . . 0.0 113.156 -178.791 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 53' ' ' MET . . . . . . . . . . . . . 52.3 mtm -75.62 -15.29 60.36 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-O 121.043 0.449 . . . . 0.0 110.619 -179.267 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 54' ' ' GLN . . . . . 0.467 ' HG2' HD12 ' A' ' 45' ' ' LEU . 41.0 tp60 -80.47 -37.25 32.21 Favored 'General case' 0 C--N 1.326 -0.445 0 N-CA-C 108.98 -0.748 . . . . 0.0 108.98 178.828 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 55' ' ' LEU . . . . . 0.433 ' O ' ' HB ' ' A' ' 58' ' ' VAL . 26.1 tp -65.83 -35.57 81.06 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 115.549 -0.75 . . . . 0.0 109.485 175.577 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 2.9 tm? -67.2 -31.67 72.22 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 115.765 -0.652 . . . . 0.0 109.636 175.144 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 22.2 tt0 -65.82 -27.37 68.2 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.16 177.496 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 58' ' ' VAL . . . . . 0.538 ' O ' ' HB3' ' A' ' 61' ' ' ARG . 54.8 t -65.44 -52.51 50.65 Favored 'Isoleucine or valine' 0 C--O 1.236 0.374 0 CA-C-O 121.268 0.556 . . . . 0.0 110.304 171.21 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 59' ' ' ILE . . . . . 0.495 HG22 ' HE3' ' A' ' 103' ' ' MET . 1.8 mp -56.15 -41.51 69.66 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.419 0 CA-C-N 115.885 -0.598 . . . . 0.0 110.093 176.934 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 6.1 ttt180 -76.77 -20.39 56.5 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.91 -178.472 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 61' ' ' ARG . . . . . 0.538 ' HB3' ' O ' ' A' ' 58' ' ' VAL . 0.3 OUTLIER -58.25 -43.79 88.0 Favored 'General case' 0 C--N 1.33 -0.274 0 N-CA-C 109.116 -0.698 . . . . 0.0 109.116 172.457 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 62' ' ' PHE . . . . . . . . . . . . . 96.7 m-85 -77.61 -19.0 56.24 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-N 115.369 -0.832 . . . . 0.0 111.492 177.596 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 37.7 tt0 -69.59 -39.16 77.44 Favored 'General case' 0 C--N 1.327 -0.389 0 N-CA-C 109.735 -0.469 . . . . 0.0 109.735 176.939 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 45.4 m-20 -57.73 -34.32 69.39 Favored 'General case' 0 N--CA 1.467 0.387 0 CA-C-O 121.177 0.513 . . . . 0.0 110.278 174.01 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 58.0 mtp85 -86.17 -1.0 57.02 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 115.655 -0.702 . . . . 0.0 111.08 -176.5 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 64.49 40.76 97.95 Favored Glycine 0 N--CA 1.447 -0.572 0 C-N-CA 121.072 -0.585 . . . . 0.0 112.078 -178.904 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -127.83 89.27 2.91 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-O 120.801 0.334 . . . . 0.0 110.953 179.687 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 68' ' ' MET . . . . . 0.888 ' HE2' ' HA ' ' A' ' 68' ' ' MET . 14.0 mmt -73.4 -33.92 65.24 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-O 121.083 0.468 . . . . 0.0 109.939 178.942 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 34.0 mt-10 -60.2 -50.63 72.91 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 115.528 -0.76 . . . . 0.0 110.182 177.034 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 81.3 mtt180 -68.81 -26.5 65.22 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 115.883 -0.599 . . . . 0.0 110.604 -179.579 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -69.18 -41.48 77.11 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 121.102 0.477 . . . . 0.0 110.204 176.258 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 72' ' ' ASN . . . . . . . . . . . . . 83.3 m-20 -64.0 -42.83 97.04 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 115.858 -0.61 . . . . 0.0 110.154 175.063 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 1.6 mptm? -64.33 -33.42 75.8 Favored 'General case' 0 C--N 1.332 -0.167 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.717 176.354 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -60.54 -53.64 55.02 Favored 'General case' 0 C--N 1.331 -0.235 0 N-CA-C 110.287 -0.264 . . . . 0.0 110.287 175.293 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 75' ' ' ARG . . . . . 0.41 HH21 ' HE1' ' A' ' 103' ' ' MET . 26.2 ttm105 -54.4 -47.41 72.78 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 115.915 -0.584 . . . . 0.0 110.78 177.005 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 18.2 ttt180 -59.21 -53.48 57.75 Favored 'General case' 0 C--N 1.332 -0.188 0 CA-C-N 115.885 -0.598 . . . . 0.0 111.414 -179.05 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 77' ' ' ARG . . . . . 0.526 ' O ' HG22 ' A' ' 81' ' ' VAL . 87.3 mtm180 -59.01 -39.47 81.97 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.396 -0.366 . . . . 0.0 111.324 -177.18 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 78' ' ' CYS . . . . . . . . . . . . . 83.8 m -60.33 -48.96 79.52 Favored 'General case' 0 C--N 1.328 -0.368 0 N-CA-C 109.672 -0.492 . . . . 0.0 109.672 175.748 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . -58.71 -37.49 89.86 Favored Glycine 0 C--N 1.334 0.469 0 C-N-CA 121.247 -0.502 . . . . 0.0 112.458 177.14 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 43.0 mt-10 -61.25 -50.37 73.32 Favored 'General case' 0 C--N 1.333 -0.138 0 CA-C-N 116.699 0.249 . . . . 0.0 110.492 175.869 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 81' ' ' VAL . . . . . 0.526 HG22 ' O ' ' A' ' 77' ' ' ARG . 47.4 t -61.28 -43.32 96.31 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.253 0 CA-C-N 116.292 -0.413 . . . . 0.0 110.422 178.959 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 82' ' ' PHE . . . . . 0.625 ' HB3' ' HB3' ' A' ' 94' ' ' ASN . 19.3 m-85 -55.8 -52.79 62.76 Favored 'General case' 0 N--CA 1.462 0.152 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.788 176.542 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 83' ' ' ARG . . . . . 0.471 ' O ' HG22 ' A' ' 87' ' ' VAL . 23.4 ttm-85 -62.6 -41.34 98.92 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.669 -178.453 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 84' ' ' TYR . . . . . 0.449 ' O ' HG22 ' A' ' 88' ' ' THR . 71.2 t80 -57.37 -43.82 83.9 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.016 -0.538 . . . . 0.0 110.238 177.557 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 85' ' ' ALA . . . . . 0.426 ' CB ' HD13 ' A' ' 47' ' ' ILE . . . -69.31 -33.47 73.22 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 115.905 -0.589 . . . . 0.0 111.269 179.25 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 86' ' ' ILE . . . . . 0.577 ' HA ' ' O ' ' A' ' 91' ' ' ALA . 75.8 mt -62.43 -45.19 99.38 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.388 0 CA-C-O 120.773 0.321 . . . . 0.0 110.523 177.505 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 87' ' ' VAL . . . . . 0.471 HG22 ' O ' ' A' ' 83' ' ' ARG . 47.9 t -64.18 -41.32 92.07 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.35 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.335 -178.728 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 88' ' ' THR . . . . . 0.495 HG21 ' HG3' ' A' ' 90' ' ' ARG . 7.8 t -81.09 -9.55 59.8 Favored 'General case' 0 CA--C 1.538 0.484 0 CA-C-O 120.927 0.394 . . . . 0.0 111.303 -178.988 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . 87.12 24.71 36.37 Favored Glycine 0 CA--C 1.52 0.352 0 C-N-CA 120.656 -0.783 . . . . 0.0 113.446 175.424 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 90' ' ' ARG . . . . . 0.495 ' HG3' HG21 ' A' ' 88' ' ' THR . 50.8 mtt180 -102.85 -5.79 23.21 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-O 121.422 0.63 . . . . 0.0 109.845 177.637 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 91' ' ' ALA . . . . . 0.577 ' O ' ' HA ' ' A' ' 86' ' ' ILE . . . -150.25 164.01 36.8 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-N 115.151 -0.931 . . . . 0.0 108.768 175.431 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 66.7 mttm -136.17 -45.62 0.63 Allowed 'General case' 0 C--N 1.326 -0.447 0 CA-C-O 120.751 0.31 . . . . 0.0 110.923 -178.25 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 93' ' ' TYR . . . . . . . . . . . . . 81.4 t80 -117.7 127.76 54.24 Favored 'General case' 0 C--N 1.323 -0.562 0 N-CA-C 110.019 -0.363 . . . . 0.0 110.019 175.329 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 94' ' ' ASN . . . . . 0.625 ' HB3' ' HB3' ' A' ' 82' ' ' PHE . 0.3 OUTLIER -100.5 134.49 20.62 Favored Pre-proline 0 C--N 1.326 -0.438 0 CA-C-N 116.464 -0.334 . . . . 0.0 111.082 178.801 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 95' ' ' PRO . . . . . 0.491 ' HD3' ' HA ' ' A' ' 94' ' ' ASN . 6.9 Cg_exo -74.92 36.63 0.44 Allowed 'Trans proline' 0 CA--C 1.532 0.39 0 C-N-CA 123.448 2.765 . . . . 0.0 112.914 -179.333 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 96' ' ' ALA . . . . . 0.475 ' N ' ' HD2' ' A' ' 97' ' ' PRO . . . -68.77 -49.63 27.08 Favored Pre-proline 0 C--N 1.325 -0.464 0 CA-C-N 116.509 -0.314 . . . . 0.0 111.417 179.152 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 97' ' ' PRO . . . . . 0.475 ' HD2' ' N ' ' A' ' 96' ' ' ALA . 33.8 Cg_endo -66.1 -29.7 47.82 Favored 'Trans proline' 0 C--N 1.356 0.939 0 C-N-CA 121.724 1.616 . . . . 0.0 111.686 174.522 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 4.5 m-20 -67.19 -39.91 86.46 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 115.868 -0.605 . . . . 0.0 109.89 177.382 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 99' ' ' LEU . . . . . 0.4 ' HB2' HD21 ' A' ' 55' ' ' LEU . 3.2 tm? -54.5 -46.11 73.41 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 115.641 -0.709 . . . . 0.0 109.858 174.862 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 100' ' ' ALA . . . . . . . . . . . . . . . -65.09 -43.33 92.47 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 115.863 -0.608 . . . . 0.0 111.421 -178.937 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 101' ' ' ASP . . . . . 0.511 ' HA ' ' HD2' ' A' ' 104' ' ' LYS . 20.3 t70 -71.06 -37.25 72.51 Favored 'General case' 0 C--O 1.234 0.26 0 CA-C-O 120.881 0.372 . . . . 0.0 110.665 -177.985 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -64.39 -41.98 96.38 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 115.97 -0.559 . . . . 0.0 110.298 176.72 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 103' ' ' MET . . . . . 0.495 ' HE3' HG22 ' A' ' 59' ' ' ILE . 59.3 ttm -59.25 -37.46 77.64 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.006 -0.543 . . . . 0.0 110.444 176.891 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 104' ' ' LYS . . . . . 0.511 ' HD2' ' HA ' ' A' ' 101' ' ' ASP . 61.3 mttm . . . . . 0 C--N 1.328 -0.331 0 CA-C-N 115.959 -0.564 . . . . 0.0 111.07 177.338 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 5.0 m-20 . . . . . 0 C--O 1.234 0.24 0 CA-C-O 120.768 0.318 . . . . 0.0 111.415 . . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 6' ' ' SER . . . . . 0.534 ' HA ' ' HA ' ' A' ' 46' ' ' GLU . 69.5 m -71.24 156.55 39.41 Favored 'General case' 0 C--N 1.33 -0.282 0 N-CA-C 109.899 -0.408 . . . . 0.0 109.899 173.408 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 7' ' ' PHE . . . . . . . . . . . . . 26.9 t80 -59.12 -50.3 74.58 Favored 'General case' 0 C--N 1.329 -0.303 0 N-CA-C 111.766 0.284 . . . . 0.0 111.766 -172.777 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 69.1 m -55.07 -40.1 69.97 Favored 'General case' 0 N--CA 1.467 0.385 0 N-CA-C 111.894 0.331 . . . . 0.0 111.894 -179.508 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -65.82 -50.53 64.29 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.989 0.423 . . . . 0.0 111.004 -177.881 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 10' ' ' ILE . . . . . 0.488 HG12 ' HD3' ' A' ' 90' ' ' ARG . 55.9 mt -70.21 -38.04 73.37 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 CA-C-N 115.896 -0.593 . . . . 0.0 110.655 -179.153 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 11' ' ' TYR . . . . . 0.557 ' OH ' ' HA ' ' A' ' 31' ' ' ALA . 51.6 t80 -56.83 -43.29 80.9 Favored 'General case' 0 C--O 1.223 -0.33 0 CA-C-N 116.058 -0.519 . . . . 0.0 110.393 175.262 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 81.9 tttt -70.15 -36.57 74.83 Favored 'General case' 0 C--N 1.325 -0.478 0 C-N-CA 120.979 -0.288 . . . . 0.0 110.787 -177.75 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 41.6 tt0 -64.12 -42.87 96.68 Favored 'General case' 0 C--O 1.234 0.266 0 N-CA-C 109.508 -0.553 . . . . 0.0 109.508 176.04 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 14' ' ' TRP . . . . . . . . . . . . . 58.4 t90 -64.96 -49.39 70.49 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 115.601 -0.727 . . . . 0.0 110.711 175.727 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 15' ' ' TYR . . . . . . . . . . . . . 6.8 t80 -55.81 -48.36 75.56 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 115.985 -0.552 . . . . 0.0 111.268 178.514 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 28.9 tt0 -65.26 -33.45 76.03 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-O 121.009 0.433 . . . . 0.0 110.602 -177.116 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 17' ' ' HIS . . . . . . . . . . . . . 35.7 t60 -74.42 -40.4 62.02 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 115.747 -0.661 . . . . 0.0 110.435 178.727 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 29.5 mmtm -72.02 -28.51 63.43 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.15 177.922 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 37.0 ttpt -67.3 -15.27 63.59 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-O 121.109 0.48 . . . . 0.0 110.532 176.903 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 95.8 mt-30 -78.52 -8.68 58.82 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.098 -0.501 . . . . 0.0 109.923 175.783 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 79.3 t -113.8 -41.98 3.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 115.839 -0.619 . . . . 0.0 110.686 179.479 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 22' ' ' TRP . . . . . . . . . . . . . 30.7 m0 -78.59 168.45 19.75 Favored 'General case' 0 C--N 1.324 -0.524 0 CA-C-N 116.007 -0.542 . . . . 0.0 111.275 -179.23 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 40.2 m -77.08 151.44 35.47 Favored 'General case' 0 C--N 1.323 -0.565 0 N-CA-C 109.091 -0.707 . . . . 0.0 109.091 171.669 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 14.6 p -60.21 -37.35 73.17 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.423 0 CA-C-O 120.545 0.212 . . . . 0.0 111.188 -175.839 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -66.76 -44.72 88.69 Favored Glycine 0 N--CA 1.447 -0.599 0 C-N-CA 120.919 -0.658 . . . . 0.0 111.785 179.354 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 26' ' ' TYR . . . . . . . . . . . . . 88.6 t80 -67.17 -41.7 85.52 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-O 120.635 0.255 . . . . 0.0 110.509 179.623 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -64.52 -43.9 92.56 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 116.289 -0.414 . . . . 0.0 110.799 -179.313 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 51.7 m -66.66 -45.82 77.68 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.836 179.243 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 15.0 tp10 -63.05 -35.62 80.85 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-O 120.962 0.411 . . . . 0.0 110.534 -179.185 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 9.8 tt -68.01 -51.37 47.84 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-N 115.99 -0.55 . . . . 0.0 110.272 177.64 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 31' ' ' ALA . . . . . 0.557 ' HA ' ' OH ' ' A' ' 11' ' ' TYR . . . -63.22 -33.82 76.32 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.553 -179.571 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 87.0 tttt -62.38 -51.85 65.95 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-N 115.865 -0.607 . . . . 0.0 110.358 175.017 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 33' ' ' MET . . . . . . . . . . . . . 56.1 ttp -56.15 -50.3 71.51 Favored 'General case' 0 C--O 1.235 0.329 0 CA-C-N 115.716 -0.675 . . . . 0.0 110.727 177.658 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 34' ' ' PHE . . . . . 0.491 ' O ' ' HB ' ' A' ' 38' ' ' ILE . 4.1 t80 -60.17 -45.92 91.46 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-N 115.103 -0.953 . . . . 0.0 110.378 -179.108 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 35' ' ' ASP . . . . . 0.544 ' HA ' ' HB2' ' A' ' 39' ' ' LEU . 20.1 t70 -64.42 -50.36 67.89 Favored 'General case' 0 C--N 1.321 -0.634 0 CA-C-N 116.356 -0.384 . . . . 0.0 111.777 -177.59 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 8.3 m-20 -62.73 -38.96 92.54 Favored 'General case' 0 C--N 1.325 -0.462 0 N-CA-C 113.092 0.775 . . . . 0.0 113.092 -174.073 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 2.3 m-20 -106.99 -18.51 13.89 Favored 'General case' 0 C--N 1.328 -0.365 0 N-CA-C 113.24 0.83 . . . . 0.0 113.24 -173.029 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 38' ' ' ILE . . . . . 0.534 HG12 HG11 ' A' ' 58' ' ' VAL . 13.2 mt -110.37 -37.5 3.12 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.436 0 O-C-N 122.117 -0.364 . . . . 0.0 111.927 -174.363 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 39' ' ' LEU . . . . . 0.544 ' HB2' ' HA ' ' A' ' 35' ' ' ASP . 0.2 OUTLIER -59.47 -47.76 97.21 Favored Pre-proline 0 CA--C 1.539 0.537 0 N-CA-C 112.417 0.525 . . . . 0.0 112.417 -174.038 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 40' ' ' PRO . . . . . 0.5 ' HD2' ' N ' ' A' ' 39' ' ' LEU . 32.8 Cg_endo -64.58 -8.3 16.91 Favored 'Trans proline' 0 C--N 1.354 0.867 0 C-N-CA 121.982 1.788 . . . . 0.0 113.222 179.181 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 41' ' ' ILE . . . . . 0.412 HG22 HG23 ' A' ' 42' ' ' ILE . 49.0 mt -101.62 -55.04 6.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.693 -0.231 . . . . 0.0 111.594 -177.096 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 42' ' ' ILE . . . . . 0.412 HG23 HG22 ' A' ' 41' ' ' ILE . 9.1 pt -127.68 3.23 3.4 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.256 0 N-CA-C 112.459 0.54 . . . . 0.0 112.459 -177.458 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 43' ' ' GLY . . . . . 0.503 ' HA3' HD11 ' A' ' 39' ' ' LEU . . . -59.8 -41.53 97.66 Favored Glycine 0 N--CA 1.452 -0.293 0 C-N-CA 120.536 -0.84 . . . . 0.0 112.433 -176.103 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -85.12 7.85 73.36 Favored Glycine 0 N--CA 1.446 -0.642 0 C-N-CA 120.824 -0.703 . . . . 0.0 113.081 -179.391 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 91.6 mt -93.38 169.07 10.64 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 117.36 0.58 . . . . 0.0 110.312 179.652 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 46' ' ' GLU . . . . . 0.534 ' HA ' ' HA ' ' A' ' 6' ' ' SER . 46.5 mt-10 -91.86 142.35 27.67 Favored 'General case' 0 C--N 1.321 -0.637 0 N-CA-C 109.287 -0.635 . . . . 0.0 109.287 177.562 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 47' ' ' ILE . . . . . 0.435 HD12 ' HB2' ' A' ' 85' ' ' ALA . 12.4 tt -69.24 -14.98 19.11 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.554 0 CA-C-O 121.219 0.533 . . . . 0.0 110.755 -176.259 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 69.0 mt-30 -92.67 -8.8 43.0 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 115.888 -0.596 . . . . 0.0 109.97 177.68 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 37.8 t70 -138.51 78.85 1.7 Allowed 'General case' 0 C--N 1.326 -0.429 0 CA-C-O 121.204 0.526 . . . . 0.0 110.808 -173.908 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 50' ' ' ILE . . . . . . . . . . . . . 42.7 mt -131.53 118.14 38.18 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 CA-C-N 115.741 -0.663 . . . . 0.0 110.035 176.135 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 51' ' ' GLU . . . . . 0.459 ' HG3' ' HB2' ' A' ' 54' ' ' GLN . 5.4 pt-20 -75.2 140.36 73.03 Favored Pre-proline 0 C--N 1.315 -0.9 0 CA-C-N 115.357 -0.838 . . . . 0.0 110.39 -179.851 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 52' ' ' PRO . . . . . 0.798 ' HB3' ' HB3' ' A' ' 98' ' ' ASP . 10.1 Cg_endo -52.4 -40.27 71.51 Favored 'Trans proline' 0 C--N 1.344 0.317 0 C-N-CA 123.217 2.611 . . . . 0.0 113.048 -176.202 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 53' ' ' MET . . . . . . . . . . . . . 84.4 mmm -63.98 -32.19 73.64 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.723 0.297 . . . . 0.0 111.314 -179.522 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 54' ' ' GLN . . . . . 0.459 ' HB2' ' HG3' ' A' ' 51' ' ' GLU . 38.3 tp60 -77.54 -39.2 46.78 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-O 121.4 0.619 . . . . 0.0 109.671 -178.248 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 55' ' ' LEU . . . . . 0.643 HD22 ' HB2' ' A' ' 99' ' ' LEU . 25.6 tp -69.03 -38.41 79.15 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 115.711 -0.677 . . . . 0.0 110.056 178.61 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 56' ' ' LEU . . . . . 0.468 HD22 ' HB ' ' A' ' 59' ' ' ILE . 2.2 tm? -70.86 -28.19 64.39 Favored 'General case' 0 C--N 1.328 -0.328 0 N-CA-C 109.785 -0.45 . . . . 0.0 109.785 175.814 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 9.0 tp10 -58.83 -39.26 80.68 Favored 'General case' 0 C--N 1.327 -0.388 0 N-CA-C 109.433 -0.58 . . . . 0.0 109.433 176.553 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 58' ' ' VAL . . . . . 0.63 ' O ' ' HB3' ' A' ' 61' ' ' ARG . 56.1 t -60.11 -55.3 25.06 Favored 'Isoleucine or valine' 0 C--O 1.236 0.383 0 CA-C-O 121.487 0.661 . . . . 0.0 111.127 172.986 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 59' ' ' ILE . . . . . 0.468 ' HB ' HD22 ' A' ' 56' ' ' LEU . 50.8 mm -58.03 -48.07 85.18 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.557 0 CA-C-N 115.438 -0.801 . . . . 0.0 110.901 -177.971 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 60' ' ' ARG . . . . . 0.445 HH11 ' HD2' ' A' ' 60' ' ' ARG . 22.9 ttp85 -68.11 -29.04 67.87 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 115.501 -0.772 . . . . 0.0 110.547 -178.573 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 61' ' ' ARG . . . . . 0.63 ' HB3' ' O ' ' A' ' 58' ' ' VAL . 7.4 tpt180 -53.38 -45.48 69.28 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.164 -0.471 . . . . 0.0 109.885 173.921 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 62' ' ' PHE . . . . . . . . . . . . . 80.2 m-85 -68.97 -32.97 72.93 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 116.26 -0.427 . . . . 0.0 111.412 176.825 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 44.0 mt-10 -68.86 -39.16 80.02 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.695 -0.229 . . . . 0.0 110.951 178.823 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 2.0 m-20 -59.47 -31.17 69.09 Favored 'General case' 0 N--CA 1.464 0.254 0 CA-C-O 120.96 0.41 . . . . 0.0 110.504 174.08 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 65' ' ' ARG . . . . . 0.616 ' HG2' ' O ' ' A' ' 61' ' ' ARG . 36.4 mmm-85 -75.86 -25.51 56.25 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 115.735 -0.666 . . . . 0.0 110.366 178.29 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 90.87 8.3 65.3 Favored Glycine 0 N--CA 1.447 -0.604 0 N-CA-C 111.011 -0.836 . . . . 0.0 111.011 -174.53 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -90.19 82.97 5.98 Favored 'General case' 0 N--CA 1.448 -0.531 0 CA-C-O 120.978 0.418 . . . . 0.0 110.28 -179.261 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 68' ' ' MET . . . . . . . . . . . . . 33.0 mmm -69.72 -32.93 71.77 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 115.9 -0.591 . . . . 0.0 110.748 -174.082 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 40.8 mt-10 -63.43 -48.35 78.12 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-O 121.204 0.526 . . . . 0.0 109.806 177.277 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 39.1 mtt180 -70.63 -32.26 69.51 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-N 115.436 -0.802 . . . . 0.0 110.71 -175.297 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -62.04 -44.72 96.09 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-O 121.092 0.473 . . . . 0.0 110.549 176.34 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 72' ' ' ASN . . . . . . . . . . . . . 28.8 m-80 -72.49 -38.92 68.02 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 116.002 -0.545 . . . . 0.0 110.779 178.293 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 92.3 mttt -60.31 -40.78 91.76 Favored 'General case' 0 C--O 1.236 0.357 0 CA-C-N 116.353 -0.385 . . . . 0.0 110.775 177.353 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -58.02 -51.73 68.47 Favored 'General case' 0 N--CA 1.454 -0.255 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.108 176.63 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 75' ' ' ARG . . . . . 0.573 ' HE ' ' HE1' ' A' ' 103' ' ' MET . 33.6 ttm180 -56.36 -49.42 74.47 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 115.792 -0.64 . . . . 0.0 111.018 -178.289 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 85.0 mtt180 -61.17 -52.04 66.49 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 115.801 -0.636 . . . . 0.0 111.664 -176.627 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 77' ' ' ARG . . . . . 0.543 ' O ' HG23 ' A' ' 81' ' ' VAL . 51.8 mtt180 -83.89 -20.26 33.36 Favored 'General case' 0 C--N 1.327 -0.398 0 N-CA-C 112.784 0.661 . . . . 0.0 112.784 -171.63 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 78' ' ' CYS . . . . . . . . . . . . . 89.8 m -66.74 -44.57 81.14 Favored 'General case' 0 C--N 1.329 -0.317 0 N-CA-C 109.072 -0.714 . . . . 0.0 109.072 170.229 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . -59.92 -32.95 76.6 Favored Glycine 0 N--CA 1.447 -0.616 0 CA-C-N 115.867 -0.606 . . . . 0.0 112.083 175.457 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 32.0 tt0 -68.95 -40.9 78.68 Favored 'General case' 0 N--CA 1.455 -0.215 0 C-N-CA 121.161 -0.216 . . . . 0.0 110.436 177.12 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 81' ' ' VAL . . . . . 0.543 HG23 ' O ' ' A' ' 77' ' ' ARG . 93.2 t -60.39 -45.95 95.85 Favored 'Isoleucine or valine' 0 C--O 1.232 0.158 0 CA-C-O 120.929 0.395 . . . . 0.0 110.147 176.311 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 82' ' ' PHE . . . . . 0.454 ' O ' HG13 ' A' ' 86' ' ' ILE . 49.1 m-85 -57.91 -45.04 87.12 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 116.071 -0.513 . . . . 0.0 110.758 176.622 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 15.3 ttm180 -68.22 -39.61 82.33 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.11 -0.496 . . . . 0.0 110.623 -179.663 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 84' ' ' TYR . . . . . . . . . . . . . 55.8 t80 -56.25 -44.79 80.02 Favored 'General case' 0 CA--C 1.517 -0.318 0 CA-C-N 116.12 -0.491 . . . . 0.0 109.881 175.546 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 85' ' ' ALA . . . . . 0.435 ' HB2' HD12 ' A' ' 47' ' ' ILE . . . -63.0 -38.61 91.89 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-N 115.753 -0.658 . . . . 0.0 111.115 179.325 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 86' ' ' ILE . . . . . 0.454 HG13 ' O ' ' A' ' 82' ' ' PHE . 76.5 mt -62.28 -44.0 98.65 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.529 0 CA-C-O 120.964 0.411 . . . . 0.0 110.505 177.624 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 87' ' ' VAL . . . . . . . . . . . . . 62.1 t -68.98 -32.93 56.49 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.294 0 CA-C-N 116.089 -0.505 . . . . 0.0 111.253 179.531 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 88' ' ' THR . . . . . . . . . . . . . 16.9 p -86.93 3.22 46.55 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-O 121.114 0.483 . . . . 0.0 111.266 -179.689 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . 68.39 31.53 74.28 Favored Glycine 0 N--CA 1.449 -0.444 0 CA-C-N 115.96 -0.564 . . . . 0.0 112.533 178.351 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 90' ' ' ARG . . . . . 0.488 ' HD3' HG12 ' A' ' 10' ' ' ILE . 95.8 mtt-85 -104.56 -23.9 13.06 Favored 'General case' 0 C--N 1.321 -0.643 0 CA-C-O 120.8 0.333 . . . . 0.0 110.922 -179.933 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . -132.95 155.74 48.55 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-O 120.932 0.396 . . . . 0.0 111.046 -178.04 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 82.0 mttt -109.54 -64.8 1.21 Allowed 'General case' 0 C--N 1.325 -0.494 0 CA-C-N 115.614 -0.721 . . . . 0.0 109.845 -179.32 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 93' ' ' TYR . . . . . . . . . . . . . 56.3 t80 -114.61 130.45 56.78 Favored 'General case' 0 C--N 1.323 -0.567 0 CA-C-N 115.345 -0.843 . . . . 0.0 109.424 -179.781 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 94' ' ' ASN . . . . . 0.484 ' HA ' ' HD3' ' A' ' 95' ' ' PRO . 22.1 p-10 -102.74 131.36 22.38 Favored Pre-proline 0 C--N 1.32 -0.675 0 CA-C-O 120.735 0.302 . . . . 0.0 110.305 178.962 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 95' ' ' PRO . . . . . 0.484 ' HD3' ' HA ' ' A' ' 94' ' ' ASN . 6.5 Cg_exo -73.89 29.08 0.32 Allowed 'Trans proline' 0 C--N 1.343 0.284 0 C-N-CA 123.31 2.674 . . . . 0.0 113.177 -177.321 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 96' ' ' ALA . . . . . 0.549 ' HB1' ' HD3' ' A' ' 97' ' ' PRO . . . -63.21 -48.21 83.69 Favored Pre-proline 0 C--N 1.324 -0.509 0 CA-C-N 116.687 -0.233 . . . . 0.0 111.409 178.591 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 97' ' ' PRO . . . . . 0.549 ' HD3' ' HB1' ' A' ' 96' ' ' ALA . 53.1 Cg_exo -57.99 -39.18 88.29 Favored 'Trans proline' 0 C--N 1.357 0.984 0 C-N-CA 121.9 1.734 . . . . 0.0 112.313 174.708 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 98' ' ' ASP . . . . . 0.798 ' HB3' ' HB3' ' A' ' 52' ' ' PRO . 3.7 m-20 -66.66 -40.23 88.53 Favored 'General case' 0 CA--C 1.517 -0.317 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.709 178.385 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 99' ' ' LEU . . . . . 0.643 ' HB2' HD22 ' A' ' 55' ' ' LEU . 2.9 tm? -54.68 -49.2 71.22 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 115.937 -0.574 . . . . 0.0 110.129 176.822 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 100' ' ' ALA . . . . . . . . . . . . . . . -64.35 -42.68 96.1 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 116.114 -0.494 . . . . 0.0 111.265 -178.545 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 11.4 t70 -71.15 -45.59 63.21 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.328 -0.397 . . . . 0.0 111.143 -175.495 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -63.55 -38.27 90.48 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 116.032 -0.531 . . . . 0.0 110.659 179.919 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 103' ' ' MET . . . . . 0.573 ' HE1' ' HE ' ' A' ' 75' ' ' ARG . 47.8 ttm -58.58 -43.43 89.45 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.026 -0.534 . . . . 0.0 110.426 177.638 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 104' ' ' LYS . . . . . . . . . . . . . 23.0 tptm . . . . . 0 C--N 1.325 -0.486 0 CA-C-N 115.575 -0.739 . . . . 0.0 110.808 -179.211 . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 13.8 m120 . . . . . 0 C--O 1.233 0.214 0 CA-C-O 121.173 0.511 . . . . 0.0 110.107 . . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 6' ' ' SER . . . . . 0.443 ' HA ' ' HA ' ' A' ' 46' ' ' GLU . 6.9 m -76.9 153.27 34.86 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-N 115.686 -0.688 . . . . 0.0 110.371 -179.388 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 7' ' ' PHE . . . . . . . . . . . . . 46.3 t80 -60.14 -46.81 88.4 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.299 -0.409 . . . . 0.0 111.172 -175.884 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 68.0 m -59.87 -35.21 74.32 Favored 'General case' 0 C--N 1.331 -0.206 0 N-CA-C 111.612 0.227 . . . . 0.0 111.612 -178.326 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -64.28 -50.38 68.11 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-O 120.856 0.36 . . . . 0.0 111.004 -179.639 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 55.5 mt -73.09 -31.46 35.13 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.412 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.433 -179.286 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -62.25 -39.3 92.41 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.093 173.403 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 86.3 tttt -69.57 -42.03 75.05 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 115.902 -0.59 . . . . 0.0 110.08 178.865 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 46.9 tp10 -59.39 -46.13 89.54 Favored 'General case' 0 C--O 1.236 0.384 0 CA-C-O 121.4 0.619 . . . . 0.0 109.991 175.375 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 14' ' ' TRP . . . . . 0.443 ' HZ2' ' HD2' ' A' ' 77' ' ' ARG . 44.9 t90 -60.3 -54.19 48.67 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 114.993 -1.003 . . . . 0.0 110.526 177.349 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 15' ' ' TYR . . . . . . . . . . . . . 22.2 t80 -55.77 -46.89 77.83 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.314 -0.403 . . . . 0.0 111.311 179.225 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 1.4 tm-20 -53.71 -47.85 70.15 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 121.083 0.468 . . . . 0.0 110.697 -177.088 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 17' ' ' HIS . . . . . . . . . . . . . 6.6 m-70 -83.22 -38.95 21.56 Favored 'General case' 0 C--N 1.321 -0.64 0 CA-C-N 116.113 -0.494 . . . . 0.0 111.104 -175.314 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 25.6 tptp -71.87 -21.66 61.62 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 116.462 -0.335 . . . . 0.0 111.276 -175.143 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 16.0 pttm -69.03 -12.16 61.43 Favored 'General case' 0 C--N 1.331 -0.202 0 CA-C-O 120.774 0.321 . . . . 0.0 110.696 -179.229 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 95.3 mt-30 -78.04 -25.91 48.08 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.965 0.412 . . . . 0.0 110.273 176.876 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 27.6 t -87.03 -29.37 5.72 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.389 0 CA-C-O 121.401 0.62 . . . . 0.0 110.02 178.88 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 22' ' ' TRP . . . . . . . . . . . . . 30.2 m0 -94.71 178.5 5.57 Favored 'General case' 0 C--N 1.323 -0.557 0 CA-C-N 115.803 -0.635 . . . . 0.0 110.408 177.277 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 43.8 m -87.96 143.86 26.87 Favored 'General case' 0 C--N 1.318 -0.785 0 N-CA-C 108.63 -0.878 . . . . 0.0 108.63 170.118 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 11.2 p -58.35 -33.56 47.97 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.383 0 O-C-N 123.12 0.263 . . . . 0.0 111.498 -172.949 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -62.13 -55.35 28.43 Favored Glycine 0 N--CA 1.45 -0.417 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.002 178.324 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 26' ' ' TYR . . . . . . . . . . . . . 70.5 t80 -68.75 -33.94 74.75 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.561 0.219 . . . . 0.0 110.917 179.855 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -58.6 -49.47 77.35 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-O 120.843 0.354 . . . . 0.0 110.535 178.147 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 9.2 m -70.71 -31.13 67.88 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.722 179.096 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 39.5 tt0 -65.59 -47.0 77.25 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 121.094 0.473 . . . . 0.0 110.249 176.823 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 10.3 tt -64.18 -37.93 89.24 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 115.722 -0.672 . . . . 0.0 109.721 176.771 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -62.73 -44.18 96.89 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 115.967 -0.56 . . . . 0.0 110.636 176.756 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 60.2 tttp -68.09 -31.32 70.86 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.384 -0.371 . . . . 0.0 110.586 179.003 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 33' ' ' MET . . . . . . . . . . . . . 11.9 tmm? -64.48 -52.55 57.32 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.049 174.905 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 34' ' ' PHE . . . . . 0.442 ' CG ' HD12 ' A' ' 38' ' ' ILE . 3.7 m-85 -56.67 -39.76 74.33 Favored 'General case' 0 N--CA 1.462 0.15 0 CA-C-N 116.015 -0.539 . . . . 0.0 110.196 173.883 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 35' ' ' ASP . . . . . 0.767 ' HA ' ' HG ' ' A' ' 39' ' ' LEU . 9.7 t70 -60.24 -67.05 0.43 Allowed 'General case' 0 C--N 1.324 -0.512 0 CA-C-N 115.268 -0.878 . . . . 0.0 111.382 -179.262 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 30.5 t70 -62.69 -36.28 82.42 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-N 115.553 -0.749 . . . . 0.0 112.519 -167.505 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 45.0 m-20 -100.93 -52.54 3.27 Favored 'General case' 0 C--N 1.324 -0.533 0 C-N-CA 120.743 -0.383 . . . . 0.0 111.942 -175.603 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 38' ' ' ILE . . . . . 0.53 HG12 HG12 ' A' ' 58' ' ' VAL . 15.8 mt -78.54 -35.01 18.43 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.641 0 N-CA-C 112.536 0.569 . . . . 0.0 112.536 -169.485 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 39' ' ' LEU . . . . . 0.767 ' HG ' ' HA ' ' A' ' 35' ' ' ASP . 19.6 mt -64.75 -47.19 75.84 Favored Pre-proline 0 CA--C 1.534 0.339 0 N-CA-C 113.043 0.757 . . . . 0.0 113.043 -174.068 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 40' ' ' PRO . . . . . 0.489 ' HD2' ' N ' ' A' ' 39' ' ' LEU . 26.7 Cg_endo -63.44 -15.57 49.27 Favored 'Trans proline' 0 C--N 1.353 0.808 0 C-N-CA 121.603 1.535 . . . . 0.0 112.546 176.857 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 41' ' ' ILE . . . . . 0.649 HG21 HG21 ' A' ' 42' ' ' ILE . 57.6 mt -91.07 -61.33 1.99 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 116.529 -0.305 . . . . 0.0 110.929 -179.171 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 42' ' ' ILE . . . . . 0.649 HG21 HG21 ' A' ' 41' ' ' ILE . 7.8 pt -130.74 -3.09 2.33 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.24 0 N-CA-C 112.702 0.63 . . . . 0.0 112.702 -177.263 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 43' ' ' GLY . . . . . 0.55 ' HA3' ' HA ' ' A' ' 39' ' ' LEU . . . -60.54 -34.75 87.1 Favored Glycine 0 N--CA 1.453 -0.176 0 C-N-CA 120.354 -0.927 . . . . 0.0 112.527 -176.485 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -85.35 4.65 85.31 Favored Glycine 0 N--CA 1.445 -0.707 0 C-N-CA 120.636 -0.792 . . . . 0.0 112.612 179.757 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 88.4 mt -94.97 169.37 10.18 Favored 'General case' 0 N--CA 1.449 -0.498 0 CA-C-O 120.991 0.424 . . . . 0.0 110.443 -179.933 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 46' ' ' GLU . . . . . 0.443 ' HA ' ' HA ' ' A' ' 6' ' ' SER . 40.0 tt0 -87.25 138.3 31.6 Favored 'General case' 0 C--N 1.32 -0.717 0 N-CA-C 109.299 -0.63 . . . . 0.0 109.299 177.789 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 47' ' ' ILE . . . . . 0.492 HD11 ' HA ' ' A' ' 82' ' ' PHE . 15.7 tt -64.05 -20.87 27.6 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.421 0 CA-C-O 121.133 0.492 . . . . 0.0 111.4 -173.754 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 79.7 mt-30 -85.42 -16.05 41.01 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 116.09 -0.505 . . . . 0.0 111.37 179.47 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 17.9 t70 -136.13 84.22 2.06 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-O 121.119 0.485 . . . . 0.0 110.935 -175.268 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 50' ' ' ILE . . . . . . . . . . . . . 78.9 mt -130.67 132.46 64.27 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.662 0 CA-C-N 115.696 -0.684 . . . . 0.0 109.741 176.324 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 37.7 mt-10 -71.38 140.04 84.65 Favored Pre-proline 0 C--N 1.327 -0.391 0 CA-C-N 116.665 -0.243 . . . . 0.0 110.571 -179.517 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 52' ' ' PRO . . . . . 0.658 ' HB3' ' HB3' ' A' ' 98' ' ' ASP . 41.4 Cg_exo -57.27 -34.69 98.28 Favored 'Trans proline' 0 C--N 1.341 0.172 0 C-N-CA 122.477 2.118 . . . . 0.0 111.177 174.457 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 53' ' ' MET . . . . . . . . . . . . . 89.4 mtp -66.32 -36.03 81.9 Favored 'General case' 0 C--O 1.223 -0.294 0 CA-C-N 115.552 -0.749 . . . . 0.0 110.621 178.506 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 77.8 mt-30 -75.32 -39.18 59.77 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 116.255 -0.43 . . . . 0.0 111.196 -178.803 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 21.7 tp -66.49 -33.92 76.76 Favored 'General case' 0 C--N 1.323 -0.573 0 N-CA-C 109.269 -0.641 . . . . 0.0 109.269 176.399 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 2.6 tm? -70.3 -36.17 74.17 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 115.821 -0.627 . . . . 0.0 109.787 174.777 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 57' ' ' GLU . . . . . 0.456 ' CD ' HH21 ' A' ' 60' ' ' ARG . 5.9 tp10 -61.38 -34.26 75.04 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 120.941 0.401 . . . . 0.0 109.945 177.886 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 58' ' ' VAL . . . . . 0.53 HG12 HG12 ' A' ' 38' ' ' ILE . 61.7 t -60.54 -55.49 24.06 Favored 'Isoleucine or valine' 0 C--O 1.236 0.35 0 CA-C-O 121.502 0.668 . . . . 0.0 110.352 173.801 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 59' ' ' ILE . . . . . 0.457 HG23 ' HE1' ' A' ' 103' ' ' MET . 1.7 mp -57.89 -45.34 87.57 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.57 0 CA-C-N 115.398 -0.819 . . . . 0.0 110.521 178.887 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 60' ' ' ARG . . . . . 0.456 HH21 ' CD ' ' A' ' 57' ' ' GLU . 13.8 ttp180 -69.92 -24.94 63.45 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 115.875 -0.602 . . . . 0.0 110.758 -177.923 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 61' ' ' ARG . . . . . 0.431 ' HB3' ' O ' ' A' ' 58' ' ' VAL . 16.1 tpt180 -60.39 -42.94 96.96 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.062 -0.517 . . . . 0.0 109.61 174.943 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 62' ' ' PHE . . . . . . . . . . . . . 93.9 m-85 -73.66 -32.22 63.87 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 115.816 -0.629 . . . . 0.0 110.994 176.399 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 41.2 mt-10 -68.91 -20.67 64.24 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.482 -0.326 . . . . 0.0 111.425 179.214 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 18.4 t70 -63.66 -41.05 98.25 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 121.128 0.49 . . . . 0.0 110.524 176.695 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 80.4 mtm-85 -87.48 -15.99 36.06 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-N 115.865 -0.607 . . . . 0.0 110.265 179.172 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 92.78 19.75 36.23 Favored Glycine 0 N--CA 1.452 -0.293 0 C-N-CA 120.97 -0.633 . . . . 0.0 112.511 177.209 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -82.79 77.41 9.54 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-O 120.888 0.375 . . . . 0.0 110.568 -179.647 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 68' ' ' MET . . . . . 0.905 ' HA ' ' HE3' ' A' ' 68' ' ' MET . 7.0 mmt -60.23 -42.16 94.62 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 115.999 -0.546 . . . . 0.0 111.377 -177.29 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 27.4 mt-10 -63.36 -46.31 87.13 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-N 115.979 -0.555 . . . . 0.0 110.4 -177.897 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 95.0 mtt180 -77.35 -26.49 52.07 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 115.852 -0.613 . . . . 0.0 111.283 -176.567 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -67.37 -47.66 69.73 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 121.054 0.454 . . . . 0.0 110.371 176.413 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 72' ' ' ASN . . . . . . . . . . . . . 88.8 m-20 -69.52 -31.1 69.12 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 115.964 -0.562 . . . . 0.0 110.652 178.573 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 74.5 tttt -74.8 -33.04 62.17 Favored 'General case' 0 N--CA 1.453 -0.311 0 CA-C-N 116.394 -0.366 . . . . 0.0 110.1 178.495 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -59.49 -48.26 82.34 Favored 'General case' 0 CA--C 1.519 -0.236 0 N-CA-C 109.677 -0.49 . . . . 0.0 109.677 174.221 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 72.2 ttt180 -54.68 -51.64 64.86 Favored 'General case' 0 C--O 1.234 0.27 0 CA-C-N 115.873 -0.603 . . . . 0.0 110.774 176.297 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 23.2 mtp180 -59.61 -53.85 53.23 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 115.967 -0.56 . . . . 0.0 111.907 -179.049 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 77' ' ' ARG . . . . . 0.473 ' O ' HG22 ' A' ' 81' ' ' VAL . 21.3 mmt180 -71.83 -32.55 67.65 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-N 116.435 -0.348 . . . . 0.0 111.901 -172.445 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 78' ' ' CYS . . . . . . . . . . . . . 99.5 m -63.81 -46.38 85.39 Favored 'General case' 0 C--N 1.329 -0.295 0 N-CA-C 109.231 -0.655 . . . . 0.0 109.231 172.342 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . -60.82 -27.51 66.81 Favored Glycine 0 N--CA 1.448 -0.502 0 C-N-CA 120.938 -0.649 . . . . 0.0 111.848 175.569 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 31.2 tt0 -73.81 -37.65 64.82 Favored 'General case' 0 C--N 1.329 -0.317 0 N-CA-C 110.238 -0.282 . . . . 0.0 110.238 177.208 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 81' ' ' VAL . . . . . 0.473 HG22 ' O ' ' A' ' 77' ' ' ARG . 86.0 t -61.8 -45.6 98.34 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.229 0 N-CA-C 109.573 -0.528 . . . . 0.0 109.573 172.919 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 82' ' ' PHE . . . . . 0.5 ' O ' HG13 ' A' ' 86' ' ' ILE . 57.8 m-85 -58.29 -49.88 75.59 Favored 'General case' 0 C--N 1.332 -0.18 0 CA-C-N 115.906 -0.588 . . . . 0.0 110.402 174.493 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 83' ' ' ARG . . . . . 0.516 ' O ' HG22 ' A' ' 87' ' ' VAL . 4.9 ttp180 -58.33 -41.25 84.14 Favored 'General case' 0 C--N 1.332 -0.188 0 CA-C-N 115.954 -0.566 . . . . 0.0 111.268 179.474 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 84' ' ' TYR . . . . . . . . . . . . . 61.9 t80 -61.47 -40.27 93.91 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-O 121.105 0.479 . . . . 0.0 110.162 178.742 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 85' ' ' ALA . . . . . 0.491 ' HA ' HG23 ' A' ' 88' ' ' THR . . . -71.48 -29.59 65.01 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 115.842 -0.617 . . . . 0.0 110.933 178.423 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 86' ' ' ILE . . . . . 0.5 HG13 ' O ' ' A' ' 82' ' ' PHE . 81.2 mt -66.86 -43.26 89.67 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.395 0 CA-C-O 121.026 0.441 . . . . 0.0 109.956 174.401 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 87' ' ' VAL . . . . . 0.516 HG22 ' O ' ' A' ' 83' ' ' ARG . 91.2 t -63.47 -43.0 98.21 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 115.834 -0.621 . . . . 0.0 111.061 179.149 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 88' ' ' THR . . . . . 0.491 HG23 ' HA ' ' A' ' 85' ' ' ALA . 3.5 t -73.32 -14.5 61.31 Favored 'General case' 0 CA--C 1.537 0.459 0 CA-C-O 121.077 0.465 . . . . 0.0 110.443 -179.966 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . 86.26 27.64 30.05 Favored Glycine 0 C--N 1.331 0.305 0 C-N-CA 120.995 -0.621 . . . . 0.0 113.377 174.967 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 74.7 mtt180 -120.79 7.95 10.51 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-O 121.02 0.438 . . . . 0.0 111.167 179.002 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . -140.1 134.9 31.96 Favored 'General case' 0 C--N 1.323 -0.573 0 N-CA-C 109.238 -0.653 . . . . 0.0 109.238 170.658 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 97.8 mttt -91.27 -47.22 7.61 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-O 120.689 0.28 . . . . 0.0 111.354 -175.427 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 93' ' ' TYR . . . . . . . . . . . . . 12.7 p90 -138.79 162.68 34.13 Favored 'General case' 0 C--N 1.323 -0.586 0 N-CA-C 109.974 -0.38 . . . . 0.0 109.974 -179.111 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 94' ' ' ASN . . . . . 0.407 ' HB3' ' HB3' ' A' ' 82' ' ' PHE . 27.6 p-10 -119.34 135.76 24.17 Favored Pre-proline 0 C--N 1.32 -0.685 0 CA-C-N 116.187 -0.461 . . . . 0.0 109.931 177.237 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 95' ' ' PRO . . . . . . . . . . . . . 72.8 Cg_endo -75.88 32.99 0.39 Allowed 'Trans proline' 0 CA--C 1.53 0.31 0 C-N-CA 122.788 2.325 . . . . 0.0 113.076 -177.919 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 96' ' ' ALA . . . . . 0.579 ' N ' ' HD2' ' A' ' 97' ' ' PRO . . . -66.52 -44.74 56.78 Favored Pre-proline 0 C--N 1.327 -0.412 0 CA-C-N 116.478 -0.328 . . . . 0.0 111.879 179.315 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 97' ' ' PRO . . . . . 0.579 ' HD2' ' N ' ' A' ' 96' ' ' ALA . 16.1 Cg_endo -58.31 -43.58 45.58 Favored 'Trans proline' 0 C--N 1.357 0.997 0 C-N-CA 122.068 1.845 . . . . 0.0 112.152 174.588 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 98' ' ' ASP . . . . . 0.658 ' HB3' ' HB3' ' A' ' 52' ' ' PRO . 2.1 m-20 -70.05 -32.21 70.21 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.419 -0.355 . . . . 0.0 111.123 178.902 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 99' ' ' LEU . . . . . . . . . . . . . 3.2 tm? -58.0 -50.66 72.65 Favored 'General case' 0 C--N 1.328 -0.338 0 N-CA-C 109.203 -0.665 . . . . 0.0 109.203 173.182 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 100' ' ' ALA . . . . . 0.579 ' O ' ' HG3' ' A' ' 104' ' ' LYS . . . -63.72 -42.55 97.91 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 115.566 -0.743 . . . . 0.0 110.719 179.059 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 12.4 t70 -64.77 -40.22 94.91 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.867 -178.285 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -65.71 -37.25 85.91 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.427 177.794 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 103' ' ' MET . . . . . 0.457 ' HE1' HG23 ' A' ' 59' ' ' ILE . 46.5 ttm -64.06 -38.01 89.51 Favored 'General case' 0 C--N 1.323 -0.571 0 CA-C-N 116.012 -0.54 . . . . 0.0 110.392 177.613 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 104' ' ' LYS . . . . . 0.579 ' HG3' ' O ' ' A' ' 100' ' ' ALA . 78.1 mttt . . . . . 0 N--CA 1.464 0.257 0 CA-C-N 115.959 -0.564 . . . . 0.0 110.814 179.117 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 12.6 m120 . . . . . 0 C--O 1.234 0.259 0 CA-C-O 120.802 0.334 . . . . 0.0 110.666 . . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 6' ' ' SER . . . . . 0.521 ' HA ' ' HA ' ' A' ' 46' ' ' GLU . 4.7 p -70.73 147.3 49.18 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.111 177.542 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 7' ' ' PHE . . . . . 0.668 ' HE1' ' HZ ' ' A' ' 34' ' ' PHE . 15.3 t80 -64.12 -40.61 96.57 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 116.266 -0.424 . . . . 0.0 110.653 -175.571 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 20.4 p -57.58 -45.68 84.94 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.373 -0.376 . . . . 0.0 111.303 179.07 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -63.21 -50.15 71.41 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.156 -0.474 . . . . 0.0 111.473 -178.109 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 10' ' ' ILE . . . . . 0.411 HD12 HG23 ' A' ' 47' ' ' ILE . 57.5 mt -68.4 -37.33 77.7 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.386 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.826 -177.938 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 11' ' ' TYR . . . . . 0.562 ' HH ' ' HA ' ' A' ' 31' ' ' ALA . 87.5 t80 -58.94 -38.7 79.6 Favored 'General case' 0 C--O 1.223 -0.325 0 N-CA-C 110.165 -0.309 . . . . 0.0 110.165 174.621 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 84.6 tttt -67.4 -40.38 85.63 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.594 -0.276 . . . . 0.0 110.871 -178.463 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 13' ' ' GLU . . . . . 0.47 ' O ' ' HD2' ' A' ' 17' ' ' HIS . 37.6 tt0 -64.07 -50.57 67.86 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 121.081 0.467 . . . . 0.0 109.794 177.153 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 14' ' ' TRP . . . . . . . . . . . . . 69.1 t90 -57.26 -44.24 83.76 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 115.502 -0.772 . . . . 0.0 110.285 176.847 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 15' ' ' TYR . . . . . 0.504 ' CE1' ' HB2' ' A' ' 31' ' ' ALA . 42.1 t80 -61.52 -46.94 87.81 Favored 'General case' 0 C--O 1.222 -0.364 0 CA-C-N 115.79 -0.641 . . . . 0.0 111.472 178.253 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 28.6 tt0 -59.55 -41.34 89.88 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.82 0.343 . . . . 0.0 110.658 -176.918 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 17' ' ' HIS . . . . . 0.47 ' HD2' ' O ' ' A' ' 13' ' ' GLU . 70.1 m-70 -67.48 -42.22 83.29 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.608 177.929 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 39.4 mmtm -69.18 -27.41 65.49 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-O 120.924 0.392 . . . . 0.0 111.086 178.36 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 37.7 ttpt -65.07 -23.41 67.17 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-N 116.024 -0.534 . . . . 0.0 110.452 178.848 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 90.8 mt-30 -80.69 -17.43 51.13 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-N 115.917 -0.583 . . . . 0.0 110.094 177.975 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 50.5 t -93.83 -51.4 11.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 115.59 -0.732 . . . . 0.0 110.668 -179.222 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 22' ' ' TRP . . . . . . . . . . . . . 11.9 m0 -81.82 171.68 14.23 Favored 'General case' 0 C--N 1.322 -0.623 0 CA-C-N 115.852 -0.613 . . . . 0.0 110.581 -178.176 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 11.6 p -76.05 142.86 41.69 Favored 'General case' 0 C--N 1.323 -0.583 0 CA-C-N 115.916 -0.583 . . . . 0.0 109.568 173.254 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 14.2 p -57.19 -36.77 52.9 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.351 0 N-CA-C 111.741 0.275 . . . . 0.0 111.741 -175.941 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -64.18 -43.31 97.3 Favored Glycine 0 N--CA 1.451 -0.358 0 C-N-CA 120.79 -0.719 . . . . 0.0 112.008 178.933 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 26' ' ' TYR . . . . . . . . . . . . . 78.1 t80 -71.27 -40.25 71.06 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-O 121.001 0.429 . . . . 0.0 109.972 178.712 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -60.45 -46.75 88.94 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 115.766 -0.652 . . . . 0.0 111.186 179.982 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 94.6 m -59.86 -44.77 93.96 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.678 -0.237 . . . . 0.0 111.169 178.438 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 32.3 tt0 -62.18 -44.83 95.73 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-O 120.888 0.375 . . . . 0.0 110.536 -179.623 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 8.8 tt -63.15 -45.3 92.54 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 115.693 -0.685 . . . . 0.0 110.696 -179.148 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 31' ' ' ALA . . . . . 0.562 ' HA ' ' HH ' ' A' ' 11' ' ' TYR . . . -68.96 -47.33 65.89 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.074 -0.512 . . . . 0.0 111.313 -178.562 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 64.7 tttm -60.14 -39.49 86.5 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.928 0.394 . . . . 0.0 110.731 -179.481 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 33' ' ' MET . . . . . 0.633 ' SD ' ' HD3' ' A' ' 70' ' ' ARG . 45.8 ttp -60.16 -39.4 86.28 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-O 121.211 0.529 . . . . 0.0 110.26 176.835 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 34' ' ' PHE . . . . . 0.668 ' HZ ' ' HE1' ' A' ' 7' ' ' PHE . 18.8 t80 -67.29 -46.8 72.52 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 115.753 -0.658 . . . . 0.0 109.644 178.179 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 35' ' ' ASP . . . . . 0.494 ' O ' ' HB2' ' A' ' 39' ' ' LEU . 18.4 m-20 -57.42 -54.2 49.47 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-N 116.063 -0.517 . . . . 0.0 110.984 177.307 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 10.2 m-20 -53.88 -60.15 3.69 Favored 'General case' 0 C--N 1.326 -0.426 0 N-CA-C 112.608 0.595 . . . . 0.0 112.608 -173.596 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 68.5 m-20 -90.05 -40.56 12.22 Favored 'General case' 0 C--N 1.323 -0.577 0 C-N-CA 120.639 -0.424 . . . . 0.0 112.041 -172.856 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 38' ' ' ILE . . . . . 0.564 HD12 ' CD2' ' A' ' 34' ' ' PHE . 15.6 mt -88.27 -32.07 5.88 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.634 0 N-CA-C 112.634 0.605 . . . . 0.0 112.634 -167.244 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 39' ' ' LEU . . . . . 0.494 ' HB2' ' O ' ' A' ' 35' ' ' ASP . 0.2 OUTLIER -60.74 -49.35 89.94 Favored Pre-proline 0 CA--C 1.538 0.513 0 C-N-CA 120.949 -0.301 . . . . 0.0 111.773 -175.282 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 40' ' ' PRO . . . . . 0.463 ' HD2' ' N ' ' A' ' 39' ' ' LEU . 41.5 Cg_endo -68.15 -1.38 7.02 Favored 'Trans proline' 0 C--N 1.353 0.78 0 C-N-CA 121.791 1.661 . . . . 0.0 112.902 178.329 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 41' ' ' ILE . . . . . 0.434 HG22 HG22 ' A' ' 42' ' ' ILE . 37.2 mm -102.46 -59.73 3.22 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.404 0 C-N-CA 121.225 -0.19 . . . . 0.0 110.825 179.223 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 42' ' ' ILE . . . . . 0.434 HG22 HG22 ' A' ' 41' ' ' ILE . 5.2 pt -129.04 -1.16 3.03 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.252 0 N-CA-C 112.061 0.393 . . . . 0.0 112.061 -178.162 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 43' ' ' GLY . . . . . 0.477 ' HA3' HD21 ' A' ' 39' ' ' LEU . . . -61.77 -35.33 91.1 Favored Glycine 0 N--CA 1.453 -0.232 0 C-N-CA 120.685 -0.769 . . . . 0.0 112.721 -174.326 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -88.08 -0.35 83.19 Favored Glycine 0 N--CA 1.447 -0.571 0 C-N-CA 120.695 -0.764 . . . . 0.0 112.709 -179.646 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 91.2 mt -88.37 164.63 15.44 Favored 'General case' 0 C--N 1.327 -0.377 0 N-CA-C 109.776 -0.454 . . . . 0.0 109.776 -179.474 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 46' ' ' GLU . . . . . 0.521 ' HA ' ' HA ' ' A' ' 6' ' ' SER . 42.8 mt-10 -89.29 140.14 29.79 Favored 'General case' 0 C--N 1.321 -0.637 0 N-CA-C 109.657 -0.497 . . . . 0.0 109.657 177.185 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 47' ' ' ILE . . . . . 0.424 HD11 ' HB3' ' A' ' 85' ' ' ALA . 16.5 tt -64.36 -18.21 22.57 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.611 0 CA-C-O 121.233 0.54 . . . . 0.0 111.499 -173.226 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 85.1 mt-30 -85.83 -20.71 28.74 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-N 116.036 -0.529 . . . . 0.0 110.88 -178.422 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 14.6 t70 -132.99 83.92 2.1 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-O 121.146 0.498 . . . . 0.0 110.618 -174.873 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 50' ' ' ILE . . . . . . . . . . . . . 51.7 mt -132.04 124.06 52.19 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.65 0 CA-C-N 115.67 -0.696 . . . . 0.0 109.941 175.742 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 51' ' ' GLU . . . . . 0.634 ' HG3' ' HB2' ' A' ' 54' ' ' GLN . 9.1 pt-20 -73.59 138.84 77.43 Favored Pre-proline 0 C--N 1.321 -0.638 0 CA-C-N 115.8 -0.636 . . . . 0.0 110.205 177.758 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 52' ' ' PRO . . . . . . . . . . . . . 11.2 Cg_endo -55.57 -35.15 92.06 Favored 'Trans proline' 0 C--N 1.344 0.296 0 C-N-CA 123.05 2.5 . . . . 0.0 113.022 -176.786 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 53' ' ' MET . . . . . . . . . . . . . 66.7 mtt -71.25 -27.67 63.62 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.551 -0.295 . . . . 0.0 111.009 -177.94 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 54' ' ' GLN . . . . . 0.634 ' HB2' ' HG3' ' A' ' 51' ' ' GLU . 44.2 tp60 -75.29 -41.82 56.21 Favored 'General case' 0 C--N 1.327 -0.403 0 N-CA-C 109.49 -0.559 . . . . 0.0 109.49 178.02 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 55' ' ' LEU . . . . . 0.533 ' O ' ' HB ' ' A' ' 58' ' ' VAL . 38.9 tp -64.67 -36.41 84.19 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-O 121.477 0.656 . . . . 0.0 109.437 175.365 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 56' ' ' LEU . . . . . 0.515 HD12 ' HE ' ' A' ' 60' ' ' ARG . 2.7 tm? -67.65 -32.34 72.96 Favored 'General case' 0 C--N 1.326 -0.413 0 CA-C-N 115.446 -0.797 . . . . 0.0 110.24 176.979 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 33.0 tt0 -64.29 -31.92 73.32 Favored 'General case' 0 N--CA 1.454 -0.266 0 N-CA-C 109.875 -0.417 . . . . 0.0 109.875 176.936 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 58' ' ' VAL . . . . . 0.538 HG13 HG12 ' A' ' 38' ' ' ILE . 43.8 t -58.72 -54.36 34.67 Favored 'Isoleucine or valine' 0 C--O 1.236 0.359 0 CA-C-O 121.203 0.525 . . . . 0.0 110.238 171.561 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 59' ' ' ILE . . . . . 0.5 HG23 ' HE2' ' A' ' 103' ' ' MET . 1.8 mp -55.17 -45.11 77.21 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 115.581 -0.736 . . . . 0.0 110.876 178.713 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 60' ' ' ARG . . . . . 0.515 ' HE ' HD12 ' A' ' 56' ' ' LEU . 74.5 mtt-85 -80.74 -9.69 59.78 Favored 'General case' 0 C--N 1.328 -0.364 0 N-CA-C 112.109 0.411 . . . . 0.0 112.109 -177.871 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 47.9 tpt85 -69.37 -39.55 77.99 Favored 'General case' 0 C--N 1.324 -0.506 0 N-CA-C 108.715 -0.846 . . . . 0.0 108.715 171.748 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 62' ' ' PHE . . . . . . . . . . . . . 75.5 m-85 -71.73 -33.25 68.56 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-N 115.692 -0.685 . . . . 0.0 110.263 172.594 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 63' ' ' GLU . . . . . 0.436 ' CB ' ' HA ' ' A' ' 60' ' ' ARG . 33.4 tt0 -58.64 -53.65 55.97 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.014 -0.539 . . . . 0.0 110.726 177.915 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 1.6 p30 -69.78 -20.37 63.48 Favored 'General case' 0 N--CA 1.465 0.292 0 C-N-CA 120.994 -0.283 . . . . 0.0 110.952 -179.931 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 36.7 ttt180 -76.73 -22.36 53.96 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 121.203 0.525 . . . . 0.0 110.015 175.959 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 104.75 -8.1 46.31 Favored Glycine 0 N--CA 1.447 -0.589 0 CA-C-N 115.781 -0.645 . . . . 0.0 112.571 177.77 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -89.18 107.38 19.02 Favored 'General case' 0 C--N 1.326 -0.413 0 CA-C-O 120.874 0.369 . . . . 0.0 110.942 -176.546 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 68' ' ' MET . . . . . 0.794 ' HE1' ' HA ' ' A' ' 68' ' ' MET . 3.2 mmt -85.63 -47.7 9.58 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.817 -178.002 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 18.7 tt0 -62.48 -45.31 93.62 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.054 -0.521 . . . . 0.0 110.445 -179.602 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 70' ' ' ARG . . . . . 0.633 ' HD3' ' SD ' ' A' ' 33' ' ' MET . 55.4 mtt180 -73.7 -14.5 61.15 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-N 115.815 -0.629 . . . . 0.0 111.205 -177.642 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -70.44 -42.99 70.82 Favored 'General case' 0 C--O 1.233 0.218 0 N-CA-C 109.434 -0.58 . . . . 0.0 109.434 172.09 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 72' ' ' ASN . . . . . . . . . . . . . 9.9 t30 -66.5 -36.15 82.01 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 115.787 -0.642 . . . . 0.0 109.926 174.496 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 73' ' ' LYS . . . . . 0.529 ' HB2' ' HA ' ' A' ' 70' ' ' ARG . 46.8 mttp -59.37 -37.09 77.02 Favored 'General case' 0 C--N 1.333 -0.152 0 CA-C-N 116.115 -0.493 . . . . 0.0 111.228 176.214 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -63.38 -55.85 21.11 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-O 120.96 0.41 . . . . 0.0 110.004 176.373 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 63.5 ttt180 -50.71 -50.97 53.98 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 114.935 -1.029 . . . . 0.0 111.534 179.039 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 33.5 ttt85 -63.21 -48.94 76.19 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 115.744 -0.662 . . . . 0.0 111.864 -177.535 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 77' ' ' ARG . . . . . 0.511 ' O ' HG22 ' A' ' 81' ' ' VAL . 73.6 mtm180 -63.38 -49.13 75.03 Favored 'General case' 0 CA--C 1.518 -0.287 0 C-N-CA 121.226 -0.19 . . . . 0.0 111.398 -177.693 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 78' ' ' CYS . . . . . . . . . . . . . 74.5 m -55.6 -42.57 75.02 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-O 120.745 0.307 . . . . 0.0 110.245 179.159 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . -57.95 -39.89 92.46 Favored Glycine 0 N--CA 1.448 -0.533 0 CA-C-N 115.968 -0.56 . . . . 0.0 112.585 177.558 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 33.0 tt0 -76.47 -30.85 57.46 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.916 0.358 . . . . 0.0 110.722 179.498 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 81' ' ' VAL . . . . . 0.511 HG22 ' O ' ' A' ' 77' ' ' ARG . 93.0 t -62.3 -44.12 98.8 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 N-CA-C 109.65 -0.5 . . . . 0.0 109.65 173.764 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 82' ' ' PHE . . . . . 0.545 ' O ' HG13 ' A' ' 86' ' ' ILE . 41.0 m-85 -59.02 -48.03 83.08 Favored 'General case' 0 C--N 1.332 -0.192 0 CA-C-N 115.812 -0.631 . . . . 0.0 109.933 172.865 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 83' ' ' ARG . . . . . 0.437 ' O ' HG23 ' A' ' 87' ' ' VAL . 56.6 ttt180 -54.5 -51.38 65.28 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 115.537 -0.756 . . . . 0.0 110.871 177.578 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 84' ' ' TYR . . . . . . . . . . . . . 56.8 t80 -54.75 -43.64 72.91 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 115.752 -0.658 . . . . 0.0 110.464 178.944 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 85' ' ' ALA . . . . . 0.424 ' HB3' HD11 ' A' ' 47' ' ' ILE . . . -66.43 -39.69 89.08 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-N 116.069 -0.514 . . . . 0.0 111.337 179.716 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 86' ' ' ILE . . . . . 0.572 ' HA ' ' O ' ' A' ' 91' ' ' ALA . 67.6 mt -63.6 -39.97 87.32 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.355 0 CA-C-O 121.124 0.488 . . . . 0.0 110.568 178.676 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 87' ' ' VAL . . . . . 0.437 HG23 ' O ' ' A' ' 83' ' ' ARG . 63.9 t -69.94 -36.98 71.53 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.432 0 CA-C-N 115.962 -0.563 . . . . 0.0 111.08 178.755 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 88' ' ' THR . . . . . . . . . . . . . 20.6 p -83.66 -7.14 59.56 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 116.288 -0.415 . . . . 0.0 111.534 -178.163 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . 85.15 24.58 43.69 Favored Glycine 0 CA--C 1.519 0.332 0 C-N-CA 120.776 -0.726 . . . . 0.0 113.336 176.669 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 56.5 mtm180 -109.11 -4.34 16.67 Favored 'General case' 0 C--N 1.323 -0.587 0 CA-C-O 120.991 0.424 . . . . 0.0 110.764 178.574 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 91' ' ' ALA . . . . . 0.572 ' O ' ' HA ' ' A' ' 86' ' ' ILE . . . -149.38 165.11 33.03 Favored 'General case' 0 C--N 1.326 -0.418 0 N-CA-C 109.042 -0.725 . . . . 0.0 109.042 174.586 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 99.3 mttt -132.11 -12.81 3.2 Favored 'General case' 0 C--N 1.327 -0.409 0 N-CA-C 112.469 0.544 . . . . 0.0 112.469 -177.996 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 93' ' ' TYR . . . . . . . . . . . . . 18.1 p90 -146.41 163.45 35.6 Favored 'General case' 0 C--N 1.325 -0.474 0 C-N-CA 120.713 -0.395 . . . . 0.0 110.539 178.873 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 94' ' ' ASN . . . . . . . . . . . . . 6.4 m120 -108.37 134.52 20.19 Favored Pre-proline 0 C--N 1.325 -0.485 0 N-CA-C 109.497 -0.557 . . . . 0.0 109.497 175.583 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 95' ' ' PRO . . . . . . . . . . . . . 4.6 Cg_exo -77.45 11.85 2.03 Favored 'Trans proline' 0 N--CA 1.462 -0.348 0 C-N-CA 122.689 2.26 . . . . 0.0 111.38 169.919 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 96' ' ' ALA . . . . . 0.556 ' N ' ' HD2' ' A' ' 97' ' ' PRO . . . -61.71 -47.43 92.3 Favored Pre-proline 0 CA--C 1.538 0.505 0 CA-C-N 115.923 -0.58 . . . . 0.0 112.484 -178.594 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 97' ' ' PRO . . . . . 0.556 ' HD2' ' N ' ' A' ' 96' ' ' ALA . 9.5 Cg_endo -53.84 -49.5 16.98 Favored 'Trans proline' 0 C--N 1.357 0.981 0 C-N-CA 122.254 1.969 . . . . 0.0 111.839 174.925 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 3.1 m-20 -68.71 -28.45 66.85 Favored 'General case' 0 C--N 1.326 -0.413 0 CA-C-N 115.478 -0.783 . . . . 0.0 111.007 -179.214 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 99' ' ' LEU . . . . . . . . . . . . . 3.2 tm? -58.58 -45.94 87.99 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-O 120.979 0.418 . . . . 0.0 109.884 176.092 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 100' ' ' ALA . . . . . . . . . . . . . . . -66.18 -38.88 89.09 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 115.806 -0.634 . . . . 0.0 110.711 179.585 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 31.6 t70 -69.25 -40.99 77.54 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 115.991 -0.55 . . . . 0.0 110.794 179.097 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -65.25 -35.44 81.04 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.665 178.599 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 103' ' ' MET . . . . . 0.5 ' HE2' HG23 ' A' ' 59' ' ' ILE . 50.7 ttm -60.49 -38.9 85.78 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-O 121.241 0.543 . . . . 0.0 109.784 175.769 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 104' ' ' LYS . . . . . . . . . . . . . 82.2 tttt . . . . . 0 C--N 1.325 -0.458 0 CA-C-N 115.018 -0.992 . . . . 0.0 110.89 177.356 . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 81.0 m-20 . . . . . 0 CA--C 1.521 -0.173 0 CA-C-O 120.831 0.348 . . . . 0.0 110.4 . . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 6' ' ' SER . . . . . 0.58 ' HA ' ' HA ' ' A' ' 46' ' ' GLU . 21.8 m -61.47 140.75 58.02 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.003 -0.544 . . . . 0.0 110.519 177.642 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 7' ' ' PHE . . . . . . . . . . . . . 55.5 t80 -58.2 -45.9 86.8 Favored 'General case' 0 C--N 1.329 -0.309 0 N-CA-C 109.754 -0.462 . . . . 0.0 109.754 178.994 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 5.6 p -54.98 -40.61 70.24 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.358 -0.383 . . . . 0.0 111.564 177.0 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -65.04 -51.92 58.78 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.438 -0.346 . . . . 0.0 111.101 -179.131 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 81.0 mt -68.04 -36.84 76.94 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.256 0 CA-C-O 120.847 0.356 . . . . 0.0 110.451 -179.875 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 11' ' ' TYR . . . . . 0.571 ' OH ' ' HA ' ' A' ' 31' ' ' ALA . 55.9 t80 -61.47 -43.55 98.66 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.808 176.272 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 56.1 tptt -58.3 -44.55 88.58 Favored 'General case' 0 C--O 1.235 0.323 0 CA-C-O 121.058 0.456 . . . . 0.0 110.304 178.515 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 44.8 tt0 -64.28 -50.73 66.74 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 115.705 -0.68 . . . . 0.0 110.284 178.28 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 14' ' ' TRP . . . . . . . . . . . . . 66.6 t90 -58.82 -43.97 90.77 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 115.566 -0.743 . . . . 0.0 111.198 179.573 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 15' ' ' TYR . . . . . 0.57 ' CE1' ' HB1' ' A' ' 31' ' ' ALA . 29.1 t80 -56.42 -60.31 3.71 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.318 -0.401 . . . . 0.0 111.38 -179.575 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 44.0 mt-10 -66.19 -25.21 66.83 Favored 'General case' 0 C--N 1.329 -0.304 0 C-N-CA 121.109 -0.236 . . . . 0.0 111.274 -175.075 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 17' ' ' HIS . . . . . . . . . . . . . 47.8 t60 -70.14 -50.16 43.27 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.883 0.373 . . . . 0.0 110.246 175.684 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 14.4 mmmm -74.17 -21.25 59.92 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.86 0.362 . . . . 0.0 110.711 -179.793 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 47.8 tttm -65.54 -22.26 66.69 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 115.972 -0.558 . . . . 0.0 110.634 176.79 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 96.1 mt-30 -88.74 5.22 44.45 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-O 121.334 0.588 . . . . 0.0 110.141 177.483 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 46.7 t -117.19 -41.56 2.75 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.377 0 CA-C-N 115.401 -0.818 . . . . 0.0 109.948 177.81 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 22' ' ' TRP . . . . . . . . . . . . . 29.2 m0 -82.61 -173.28 4.53 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 115.856 -0.611 . . . . 0.0 110.775 178.673 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 13.1 m -96.46 159.37 14.98 Favored 'General case' 0 C--N 1.323 -0.549 0 N-CA-C 109.033 -0.728 . . . . 0.0 109.033 173.873 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 14.9 p -63.5 -45.62 97.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 N-CA-C 111.936 0.347 . . . . 0.0 111.936 -172.258 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -64.2 -49.01 69.1 Favored Glycine 0 C--N 1.332 0.328 0 C-N-CA 120.743 -0.742 . . . . 0.0 112.076 -179.228 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 26' ' ' TYR . . . . . . . . . . . . . 88.4 t80 -57.47 -44.73 85.08 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-O 120.787 0.327 . . . . 0.0 110.735 178.172 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -65.11 -41.82 94.53 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.364 -0.38 . . . . 0.0 110.887 -179.522 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 53.0 m -64.34 -43.99 92.87 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.357 -0.383 . . . . 0.0 111.061 -179.604 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 49.5 mt-10 -62.95 -46.03 89.67 Favored 'General case' 0 C--O 1.233 0.218 0 CA-C-O 120.715 0.293 . . . . 0.0 111.0 179.126 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 9.7 tt -62.42 -40.7 97.4 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.038 -0.528 . . . . 0.0 110.411 179.054 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 31' ' ' ALA . . . . . 0.571 ' HA ' ' OH ' ' A' ' 11' ' ' TYR . . . -64.0 -47.03 81.95 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 115.841 -0.618 . . . . 0.0 111.615 -178.965 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 54.6 tttp -66.94 -29.93 69.93 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-O 120.816 0.341 . . . . 0.0 110.747 -179.255 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 33' ' ' MET . . . . . 0.43 ' SD ' ' HD2' ' A' ' 70' ' ' ARG . 58.0 ttp -59.21 -44.34 92.27 Favored 'General case' 0 C--N 1.329 -0.326 0 N-CA-C 109.701 -0.481 . . . . 0.0 109.701 174.439 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 34' ' ' PHE . . . . . 0.514 ' CD2' HD11 ' A' ' 38' ' ' ILE . 16.5 m-85 -67.24 -38.63 85.52 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 115.74 -0.664 . . . . 0.0 110.919 176.249 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 35' ' ' ASP . . . . . 0.535 ' HA ' ' HB2' ' A' ' 39' ' ' LEU . 21.2 m-20 -60.38 -63.52 1.27 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.737 0.303 . . . . 0.0 111.122 178.749 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 1.4 m-20 -61.42 -50.32 73.3 Favored 'General case' 0 C--N 1.325 -0.487 0 N-CA-C 113.168 0.803 . . . . 0.0 113.168 -171.306 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 20.1 m-20 -93.38 -28.04 16.4 Favored 'General case' 0 C--N 1.324 -0.528 0 N-CA-C 112.661 0.615 . . . . 0.0 112.661 -171.525 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 38' ' ' ILE . . . . . 0.515 HG12 HG12 ' A' ' 58' ' ' VAL . 9.9 mt -106.49 -37.89 4.06 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 N-CA-C 112.717 0.636 . . . . 0.0 112.717 -169.178 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 39' ' ' LEU . . . . . 0.535 ' HB2' ' HA ' ' A' ' 35' ' ' ASP . 0.4 OUTLIER -62.56 -47.71 87.91 Favored Pre-proline 0 CA--C 1.541 0.608 0 N-CA-C 112.375 0.509 . . . . 0.0 112.375 -172.865 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 40' ' ' PRO . . . . . 0.471 ' HD2' ' N ' ' A' ' 39' ' ' LEU . 42.4 Cg_endo -67.48 -7.49 19.35 Favored 'Trans proline' 0 C--N 1.354 0.848 0 C-N-CA 121.743 1.628 . . . . 0.0 112.662 179.284 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 41' ' ' ILE . . . . . 0.531 HG22 HG23 ' A' ' 42' ' ' ILE . 44.0 mm -97.36 -66.49 1.04 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.429 0 CA-C-N 116.307 -0.406 . . . . 0.0 110.667 -179.918 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 42' ' ' ILE . . . . . 0.531 HG23 HG22 ' A' ' 41' ' ' ILE . 10.5 pt -118.42 3.79 7.14 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.224 0 N-CA-C 112.471 0.545 . . . . 0.0 112.471 -174.752 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -57.12 -38.22 84.57 Favored Glycine 0 C--O 1.235 0.184 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.997 -175.223 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -92.47 10.33 74.35 Favored Glycine 0 N--CA 1.447 -0.603 0 C-N-CA 120.799 -0.715 . . . . 0.0 112.722 -177.757 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 45' ' ' LEU . . . . . 0.488 HD13 ' HA ' ' A' ' 42' ' ' ILE . 85.3 mt -98.1 150.51 21.36 Favored 'General case' 0 C--N 1.325 -0.462 0 N-CA-C 110.121 -0.326 . . . . 0.0 110.121 179.578 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 46' ' ' GLU . . . . . 0.58 ' HA ' ' HA ' ' A' ' 6' ' ' SER . 32.3 mt-10 -86.32 145.32 26.96 Favored 'General case' 0 C--N 1.319 -0.728 0 CA-C-O 121.036 0.446 . . . . 0.0 110.465 177.443 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 14.7 tt -60.22 -23.78 28.64 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.615 0 CA-C-N 115.267 -0.879 . . . . 0.0 112.688 -167.855 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 72.7 mt-30 -88.6 -18.41 28.08 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.94 0.4 . . . . 0.0 110.824 178.729 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 38.6 t70 -100.82 -19.14 16.09 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 116.004 -0.544 . . . . 0.0 111.754 -168.575 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 50' ' ' ILE . . . . . 0.458 HG13 ' O ' ' A' ' 46' ' ' GLU . 67.7 mt -56.27 130.48 18.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-O 121.064 0.459 . . . . 0.0 111.711 -177.597 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 42.6 mt-10 -86.41 152.47 55.04 Favored Pre-proline 0 C--N 1.325 -0.469 0 CA-C-N 115.701 -0.681 . . . . 0.0 110.682 178.962 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 52' ' ' PRO . . . . . . . . . . . . . 19.5 Cg_endo -59.85 -31.99 94.68 Favored 'Trans proline' 0 C--N 1.344 0.305 0 C-N-CA 122.602 2.201 . . . . 0.0 111.441 176.01 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 53' ' ' MET . . . . . . . . . . . . . 87.7 mtp -62.39 -41.54 98.73 Favored 'General case' 0 C--O 1.225 -0.19 0 CA-C-N 116.017 -0.538 . . . . 0.0 110.847 178.352 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 54' ' ' GLN . . . . . 0.404 ' HB3' HG21 ' A' ' 42' ' ' ILE . 63.1 mt-30 -73.92 -39.54 63.75 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 115.967 -0.56 . . . . 0.0 111.347 -176.788 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 55' ' ' LEU . . . . . 0.465 HD23 ' HB2' ' A' ' 99' ' ' LEU . 19.8 tp -67.32 -35.12 78.79 Favored 'General case' 0 C--N 1.321 -0.642 0 CA-C-O 121.208 0.527 . . . . 0.0 109.817 178.913 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 2.6 tm? -75.38 -32.77 60.91 Favored 'General case' 0 C--N 1.329 -0.319 0 N-CA-C 109.577 -0.527 . . . . 0.0 109.577 176.69 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 46.2 tt0 -58.25 -39.82 80.17 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 115.801 -0.636 . . . . 0.0 109.835 174.148 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 58' ' ' VAL . . . . . 0.515 HG12 HG12 ' A' ' 38' ' ' ILE . 54.1 t -56.73 -54.59 27.34 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.39 0 CA-C-N 115.428 -0.805 . . . . 0.0 110.705 173.397 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 59' ' ' ILE . . . . . 0.43 HG22 ' HB1' ' A' ' 71' ' ' ALA . 1.7 mp -59.44 -39.49 79.3 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.417 0 CA-C-N 116.001 -0.545 . . . . 0.0 110.914 179.647 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 25.5 mtm180 -67.31 -29.68 69.32 Favored 'General case' 0 CA--C 1.517 -0.322 0 C-N-CA 121.185 -0.206 . . . . 0.0 111.428 177.028 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 61' ' ' ARG . . . . . 0.431 ' HA ' ' HD2' ' A' ' 61' ' ' ARG . 18.1 tpt85 -60.09 -37.88 81.25 Favored 'General case' 0 C--N 1.326 -0.42 0 N-CA-C 109.322 -0.621 . . . . 0.0 109.322 176.757 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 62' ' ' PHE . . . . . . . . . . . . . 84.8 m-85 -68.0 -39.86 83.16 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 115.661 -0.699 . . . . 0.0 110.794 173.538 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 63' ' ' GLU . . . . . 0.447 ' HG2' ' HE2' ' A' ' 68' ' ' MET . 23.6 mt-10 -62.74 -43.19 99.44 Favored 'General case' 0 N--CA 1.462 0.171 0 CA-C-N 116.5 -0.318 . . . . 0.0 111.054 178.742 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -48.04 -42.75 29.17 Favored 'General case' 0 N--CA 1.465 0.297 0 CA-C-N 115.979 -0.555 . . . . 0.0 111.44 174.115 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 40.1 mtm105 -81.15 -29.27 34.75 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 116.426 -0.352 . . . . 0.0 111.339 179.901 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 107.98 21.91 7.52 Favored Glycine 0 N--CA 1.451 -0.347 0 C-N-CA 120.842 -0.694 . . . . 0.0 112.756 178.464 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -97.01 100.94 12.43 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 122.52 -0.4 . . . . 0.0 110.467 179.101 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 68' ' ' MET . . . . . 0.926 ' HE1' ' HA ' ' A' ' 68' ' ' MET . 9.0 mmt -81.13 -57.26 3.6 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-O 120.596 0.236 . . . . 0.0 111.436 -177.708 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 25.4 tt0 -60.53 -42.38 96.36 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-N 116.383 -0.371 . . . . 0.0 110.91 -178.065 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 70' ' ' ARG . . . . . 0.561 ' HA ' ' HB2' ' A' ' 73' ' ' LYS . 28.6 mtm180 -74.73 -15.74 60.76 Favored 'General case' 0 C--N 1.329 -0.302 0 C-N-CA 120.734 -0.386 . . . . 0.0 111.825 -178.823 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 71' ' ' ALA . . . . . 0.43 ' HB1' HG22 ' A' ' 59' ' ' ILE . . . -70.65 -39.61 73.51 Favored 'General case' 0 C--N 1.33 -0.281 0 N-CA-C 109.391 -0.596 . . . . 0.0 109.391 171.917 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 72' ' ' ASN . . . . . . . . . . . . . 58.0 t30 -73.07 -37.43 66.8 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 115.662 -0.699 . . . . 0.0 109.882 176.343 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 73' ' ' LYS . . . . . 0.561 ' HB2' ' HA ' ' A' ' 70' ' ' ARG . 41.8 mttp -58.77 -40.74 84.82 Favored 'General case' 0 N--CA 1.462 0.15 0 CA-C-N 116.315 -0.402 . . . . 0.0 110.691 174.843 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -56.82 -54.14 49.81 Favored 'General case' 0 CA--C 1.519 -0.225 0 N-CA-C 110.204 -0.295 . . . . 0.0 110.204 176.951 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 57.5 ttt180 -54.13 -49.04 70.1 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 115.906 -0.588 . . . . 0.0 111.123 176.882 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 60.3 ttt180 -61.05 -48.19 82.9 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 115.781 -0.645 . . . . 0.0 111.384 -176.604 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 77' ' ' ARG . . . . . 0.411 ' O ' HG21 ' A' ' 81' ' ' VAL . 9.9 mmp_? -68.96 -38.46 79.42 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.976 -178.673 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 78' ' ' CYS . . . . . . . . . . . . . 81.5 m -64.04 -40.09 95.54 Favored 'General case' 0 C--N 1.332 -0.157 0 N-CA-C 109.992 -0.373 . . . . 0.0 109.992 176.503 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . -57.7 -34.43 70.4 Favored Glycine 0 N--CA 1.449 -0.448 0 C-N-CA 121.216 -0.516 . . . . 0.0 111.821 175.094 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 42.1 tt0 -70.45 -38.03 74.42 Favored 'General case' 0 C--N 1.33 -0.271 0 N-CA-C 110.055 -0.35 . . . . 0.0 110.055 176.608 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 81' ' ' VAL . . . . . 0.411 HG21 ' O ' ' A' ' 77' ' ' ARG . 61.6 t -60.82 -45.58 97.73 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.247 0 N-CA-C 109.952 -0.388 . . . . 0.0 109.952 175.353 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 82' ' ' PHE . . . . . 0.508 ' O ' HG13 ' A' ' 86' ' ' ILE . 60.1 m-85 -60.12 -45.39 93.15 Favored 'General case' 0 C--N 1.332 -0.179 0 CA-C-N 116.028 -0.533 . . . . 0.0 110.167 174.725 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 83' ' ' ARG . . . . . 0.481 ' O ' HG22 ' A' ' 87' ' ' VAL . 22.7 ttt180 -59.7 -45.12 93.09 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 115.876 -0.602 . . . . 0.0 110.815 178.577 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 84' ' ' TYR . . . . . . . . . . . . . 27.6 t80 -58.89 -38.77 79.62 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 115.949 -0.569 . . . . 0.0 109.86 177.901 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -69.53 -34.3 74.04 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 115.766 -0.652 . . . . 0.0 111.014 178.339 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 86' ' ' ILE . . . . . 0.508 HG13 ' O ' ' A' ' 82' ' ' PHE . 77.5 mt -66.57 -43.8 90.41 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 CA-C-O 120.966 0.412 . . . . 0.0 109.983 175.698 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 87' ' ' VAL . . . . . 0.481 HG22 ' O ' ' A' ' 83' ' ' ARG . 98.4 t -61.89 -48.85 86.68 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 115.721 -0.672 . . . . 0.0 110.669 177.544 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 88' ' ' THR . . . . . . . . . . . . . 18.2 p -69.33 -20.34 63.87 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.147 179.671 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . 89.03 27.05 24.66 Favored Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 120.955 -0.64 . . . . 0.0 113.051 176.781 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 64.9 mtt180 -98.62 -28.77 13.4 Favored 'General case' 0 C--N 1.322 -0.608 0 CA-C-O 121.064 0.459 . . . . 0.0 110.628 179.344 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . -120.25 115.81 24.34 Favored 'General case' 0 C--N 1.321 -0.641 0 CA-C-N 116.325 -0.398 . . . . 0.0 110.435 179.775 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 49.8 tttm -83.63 -21.78 32.4 Favored 'General case' 0 C--N 1.324 -0.543 0 CA-C-O 121.231 0.539 . . . . 0.0 109.927 -179.704 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 93' ' ' TYR . . . . . . . . . . . . . 90.2 t80 -147.08 142.38 27.35 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-N 115.473 -0.785 . . . . 0.0 109.562 179.288 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 94' ' ' ASN . . . . . . . . . . . . . 24.6 p-10 -120.27 132.47 24.1 Favored Pre-proline 0 C--N 1.322 -0.593 0 CA-C-O 120.858 0.361 . . . . 0.0 110.181 178.095 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 95' ' ' PRO . . . . . . . . . . . . . 69.1 Cg_endo -76.62 33.47 0.42 Allowed 'Trans proline' 0 CA--C 1.532 0.377 0 C-N-CA 122.827 2.351 . . . . 0.0 112.812 -179.212 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 96' ' ' ALA . . . . . 0.521 ' N ' ' HD2' ' A' ' 97' ' ' PRO . . . -67.38 -47.37 48.52 Favored Pre-proline 0 CA--C 1.537 0.469 0 CA-C-N 116.345 -0.389 . . . . 0.0 111.802 179.674 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 97' ' ' PRO . . . . . 0.521 ' HD2' ' N ' ' A' ' 96' ' ' ALA . 28.5 Cg_endo -64.12 -33.23 62.06 Favored 'Trans proline' 0 C--N 1.356 0.928 0 C-N-CA 121.871 1.714 . . . . 0.0 111.832 174.654 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 6.5 m-20 -68.67 -39.12 80.74 Favored 'General case' 0 C--N 1.326 -0.413 0 CA-C-N 115.99 -0.55 . . . . 0.0 109.943 178.497 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 99' ' ' LEU . . . . . 0.465 ' HB2' HD23 ' A' ' 55' ' ' LEU . 2.9 tm? -57.98 -43.98 86.84 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 115.337 -0.847 . . . . 0.0 109.592 172.906 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 100' ' ' ALA . . . . . 0.583 ' O ' ' HG3' ' A' ' 104' ' ' LYS . . . -58.96 -44.36 91.45 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 115.746 -0.661 . . . . 0.0 110.713 178.63 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 101' ' ' ASP . . . . . 0.706 ' HA ' ' HD2' ' A' ' 104' ' ' LYS . 0.4 OUTLIER -64.16 -33.22 75.3 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.325 -0.398 . . . . 0.0 111.759 179.84 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -69.3 -30.5 68.6 Favored 'General case' 0 C--N 1.324 -0.531 0 CA-C-O 121.241 0.543 . . . . 0.0 110.283 176.638 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 103' ' ' MET . . . . . . . . . . . . . 54.1 ttm -78.16 -23.23 47.77 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-N 115.683 -0.689 . . . . 0.0 110.393 177.552 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 104' ' ' LYS . . . . . 0.706 ' HD2' ' HA ' ' A' ' 101' ' ' ASP . 79.1 mttt . . . . . 0 C--N 1.328 -0.334 0 CA-C-O 121.321 0.582 . . . . 0.0 110.335 177.557 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 85.4 m-20 . . . . . 0 N--CA 1.465 0.285 0 CA-C-O 121.175 0.512 . . . . 0.0 110.175 . . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 1.6 m -58.37 140.45 53.59 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-N 115.518 -0.765 . . . . 0.0 110.462 178.629 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 7' ' ' PHE . . . . . . . . . . . . . 51.8 t80 -53.25 -48.8 67.94 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.5 -0.318 . . . . 0.0 110.698 -178.98 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 59.3 m -57.23 -32.58 66.69 Favored 'General case' 0 N--CA 1.464 0.253 0 N-CA-C 112.048 0.388 . . . . 0.0 112.048 -179.254 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -69.55 -50.4 45.23 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-O 121.312 0.577 . . . . 0.0 111.239 -176.811 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 10' ' ' ILE . . . . . 0.488 HG21 ' HB3' ' A' ' 85' ' ' ALA . 68.9 mt -74.62 -35.64 38.44 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.619 0 CA-C-N 115.657 -0.701 . . . . 0.0 110.174 -178.841 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 6.4 t80 -58.91 -42.3 89.28 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 115.839 -0.619 . . . . 0.0 110.322 172.363 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 23.1 tptm -55.47 -47.71 75.68 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.291 -0.413 . . . . 0.0 110.491 176.831 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 11.0 tp10 -66.65 -42.65 86.33 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 115.832 -0.622 . . . . 0.0 110.46 -177.679 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 14' ' ' TRP . . . . . 0.623 ' HH2' ' HD3' ' A' ' 77' ' ' ARG . 67.1 t90 -63.12 -47.94 80.65 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 115.589 -0.732 . . . . 0.0 110.688 177.549 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 15' ' ' TYR . . . . . 0.53 ' CE1' ' HB1' ' A' ' 31' ' ' ALA . 37.4 t80 -61.01 -47.64 85.51 Favored 'General case' 0 C--O 1.224 -0.273 0 CA-C-N 116.496 -0.32 . . . . 0.0 111.051 178.399 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 33.2 tt0 -61.03 -28.64 69.2 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 116.432 -0.349 . . . . 0.0 110.92 -176.086 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 17' ' ' HIS . . . . . . . . . . . . . 76.7 t60 -79.18 -45.69 19.41 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.847 0.356 . . . . 0.0 110.346 176.065 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 37.8 mmtm -66.64 -25.62 66.67 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 116.287 -0.415 . . . . 0.0 111.359 -179.863 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 60.4 tttm -60.47 -24.58 65.37 Favored 'General case' 0 C--N 1.323 -0.545 0 CA-C-N 115.697 -0.683 . . . . 0.0 110.941 178.868 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 96.9 mt-30 -73.66 -24.26 59.96 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.651 178.4 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 41.9 t -99.26 -42.04 10.34 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.398 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.108 -175.565 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 22' ' ' TRP . . . . . . . . . . . . . 41.3 m0 -75.95 155.82 34.75 Favored 'General case' 0 C--N 1.323 -0.548 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.175 -177.441 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 12.5 m -69.44 145.86 52.45 Favored 'General case' 0 C--N 1.324 -0.509 0 N-CA-C 108.966 -0.753 . . . . 0.0 108.966 172.5 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 47.8 t -57.33 -45.62 85.21 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.415 0 N-CA-C 112.194 0.442 . . . . 0.0 112.194 -172.4 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -58.86 -50.16 70.47 Favored Glycine 0 N--CA 1.45 -0.415 0 C-N-CA 120.671 -0.776 . . . . 0.0 112.025 177.945 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 26' ' ' TYR . . . . . . . . . . . . . 82.5 t80 -63.08 -42.96 99.75 Favored 'General case' 0 C--N 1.326 -0.429 0 C-N-CA 122.37 0.268 . . . . 0.0 111.075 177.968 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -62.95 -48.69 77.79 Favored 'General case' 0 C--N 1.332 -0.191 0 CA-C-O 120.82 0.343 . . . . 0.0 111.052 -177.08 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 20.0 m -66.27 -36.5 83.14 Favored 'General case' 0 C--N 1.323 -0.554 0 CA-C-N 116.303 -0.408 . . . . 0.0 110.873 -178.215 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 42.1 tt0 -68.93 -46.7 67.57 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.371 -0.377 . . . . 0.0 110.485 179.385 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 30' ' ' LEU . . . . . 0.825 ' HG ' ' HE3' ' A' ' 33' ' ' MET . 10.2 tt -59.83 -41.66 91.81 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 116.048 -0.524 . . . . 0.0 109.682 177.719 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 31' ' ' ALA . . . . . 0.53 ' HB1' ' CE1' ' A' ' 15' ' ' TYR . . . -66.85 -35.56 80.32 Favored 'General case' 0 C--N 1.322 -0.622 0 CA-C-N 115.896 -0.593 . . . . 0.0 111.549 -179.485 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 32' ' ' LYS . . . . . 0.487 ' HA ' ' HB3' ' A' ' 35' ' ' ASP . 17.6 tttm -85.82 -14.47 44.97 Favored 'General case' 0 N--CA 1.449 -0.513 0 C-N-CA 119.583 -0.847 . . . . 0.0 111.933 -176.121 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 33' ' ' MET . . . . . 0.825 ' HE3' ' HG ' ' A' ' 30' ' ' LEU . 24.2 ptt? -76.28 -31.5 58.28 Favored 'General case' 0 C--N 1.328 -0.351 0 N-CA-C 108.316 -0.994 . . . . 0.0 108.316 171.23 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 34' ' ' PHE . . . . . 0.458 ' CG ' HD11 ' A' ' 38' ' ' ILE . 9.3 m-85 -66.52 -41.39 88.87 Favored 'General case' 0 C--O 1.225 -0.225 0 CA-C-N 115.739 -0.664 . . . . 0.0 109.28 168.923 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 35' ' ' ASP . . . . . 0.601 ' HA ' ' HG ' ' A' ' 39' ' ' LEU . 27.9 t70 -58.22 -72.56 0.09 Allowed 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 115.311 -0.859 . . . . 0.0 111.301 177.881 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 6.3 m-20 -63.37 -32.24 73.61 Favored 'General case' 0 N--CA 1.466 0.368 0 N-CA-C 113.406 0.891 . . . . 0.0 113.406 -171.535 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 37' ' ' ASP . . . . . 0.477 ' HB3' ' HG2' ' A' ' 61' ' ' ARG . 14.7 m-20 -102.4 -44.75 5.29 Favored 'General case' 0 C--N 1.325 -0.498 0 C-N-CA 120.539 -0.464 . . . . 0.0 112.222 -173.158 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 38' ' ' ILE . . . . . 0.527 HG12 HG11 ' A' ' 58' ' ' VAL . 20.7 mt -89.64 -34.68 6.88 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 N-CA-C 112.651 0.612 . . . . 0.0 112.651 -170.376 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 39' ' ' LEU . . . . . 0.601 ' HG ' ' HA ' ' A' ' 35' ' ' ASP . 30.1 mt -64.81 -44.58 73.24 Favored Pre-proline 0 CA--C 1.535 0.379 0 N-CA-C 112.653 0.612 . . . . 0.0 112.653 -175.312 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 40' ' ' PRO . . . . . 0.42 ' HD3' ' HB2' ' A' ' 39' ' ' LEU . 31.2 Cg_exo -62.26 -14.7 39.96 Favored 'Trans proline' 0 C--N 1.353 0.808 0 C-N-CA 121.955 1.77 . . . . 0.0 112.508 174.864 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 41' ' ' ILE . . . . . 0.73 HG23 HG22 ' A' ' 42' ' ' ILE . 50.8 mm -95.07 -65.14 1.18 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.357 0 CA-C-N 116.561 -0.291 . . . . 0.0 111.323 -177.983 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 42' ' ' ILE . . . . . 0.73 HG22 HG23 ' A' ' 41' ' ' ILE . 17.2 pt -128.93 9.39 2.7 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.234 0 N-CA-C 111.734 0.272 . . . . 0.0 111.734 -176.14 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 43' ' ' GLY . . . . . 0.454 ' HA3' ' HA ' ' A' ' 39' ' ' LEU . . . -57.67 -39.12 90.65 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.773 -0.727 . . . . 0.0 112.754 -174.627 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -97.98 16.24 60.48 Favored Glycine 0 N--CA 1.445 -0.743 0 C-N-CA 120.548 -0.834 . . . . 0.0 112.769 -177.206 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 45' ' ' LEU . . . . . 0.43 HD13 ' HA ' ' A' ' 42' ' ' ILE . 95.8 mt -96.35 149.77 21.32 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 116.88 0.34 . . . . 0.0 110.696 178.782 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 30.6 mt-10 -73.24 128.83 36.6 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-N 115.96 -0.564 . . . . 0.0 109.817 177.761 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 16.2 tt -60.82 -20.41 21.58 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.43 0 CA-C-O 120.978 0.418 . . . . 0.0 112.124 -173.314 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 69.0 mt-30 -80.77 -25.02 38.21 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 116.397 -0.365 . . . . 0.0 110.949 -179.516 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 33.2 t70 -133.07 77.86 1.76 Allowed 'General case' 0 C--N 1.324 -0.528 0 CA-C-O 121.515 0.674 . . . . 0.0 110.693 -175.535 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 50' ' ' ILE . . . . . . . . . . . . . 72.7 mt -119.65 134.31 63.63 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.673 0 CA-C-N 115.233 -0.894 . . . . 0.0 109.205 176.465 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 51' ' ' GLU . . . . . 0.707 ' HB2' ' HB2' ' A' ' 54' ' ' GLN . 42.4 mm-40 -66.35 129.04 94.15 Favored Pre-proline 0 C--N 1.325 -0.478 0 N-CA-C 110.071 -0.344 . . . . 0.0 110.071 178.56 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 52' ' ' PRO . . . . . . . . . . . . . 49.9 Cg_exo -56.47 -31.56 86.34 Favored 'Trans proline' 0 C--N 1.342 0.196 0 C-N-CA 122.635 2.223 . . . . 0.0 111.273 178.036 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 53' ' ' MET . . . . . 0.41 ' HE1' ' HB2' ' A' ' 53' ' ' MET . 37.9 ttm -79.48 -24.87 42.05 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-N 115.482 -0.781 . . . . 0.0 110.339 179.899 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 54' ' ' GLN . . . . . 0.707 ' HB2' ' HB2' ' A' ' 51' ' ' GLU . 10.0 mt-30 -78.21 -34.16 49.53 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-O 120.97 0.414 . . . . 0.0 110.228 175.283 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 55' ' ' LEU . . . . . 0.464 HD22 ' HB2' ' A' ' 99' ' ' LEU . 32.8 tp -66.88 -34.79 78.57 Favored 'General case' 0 C--N 1.324 -0.521 0 N-CA-C 108.812 -0.81 . . . . 0.0 108.812 172.835 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 56' ' ' LEU . . . . . 0.433 ' O ' ' HB2' ' A' ' 60' ' ' ARG . 2.8 tm? -68.25 -32.07 71.99 Favored 'General case' 0 N--CA 1.453 -0.321 0 CA-C-N 115.184 -0.916 . . . . 0.0 109.592 174.176 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 57' ' ' GLU . . . . . 0.426 ' OE1' HG22 ' A' ' 41' ' ' ILE . 40.7 tt0 -64.04 -34.13 77.31 Favored 'General case' 0 C--N 1.33 -0.239 0 N-CA-C 110.131 -0.322 . . . . 0.0 110.131 177.312 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 58' ' ' VAL . . . . . 0.527 HG11 HG12 ' A' ' 38' ' ' ILE . 25.4 t -61.01 -54.0 41.5 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.235 0 CA-C-O 121.17 0.509 . . . . 0.0 110.526 173.745 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 59' ' ' ILE . . . . . 0.494 HG23 ' HE1' ' A' ' 103' ' ' MET . 1.7 mp -61.83 -38.65 81.05 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 CA-C-N 115.937 -0.574 . . . . 0.0 110.25 177.5 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 60' ' ' ARG . . . . . 0.433 ' HB2' ' O ' ' A' ' 56' ' ' LEU . 0.0 OUTLIER -60.99 -39.0 88.01 Favored 'General case' 0 C--O 1.221 -0.426 0 CA-C-N 115.591 -0.731 . . . . 0.0 109.841 178.223 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 61' ' ' ARG . . . . . 0.503 ' HB3' ' O ' ' A' ' 58' ' ' VAL . 9.9 tpt180 -56.6 -48.66 76.95 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 115.627 -0.715 . . . . 0.0 111.089 177.943 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 62' ' ' PHE . . . . . . . . . . . . . 66.1 m-85 -66.73 -46.91 73.97 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 116.515 -0.311 . . . . 0.0 111.405 179.387 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 43.4 mt-10 -65.32 -29.37 70.1 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.783 0.325 . . . . 0.0 111.336 179.554 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 33.2 t70 -68.19 -33.35 74.27 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.161 178.457 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 19.8 mtm180 -82.9 -12.73 57.14 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 115.91 -0.586 . . . . 0.0 111.017 176.323 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 96.64 5.29 58.89 Favored Glycine 0 N--CA 1.448 -0.532 0 C-N-CA 120.485 -0.864 . . . . 0.0 112.222 177.875 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 67' ' ' ALA . . . . . 0.647 ' HB1' ' HB2' ' A' ' 70' ' ' ARG . . . -83.86 80.56 9.11 Favored 'General case' 0 C--N 1.323 -0.569 0 N-CA-C 109.536 -0.542 . . . . 0.0 109.536 177.457 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 68' ' ' MET . . . . . . . . . . . . . 41.9 mmm -72.17 -38.77 69.07 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-N 115.608 -0.724 . . . . 0.0 110.781 -173.664 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -75.3 -34.04 61.25 Favored 'General case' 0 C--N 1.321 -0.632 0 CA-C-N 115.742 -0.663 . . . . 0.0 110.33 -179.444 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 70' ' ' ARG . . . . . 0.647 ' HB2' ' HB1' ' A' ' 67' ' ' ALA . 66.3 mtt-85 -76.18 -21.4 56.54 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.02 177.103 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -68.38 -52.65 30.65 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-O 120.885 0.374 . . . . 0.0 110.075 175.25 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 72' ' ' ASN . . . . . . . . . . . . . 86.0 m-20 -57.89 -37.11 73.38 Favored 'General case' 0 N--CA 1.464 0.249 0 CA-C-N 115.984 -0.553 . . . . 0.0 110.321 173.708 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 73' ' ' LYS . . . . . 0.56 ' HB2' ' HA ' ' A' ' 70' ' ' ARG . 12.3 mptt -59.18 -57.6 12.32 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 115.826 -0.624 . . . . 0.0 110.469 176.332 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -50.83 -47.25 60.21 Favored 'General case' 0 N--CA 1.463 0.222 0 O-C-N 123.409 0.443 . . . . 0.0 110.93 -179.32 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 75' ' ' ARG . . . . . 0.422 ' HD2' ' HE2' ' A' ' 103' ' ' MET . 77.9 ttt180 -55.35 -51.32 67.17 Favored 'General case' 0 C--N 1.323 -0.554 0 CA-C-N 115.426 -0.806 . . . . 0.0 111.42 179.448 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 56.4 ttt-85 -71.96 -39.9 69.03 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.141 -176.873 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 77' ' ' ARG . . . . . 0.623 ' HD3' ' HH2' ' A' ' 14' ' ' TRP . 2.5 mmp_? -62.91 -40.83 98.79 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.613 -179.225 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 78' ' ' CYS . . . . . . . . . . . . . 74.1 m -64.43 -36.73 85.12 Favored 'General case' 0 C--N 1.333 -0.115 0 CA-C-N 116.587 -0.279 . . . . 0.0 110.509 177.717 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . -55.54 -39.36 74.22 Favored Glycine 0 C--N 1.333 0.396 0 C-N-CA 121.026 -0.607 . . . . 0.0 111.829 174.609 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 39.7 mt-10 -64.97 -42.1 94.87 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.479 0.18 . . . . 0.0 110.913 175.33 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 60.3 t -60.31 -43.54 93.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-O 120.958 0.408 . . . . 0.0 110.254 178.278 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 82' ' ' PHE . . . . . 0.502 ' HB3' ' HB3' ' A' ' 94' ' ' ASN . 25.5 m-85 -59.84 -48.06 83.23 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 115.781 -0.645 . . . . 0.0 110.663 177.069 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 83' ' ' ARG . . . . . 0.494 ' O ' HG23 ' A' ' 87' ' ' VAL . 43.1 ttm180 -64.59 -40.52 95.66 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.845 179.509 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 84' ' ' TYR . . . . . . . . . . . . . 18.3 t80 -57.28 -39.89 76.63 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-O 121.303 0.573 . . . . 0.0 109.708 177.719 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 85' ' ' ALA . . . . . 0.488 ' HB3' HG21 ' A' ' 10' ' ' ILE . . . -69.37 -39.18 78.22 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 115.511 -0.768 . . . . 0.0 111.354 177.826 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 86' ' ' ILE . . . . . 0.483 HG13 ' O ' ' A' ' 82' ' ' PHE . 87.1 mt -62.7 -46.36 96.55 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.529 0 CA-C-O 120.787 0.327 . . . . 0.0 110.375 178.565 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 87' ' ' VAL . . . . . 0.494 HG23 ' O ' ' A' ' 83' ' ' ARG . 59.9 t -63.03 -39.74 86.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.154 -0.476 . . . . 0.0 111.157 -179.997 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 88' ' ' THR . . . . . . . . . . . . . 23.7 p -80.99 -0.45 39.62 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 116.307 -0.406 . . . . 0.0 111.73 -177.556 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . 71.16 34.52 64.46 Favored Glycine 0 C--N 1.33 0.214 0 C-N-CA 120.831 -0.7 . . . . 0.0 112.243 179.926 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 90' ' ' ARG . . . . . 0.45 ' HA ' ' HE ' ' A' ' 90' ' ' ARG . 1.7 mmp_? -110.91 -13.44 14.12 Favored 'General case' 0 C--N 1.32 -0.691 0 CA-C-O 120.823 0.344 . . . . 0.0 110.758 -179.816 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . -145.9 154.97 42.55 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.604 -0.271 . . . . 0.0 110.493 177.836 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 63.0 mttp -97.62 -36.57 10.23 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.641 -0.254 . . . . 0.0 111.64 -179.389 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 93' ' ' TYR . . . . . . . . . . . . . 12.2 p90 -147.19 173.09 12.86 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-O 120.656 0.265 . . . . 0.0 110.866 -174.443 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 94' ' ' ASN . . . . . 0.502 ' HB3' ' HB3' ' A' ' 82' ' ' PHE . 7.4 p30 -119.99 130.93 24.6 Favored Pre-proline 0 C--N 1.326 -0.423 0 CA-C-N 116.269 -0.423 . . . . 0.0 109.981 176.053 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 95' ' ' PRO . . . . . 0.448 ' HD3' ' HA ' ' A' ' 94' ' ' ASN . 4.2 Cg_exo -75.94 26.36 0.41 Allowed 'Trans proline' 0 CA--C 1.53 0.281 0 C-N-CA 123.178 2.585 . . . . 0.0 112.661 179.544 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 96' ' ' ALA . . . . . 0.569 ' N ' ' HD2' ' A' ' 97' ' ' PRO . . . -65.0 -46.35 74.26 Favored Pre-proline 0 CA--C 1.537 0.461 0 N-CA-C 112.482 0.549 . . . . 0.0 112.482 -178.116 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 97' ' ' PRO . . . . . 0.569 ' HD2' ' N ' ' A' ' 96' ' ' ALA . 11.5 Cg_endo -56.0 -42.5 66.12 Favored 'Trans proline' 0 C--N 1.355 0.878 0 C-N-CA 122.109 1.872 . . . . 0.0 112.263 175.616 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 26.8 m-20 -70.97 -32.97 69.98 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.379 179.891 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 99' ' ' LEU . . . . . 0.464 ' HB2' HD22 ' A' ' 55' ' ' LEU . 2.5 tm? -58.63 -46.57 86.8 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 115.654 -0.703 . . . . 0.0 110.189 176.348 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 100' ' ' ALA . . . . . . . . . . . . . . . -68.39 -33.46 74.28 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.823 179.915 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 35.3 t70 -68.0 -46.57 70.9 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 115.789 -0.641 . . . . 0.0 110.878 -179.328 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -66.13 -36.61 83.59 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-N 115.952 -0.567 . . . . 0.0 110.872 178.603 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 103' ' ' MET . . . . . 0.494 ' HE1' HG23 ' A' ' 59' ' ' ILE . 47.4 ttm -64.26 -31.31 72.46 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 115.858 -0.61 . . . . 0.0 110.612 178.758 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 104' ' ' LYS . . . . . 0.502 ' HZ3' ' HB3' ' A' ' 104' ' ' LYS . 6.8 ttpm? . . . . . 0 C--N 1.327 -0.392 0 CA-C-N 115.702 -0.681 . . . . 0.0 111.101 -177.325 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 45.8 m-80 . . . . . 0 CA--C 1.517 -0.296 0 CA-C-O 120.57 0.224 . . . . 0.0 110.665 . . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 12.3 t -66.11 139.45 58.16 Favored 'General case' 0 N--CA 1.449 -0.511 0 N-CA-C 109.495 -0.557 . . . . 0.0 109.495 -179.438 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 7' ' ' PHE . . . . . . . . . . . . . 31.8 t80 -57.38 -37.56 72.85 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 115.931 -0.577 . . . . 0.0 110.855 -176.545 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 13.4 p -61.61 -39.47 91.34 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.523 -0.308 . . . . 0.0 111.416 179.818 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -65.39 -51.43 60.45 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.132 -0.485 . . . . 0.0 111.039 -178.133 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 10' ' ' ILE . . . . . 0.532 HG12 HH11 ' A' ' 90' ' ' ARG . 52.9 mt -69.1 -34.38 63.33 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.437 0 CA-C-N 115.915 -0.584 . . . . 0.0 110.675 -178.566 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 29.1 t80 -60.63 -39.08 86.92 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.016 -0.538 . . . . 0.0 110.635 175.101 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 23.8 tptm -62.53 -46.31 88.96 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.322 -0.399 . . . . 0.0 110.302 179.576 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 45.0 mt-10 -59.47 -49.05 79.28 Favored 'General case' 0 C--O 1.234 0.242 0 CA-C-O 121.171 0.51 . . . . 0.0 110.442 177.447 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 14' ' ' TRP . . . . . . . . . . . . . 57.4 t90 -58.56 -52.28 66.34 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 115.252 -0.886 . . . . 0.0 111.37 -179.718 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 15' ' ' TYR . . . . . 0.443 ' CE1' ' HB1' ' A' ' 31' ' ' ALA . 39.6 t80 -63.69 -51.24 65.94 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.42 -0.354 . . . . 0.0 111.584 -177.997 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -58.89 -38.07 78.02 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.994 0.426 . . . . 0.0 110.765 -175.376 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 17' ' ' HIS . . . . . . . . . . . . . 51.5 t60 -70.24 -53.2 18.0 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 116.029 -0.532 . . . . 0.0 111.312 179.91 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 47.1 mtpt -80.4 -1.6 42.05 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-O 120.749 0.309 . . . . 0.0 111.64 -175.003 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 35.1 ttpt -65.0 -24.59 67.55 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-O 121.138 0.494 . . . . 0.0 109.942 172.702 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 83.0 mt-30 -78.02 -20.54 52.31 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 115.938 -0.574 . . . . 0.0 110.161 177.004 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 35.7 t -87.65 -42.1 14.9 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 CA-C-N 115.686 -0.688 . . . . 0.0 110.904 -174.802 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 22' ' ' TRP . . . . . . . . . . . . . 16.0 m0 -90.55 165.19 13.9 Favored 'General case' 0 C--N 1.32 -0.697 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.633 -178.582 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 12.9 m -68.85 142.63 54.78 Favored 'General case' 0 C--N 1.323 -0.561 0 N-CA-C 108.748 -0.834 . . . . 0.0 108.748 171.18 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 7.3 p -61.83 -31.24 50.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 C-N-CA 121.001 -0.279 . . . . 0.0 111.316 -173.779 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -64.2 -47.04 88.99 Favored Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.751 -0.738 . . . . 0.0 111.645 176.402 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 26' ' ' TYR . . . . . . . . . . . . . 89.7 t80 -67.5 -43.68 80.32 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-O 120.748 0.309 . . . . 0.0 110.391 178.437 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -60.6 -45.7 93.02 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 115.952 -0.567 . . . . 0.0 111.187 -178.498 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 24.7 m -69.34 -37.05 77.51 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-N 116.533 -0.303 . . . . 0.0 111.11 -178.834 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 35.1 tt0 -64.87 -46.9 79.88 Favored 'General case' 0 C--O 1.232 0.161 0 CA-C-O 120.908 0.385 . . . . 0.0 110.181 177.564 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 10.2 tt -60.97 -47.94 84.11 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 115.813 -0.63 . . . . 0.0 110.175 179.594 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 31' ' ' ALA . . . . . 0.443 ' HB1' ' CE1' ' A' ' 15' ' ' TYR . . . -65.93 -38.78 89.56 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 115.902 -0.59 . . . . 0.0 111.621 -178.212 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 32' ' ' LYS . . . . . 0.494 ' HA ' ' HD2' ' A' ' 32' ' ' LYS . 17.2 tptt -67.04 -44.17 80.9 Favored 'General case' 0 C--N 1.33 -0.273 0 C-N-CA 120.792 -0.363 . . . . 0.0 110.38 -177.898 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 33' ' ' MET . . . . . . . . . . . . . 48.1 ttp -62.39 -40.06 95.25 Favored 'General case' 0 C--N 1.322 -0.592 0 CA-C-N 115.931 -0.577 . . . . 0.0 109.874 176.943 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 34' ' ' PHE . . . . . 0.403 ' O ' ' HB ' ' A' ' 38' ' ' ILE . 6.6 t80 -62.38 -49.96 73.46 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 115.321 -0.854 . . . . 0.0 110.637 -179.311 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 35' ' ' ASP . . . . . 0.531 ' HA ' ' HB2' ' A' ' 39' ' ' LEU . 0.9 OUTLIER -72.45 -41.83 65.69 Favored 'General case' 0 C--N 1.33 -0.261 0 C-N-CA 120.149 -0.621 . . . . 0.0 110.775 -177.581 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 37.4 t70 -64.02 -28.22 69.65 Favored 'General case' 0 C--N 1.328 -0.334 0 N-CA-C 112.202 0.445 . . . . 0.0 112.202 -173.468 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 37' ' ' ASP . . . . . 0.512 ' HB3' ' HG2' ' A' ' 61' ' ' ARG . 33.7 m-20 -113.79 -47.72 2.96 Favored 'General case' 0 C--N 1.323 -0.558 0 N-CA-C 112.307 0.484 . . . . 0.0 112.307 179.913 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 38' ' ' ILE . . . . . 0.52 HG12 HG12 ' A' ' 58' ' ' VAL . 16.9 mt -81.69 -29.05 10.12 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.532 0 N-CA-C 112.326 0.491 . . . . 0.0 112.326 -169.888 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 39' ' ' LEU . . . . . 0.531 ' HB2' ' HA ' ' A' ' 35' ' ' ASP . 0.3 OUTLIER -64.15 -49.33 74.1 Favored Pre-proline 0 CA--C 1.537 0.474 0 C-N-CA 120.714 -0.394 . . . . 0.0 111.53 -174.906 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 27.8 Cg_exo -63.78 -11.32 26.1 Favored 'Trans proline' 0 C--N 1.352 0.738 0 C-N-CA 121.966 1.777 . . . . 0.0 112.682 177.954 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 41' ' ' ILE . . . . . 0.548 HG23 HG22 ' A' ' 42' ' ' ILE . 43.2 mm -92.91 -57.35 4.4 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.615 -0.266 . . . . 0.0 111.363 -177.695 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 42' ' ' ILE . . . . . 0.548 HG22 HG23 ' A' ' 41' ' ' ILE . 12.4 pt -130.43 5.17 2.17 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.202 0 N-CA-C 112.605 0.594 . . . . 0.0 112.605 -175.343 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -57.54 -36.41 77.6 Favored Glycine 0 CA--C 1.519 0.295 0 C-N-CA 120.825 -0.703 . . . . 0.0 113.206 -174.381 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -96.62 12.99 65.91 Favored Glycine 0 N--CA 1.45 -0.417 0 C-N-CA 120.492 -0.861 . . . . 0.0 112.973 -177.921 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 96.7 mt -96.81 156.7 16.24 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 116.954 0.377 . . . . 0.0 110.836 -178.885 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 7.7 mm-40 -73.24 129.03 37.16 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-N 115.701 -0.681 . . . . 0.0 109.467 174.9 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 47' ' ' ILE . . . . . 0.469 HD13 ' HB2' ' A' ' 85' ' ' ALA . 13.8 tt -65.17 -18.12 23.21 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.599 0 CA-C-O 121.315 0.579 . . . . 0.0 110.693 -177.991 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 96.7 mt-30 -81.56 -16.33 52.01 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 115.78 -0.646 . . . . 0.0 110.775 177.854 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 25.9 t70 -144.22 81.98 1.69 Allowed 'General case' 0 C--N 1.327 -0.397 0 CA-C-O 121.24 0.543 . . . . 0.0 111.244 -176.722 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 50' ' ' ILE . . . . . . . . . . . . . 72.5 mt -118.91 130.38 73.81 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.646 0 CA-C-N 115.53 -0.759 . . . . 0.0 109.316 174.098 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 51' ' ' GLU . . . . . 0.776 ' HB2' ' HB2' ' A' ' 54' ' ' GLN . 9.8 mt-10 -66.79 144.0 98.35 Favored Pre-proline 0 C--N 1.326 -0.429 0 CA-C-N 116.338 -0.392 . . . . 0.0 110.482 -176.063 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 52' ' ' PRO . . . . . . . . . . . . . 31.6 Cg_exo -58.92 -41.26 63.87 Favored 'Trans proline' 0 C--N 1.34 0.103 0 C-N-CA 122.234 1.956 . . . . 0.0 111.529 178.105 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 53' ' ' MET . . . . . 0.492 ' HA ' ' HB3' ' A' ' 56' ' ' LEU . 66.7 mtt -80.52 -8.33 59.54 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.66 -179.98 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 54' ' ' GLN . . . . . 0.776 ' HB2' ' HB2' ' A' ' 51' ' ' GLU . 41.4 tp60 -83.92 -46.81 11.7 Favored 'General case' 0 C--N 1.326 -0.421 0 N-CA-C 108.855 -0.795 . . . . 0.0 108.855 176.76 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 26.6 tp -67.01 -30.82 71.03 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 115.446 -0.797 . . . . 0.0 109.047 173.843 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 56' ' ' LEU . . . . . 0.492 ' HB3' ' HA ' ' A' ' 53' ' ' MET . 2.0 tm? -67.06 -32.65 73.97 Favored 'General case' 0 C--O 1.223 -0.34 0 CA-C-N 115.683 -0.689 . . . . 0.0 109.583 174.282 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 57' ' ' GLU . . . . . 0.444 ' HG2' HD11 ' A' ' 41' ' ' ILE . 36.3 tt0 -61.97 -35.21 77.8 Favored 'General case' 0 C--N 1.328 -0.33 0 N-CA-C 109.971 -0.381 . . . . 0.0 109.971 175.966 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 58' ' ' VAL . . . . . 0.565 ' O ' ' HB3' ' A' ' 61' ' ' ARG . 85.5 t -61.35 -56.67 16.31 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.393 0 CA-C-O 121.098 0.475 . . . . 0.0 110.919 172.835 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 59' ' ' ILE . . . . . 0.514 HG22 ' HE3' ' A' ' 103' ' ' MET . 1.8 mp -56.39 -45.23 81.59 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.408 0 CA-C-N 116.022 -0.536 . . . . 0.0 110.327 178.765 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 43.4 ttt-85 -64.59 -34.87 79.27 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 115.539 -0.755 . . . . 0.0 110.702 -179.442 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 61' ' ' ARG . . . . . 0.565 ' HB3' ' O ' ' A' ' 58' ' ' VAL . 8.8 tpt180 -52.39 -43.33 64.67 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 115.82 -0.627 . . . . 0.0 110.195 175.349 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 62' ' ' PHE . . . . . . . . . . . . . 91.7 m-85 -79.33 -40.38 30.45 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 115.955 -0.566 . . . . 0.0 111.457 177.848 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 35.5 mt-10 -60.31 -36.08 77.08 Favored 'General case' 0 N--CA 1.466 0.344 0 N-CA-C 111.741 0.274 . . . . 0.0 111.741 179.947 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 29.1 t70 -60.02 -28.74 67.99 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 116.021 -0.536 . . . . 0.0 111.018 -179.475 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 41.4 mtm-85 -99.8 -3.17 33.28 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.037 -179.728 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 92.54 1.5 68.55 Favored Glycine 0 N--CA 1.45 -0.429 0 C-N-CA 120.561 -0.828 . . . . 0.0 113.225 174.028 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -77.71 85.87 4.01 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-O 121.052 0.453 . . . . 0.0 110.142 179.155 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 68' ' ' MET . . . . . 0.618 ' HA ' ' HE3' ' A' ' 68' ' ' MET . 0.0 OUTLIER -70.71 -45.0 65.73 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-N 115.926 -0.579 . . . . 0.0 110.826 -174.382 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 49.9 mt-10 -60.48 -47.39 86.36 Favored 'General case' 0 CA--C 1.516 -0.359 0 CA-C-O 120.995 0.426 . . . . 0.0 110.499 179.224 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 70' ' ' ARG . . . . . 0.511 ' HA ' ' HB2' ' A' ' 73' ' ' LYS . 62.5 mtt85 -74.78 -18.85 60.41 Favored 'General case' 0 C--N 1.323 -0.57 0 CA-C-N 115.783 -0.644 . . . . 0.0 111.883 -174.06 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -70.13 -42.96 71.93 Favored 'General case' 0 C--N 1.327 -0.41 0 N-CA-C 109.387 -0.598 . . . . 0.0 109.387 170.386 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 72' ' ' ASN . . . . . . . . . . . . . 57.3 t30 -71.17 -39.19 72.04 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 115.448 -0.796 . . . . 0.0 110.252 177.44 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 73' ' ' LYS . . . . . 0.511 ' HB2' ' HA ' ' A' ' 70' ' ' ARG . 67.8 mttm -56.88 -41.65 78.4 Favored 'General case' 0 CA--C 1.519 -0.235 0 CA-C-N 115.994 -0.548 . . . . 0.0 110.576 175.829 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -59.49 -49.75 76.57 Favored 'General case' 0 N--CA 1.453 -0.302 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.285 177.955 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 75' ' ' ARG . . . . . 0.411 ' NH2' ' HB1' ' A' ' 100' ' ' ALA . 41.9 ttt180 -57.45 -48.24 79.69 Favored 'General case' 0 CA--C 1.532 0.259 0 CA-C-O 120.871 0.367 . . . . 0.0 110.824 177.36 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 85.3 mtt180 -65.21 -46.01 82.42 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.099 -0.5 . . . . 0.0 112.239 -177.373 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 77' ' ' ARG . . . . . 0.459 ' O ' HG21 ' A' ' 81' ' ' VAL . 26.7 mmt180 -73.21 -39.14 65.76 Favored 'General case' 0 C--N 1.326 -0.424 0 N-CA-C 111.654 0.242 . . . . 0.0 111.654 -177.093 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 78' ' ' CYS . . . . . . . . . . . . . 78.5 m -62.73 -41.44 99.17 Favored 'General case' 0 C--N 1.328 -0.35 0 N-CA-C 109.49 -0.559 . . . . 0.0 109.49 174.833 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . -63.1 -26.7 69.46 Favored Glycine 0 N--CA 1.452 -0.258 0 C-N-CA 121.16 -0.543 . . . . 0.0 112.209 176.991 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 31.8 tt0 -75.51 -33.69 60.76 Favored 'General case' 0 C--N 1.326 -0.413 0 N-CA-C 109.549 -0.538 . . . . 0.0 109.549 176.693 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 81' ' ' VAL . . . . . 0.459 HG21 ' O ' ' A' ' 77' ' ' ARG . 61.1 t -66.76 -43.0 90.2 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.23 0 CA-C-N 115.895 -0.593 . . . . 0.0 109.944 173.822 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 82' ' ' PHE . . . . . 0.497 ' O ' HG13 ' A' ' 86' ' ' ILE . 58.3 m-85 -59.19 -42.99 92.19 Favored 'General case' 0 C--O 1.231 0.086 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.254 174.813 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 83' ' ' ARG . . . . . 0.434 ' O ' HG23 ' A' ' 87' ' ' VAL . 34.6 ttt-85 -58.16 -47.48 83.24 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-N 116.361 -0.381 . . . . 0.0 110.305 176.586 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 84' ' ' TYR . . . . . . . . . . . . . 82.7 t80 -59.94 -37.91 80.9 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 115.981 -0.554 . . . . 0.0 110.26 178.519 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 85' ' ' ALA . . . . . 0.486 ' HA ' HG23 ' A' ' 88' ' ' THR . . . -64.26 -35.0 79.4 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.98 177.357 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 86' ' ' ILE . . . . . 0.497 HG13 ' O ' ' A' ' 82' ' ' PHE . 67.9 mt -68.85 -46.16 79.65 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.52 0 N-CA-C 109.84 -0.43 . . . . 0.0 109.84 175.528 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 87' ' ' VAL . . . . . 0.434 HG23 ' O ' ' A' ' 83' ' ' ARG . 82.0 t -62.45 -36.35 74.39 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.248 0 CA-C-N 115.885 -0.598 . . . . 0.0 111.317 -179.607 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 88' ' ' THR . . . . . 0.486 HG23 ' HA ' ' A' ' 85' ' ' ALA . 6.1 t -82.34 -3.77 56.02 Favored 'General case' 0 CA--C 1.535 0.385 0 CA-C-O 121.067 0.461 . . . . 0.0 110.609 179.901 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . 79.84 42.53 11.04 Favored Glycine 0 N--CA 1.452 -0.263 0 C-N-CA 121.023 -0.608 . . . . 0.0 113.23 174.941 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 90' ' ' ARG . . . . . 0.532 HH11 HG12 ' A' ' 10' ' ' ILE . 82.1 mtt180 -120.64 -40.92 2.61 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-O 120.787 0.327 . . . . 0.0 111.063 177.125 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . -106.05 165.96 10.84 Favored 'General case' 0 C--N 1.325 -0.5 0 CA-C-N 116.563 -0.29 . . . . 0.0 110.807 -179.124 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 63.3 mttm -108.63 -46.25 3.7 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 116.303 -0.408 . . . . 0.0 111.255 -179.578 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 93' ' ' TYR . . . . . . . . . . . . . 53.5 p90 -145.63 166.59 25.33 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.06 -178.592 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 94' ' ' ASN . . . . . 0.427 ' O ' ' HD2' ' A' ' 97' ' ' PRO . 1.4 m-80 -95.52 131.29 29.87 Favored Pre-proline 0 C--N 1.323 -0.579 0 N-CA-C 108.99 -0.744 . . . . 0.0 108.99 177.666 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 95' ' ' PRO . . . . . . . . . . . . . 74.2 Cg_endo -76.67 17.85 0.76 Allowed 'Trans proline' 0 N--CA 1.464 -0.206 0 C-N-CA 122.439 2.093 . . . . 0.0 112.049 177.828 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 96' ' ' ALA . . . . . 0.526 ' N ' ' HD2' ' A' ' 97' ' ' PRO . . . -57.64 -49.11 95.66 Favored Pre-proline 0 CA--C 1.536 0.406 0 CA-C-N 115.882 -0.599 . . . . 0.0 112.003 179.607 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 97' ' ' PRO . . . . . 0.526 ' HD2' ' N ' ' A' ' 96' ' ' ALA . 11.5 Cg_endo -56.38 -42.54 64.78 Favored 'Trans proline' 0 C--N 1.356 0.95 0 C-N-CA 122.228 1.952 . . . . 0.0 112.591 175.88 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 1.1 t70 -71.54 -33.33 69.06 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-O 121.245 0.545 . . . . 0.0 110.045 -178.27 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 99' ' ' LEU . . . . . . . . . . . . . 3.1 tm? -59.07 -40.09 84.11 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 115.446 -0.797 . . . . 0.0 109.675 173.392 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 100' ' ' ALA . . . . . 0.429 ' O ' ' HB2' ' A' ' 104' ' ' LYS . . . -65.57 -34.43 78.21 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 115.741 -0.663 . . . . 0.0 110.627 179.384 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -75.75 -32.34 59.93 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.392 -0.367 . . . . 0.0 111.563 178.791 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -63.1 -51.54 66.19 Favored 'General case' 0 C--N 1.327 -0.395 0 N-CA-C 109.819 -0.437 . . . . 0.0 109.819 174.721 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 103' ' ' MET . . . . . 0.514 ' HE3' HG22 ' A' ' 59' ' ' ILE . 32.2 ttm -59.77 -33.81 72.17 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 115.527 -0.76 . . . . 0.0 110.668 175.06 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 104' ' ' LYS . . . . . 0.429 ' HB2' ' O ' ' A' ' 100' ' ' ALA . 86.1 tttt . . . . . 0 C--N 1.327 -0.403 0 CA-C-N 115.147 -0.933 . . . . 0.0 110.972 -179.291 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 47.9 t30 . . . . . 0 N--CA 1.465 0.287 0 CA-C-O 121.523 0.677 . . . . 0.0 110.027 . . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 5.9 m -66.11 141.59 58.06 Favored 'General case' 0 C--O 1.238 0.461 0 CA-C-N 115.336 -0.847 . . . . 0.0 110.763 -178.858 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 7' ' ' PHE . . . . . 0.427 ' HE1' ' CZ ' ' A' ' 34' ' ' PHE . 19.7 t80 -55.33 -48.07 74.71 Favored 'General case' 0 C--N 1.324 -0.539 0 CA-C-N 115.727 -0.669 . . . . 0.0 110.782 -178.963 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 8' ' ' SER . . . . . 0.528 ' HA ' ' HB3' ' A' ' 11' ' ' TYR . 49.7 m -60.68 -31.44 70.68 Favored 'General case' 0 N--CA 1.462 0.159 0 N-CA-C 112.29 0.478 . . . . 0.0 112.29 -178.917 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -65.56 -49.83 67.41 Favored 'General case' 0 C--O 1.236 0.386 0 CA-C-O 121.197 0.522 . . . . 0.0 110.284 -179.629 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 10' ' ' ILE . . . . . 0.453 HD13 HG21 ' A' ' 47' ' ' ILE . 60.4 mt -70.81 -34.59 56.84 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.433 0 CA-C-N 115.712 -0.676 . . . . 0.0 110.086 177.811 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 11' ' ' TYR . . . . . 0.528 ' HB3' ' HA ' ' A' ' 8' ' ' SER . 2.9 t80 -54.7 -44.69 73.64 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 115.987 -0.551 . . . . 0.0 111.182 175.716 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 79.1 tttt -66.09 -45.68 80.36 Favored 'General case' 0 C--N 1.328 -0.333 0 C-N-CA 120.875 -0.33 . . . . 0.0 110.792 -179.954 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 30.6 tt0 -61.2 -45.04 96.22 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-O 121.18 0.514 . . . . 0.0 109.764 179.215 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 14' ' ' TRP . . . . . 0.424 ' CZ2' ' HH2' ' A' ' 22' ' ' TRP . 57.3 t90 -57.75 -50.39 73.4 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 115.086 -0.961 . . . . 0.0 110.775 176.308 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 15' ' ' TYR . . . . . . . . . . . . . 22.1 t80 -57.85 -51.13 70.87 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 115.544 -0.753 . . . . 0.0 111.557 179.613 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 42.2 tt0 -65.8 -31.84 73.03 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-O 121.017 0.437 . . . . 0.0 110.968 -176.558 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 17' ' ' HIS . . . . . . . . . . . . . 86.0 t60 -75.05 -51.55 13.26 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.86 179.457 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 6.8 mmmm -75.86 -7.49 54.62 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.448 -0.342 . . . . 0.0 111.223 -177.066 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 56.4 tttm -60.32 -27.9 67.71 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.043 -0.526 . . . . 0.0 110.65 174.048 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 17.6 mt-30 -74.77 -19.94 60.01 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 115.964 -0.562 . . . . 0.0 110.267 179.334 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 39.2 t -91.26 -40.47 12.55 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.518 0 CA-C-N 115.894 -0.593 . . . . 0.0 110.659 -176.612 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 22' ' ' TRP . . . . . 0.424 ' HH2' ' CZ2' ' A' ' 14' ' ' TRP . 9.3 m0 -91.47 -179.85 5.49 Favored 'General case' 0 C--N 1.322 -0.607 0 CA-C-O 121.215 0.531 . . . . 0.0 110.846 -179.149 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 10.4 m -87.27 147.4 25.55 Favored 'General case' 0 C--N 1.322 -0.596 0 N-CA-C 108.915 -0.772 . . . . 0.0 108.915 173.081 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 13.7 p -60.54 -43.49 94.58 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.359 0 N-CA-C 112.023 0.379 . . . . 0.0 112.023 -172.108 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -66.26 -45.42 86.52 Favored Glycine 0 N--CA 1.452 -0.237 0 C-N-CA 120.761 -0.733 . . . . 0.0 111.775 -179.902 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 26' ' ' TYR . . . . . . . . . . . . . 86.8 t80 -58.58 -46.81 86.14 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-O 120.791 0.329 . . . . 0.0 110.327 176.793 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -62.73 -36.64 83.65 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.022 -0.535 . . . . 0.0 111.012 -179.791 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 75.7 m -64.16 -49.33 72.52 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.402 -0.363 . . . . 0.0 111.054 179.063 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 25.2 mt-10 -68.43 -31.21 70.36 Favored 'General case' 0 C--N 1.329 -0.284 0 C-N-CA 120.926 -0.309 . . . . 0.0 110.917 -179.606 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 14.3 tp -63.6 -53.37 52.69 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.202 -0.454 . . . . 0.0 109.984 174.109 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -62.62 -42.99 99.9 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 115.464 -0.789 . . . . 0.0 111.301 -178.179 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 61.7 tttp -60.76 -43.53 97.89 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.559 -0.291 . . . . 0.0 110.998 179.803 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 33' ' ' MET . . . . . 0.47 ' SD ' ' HD3' ' A' ' 70' ' ' ARG . 53.0 ttp -63.02 -45.53 91.89 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-O 121.346 0.593 . . . . 0.0 110.061 177.796 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 34' ' ' PHE . . . . . 0.548 ' O ' ' HB ' ' A' ' 38' ' ' ILE . 4.9 t80 -60.65 -33.04 72.22 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-N 115.399 -0.819 . . . . 0.0 110.0 178.8 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 35' ' ' ASP . . . . . 0.728 ' O ' ' HB2' ' A' ' 39' ' ' LEU . 14.2 t70 -79.43 -59.24 2.83 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 116.113 -0.494 . . . . 0.0 111.439 -178.526 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 27.5 m-20 -67.58 -14.1 62.64 Favored 'General case' 0 C--N 1.327 -0.384 0 N-CA-C 112.632 0.604 . . . . 0.0 112.632 -173.067 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 -110.3 -47.71 3.26 Favored 'General case' 0 C--N 1.323 -0.559 0 N-CA-C 112.115 0.413 . . . . 0.0 112.115 179.945 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 38' ' ' ILE . . . . . 0.548 ' HB ' ' O ' ' A' ' 34' ' ' PHE . 16.2 mt -91.41 -30.58 4.79 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.414 0 N-CA-C 112.464 0.542 . . . . 0.0 112.464 -170.387 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 39' ' ' LEU . . . . . 0.728 ' HB2' ' O ' ' A' ' 35' ' ' ASP . 0.4 OUTLIER -58.61 -48.25 97.24 Favored Pre-proline 0 N--CA 1.469 0.509 0 N-CA-C 112.728 0.64 . . . . 0.0 112.728 -177.002 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 18.7 Cg_exo -68.44 4.36 1.7 Allowed 'Trans proline' 0 C--N 1.355 0.902 0 C-N-CA 122.168 1.912 . . . . 0.0 112.809 179.045 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 32.9 mm -110.74 -60.59 2.81 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 CA-C-O 120.615 0.245 . . . . 0.0 111.242 -179.816 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 42' ' ' ILE . . . . . 0.48 ' HA ' HD13 ' A' ' 45' ' ' LEU . 27.7 pt -125.24 16.23 4.34 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.197 0 N-CA-C 112.425 0.528 . . . . 0.0 112.425 -174.033 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 43' ' ' GLY . . . . . 0.458 ' HA3' HD12 ' A' ' 39' ' ' LEU . . . -52.07 -53.15 31.96 Favored Glycine 0 CA--C 1.521 0.412 0 C-N-CA 120.947 -0.644 . . . . 0.0 113.433 -175.274 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -94.24 18.63 56.48 Favored Glycine 0 N--CA 1.448 -0.5 0 C-N-CA 120.703 -0.76 . . . . 0.0 113.404 -176.171 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 45' ' ' LEU . . . . . 0.48 HD13 ' HA ' ' A' ' 42' ' ' ILE . 85.8 mt -92.73 150.86 20.38 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 117.38 0.59 . . . . 0.0 110.24 179.088 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 46' ' ' GLU . . . . . 0.455 ' O ' HG13 ' A' ' 50' ' ' ILE . 44.3 mt-10 -69.64 131.95 45.42 Favored 'General case' 0 CA--C 1.513 -0.453 0 N-CA-C 109.914 -0.402 . . . . 0.0 109.914 176.986 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 47' ' ' ILE . . . . . 0.453 HG21 HD13 ' A' ' 10' ' ' ILE . 15.1 tt -64.45 -16.45 19.36 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.766 0 CA-C-O 121.21 0.529 . . . . 0.0 111.2 -177.05 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 52.8 tt0 -99.12 -10.8 22.07 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-N 115.978 -0.556 . . . . 0.0 110.578 -179.437 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 36.7 t70 -140.0 85.02 2.0 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-O 121.215 0.531 . . . . 0.0 110.52 -178.184 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 50' ' ' ILE . . . . . 0.455 HG13 ' O ' ' A' ' 46' ' ' GLU . 71.6 mt -124.01 129.21 74.33 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.669 0 CA-C-N 115.9 -0.591 . . . . 0.0 109.958 178.112 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 46.2 mm-40 -66.6 135.82 94.63 Favored Pre-proline 0 C--N 1.325 -0.478 0 CA-C-N 115.764 -0.653 . . . . 0.0 110.261 178.453 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 52' ' ' PRO . . . . . . . . . . . . . 52.0 Cg_exo -54.0 -32.83 70.3 Favored 'Trans proline' 0 C--N 1.344 0.294 0 C-N-CA 122.813 2.342 . . . . 0.0 111.815 178.342 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 53' ' ' MET . . . . . . . . . . . . . 82.9 mtp -59.56 -43.2 93.64 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 115.747 -0.66 . . . . 0.0 110.331 178.283 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 54' ' ' GLN . . . . . 0.464 ' HB3' HG23 ' A' ' 42' ' ' ILE . 7.8 mp0 -73.57 -43.09 60.67 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 115.835 -0.62 . . . . 0.0 111.572 -177.475 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 55' ' ' LEU . . . . . 0.47 HD22 ' HB2' ' A' ' 99' ' ' LEU . 22.6 tp -65.25 -37.97 88.89 Favored 'General case' 0 C--N 1.324 -0.542 0 CA-C-O 121.42 0.629 . . . . 0.0 109.765 -179.991 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 3.2 tp -69.21 -33.51 73.42 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 115.871 -0.604 . . . . 0.0 109.539 176.064 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 12.2 tp10 -62.34 -29.9 70.79 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.068 177.711 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 58' ' ' VAL . . . . . 0.549 ' O ' ' HB3' ' A' ' 61' ' ' ARG . 52.2 t -64.66 -55.76 19.53 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.178 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.412 173.771 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 59' ' ' ILE . . . . . 0.496 HG21 ' HE2' ' A' ' 103' ' ' MET . 1.8 mp -59.52 -39.1 78.42 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.363 0 CA-C-O 121.11 0.481 . . . . 0.0 109.905 177.162 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 13.3 tpt180 -65.9 -27.16 67.99 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 115.617 -0.72 . . . . 0.0 110.694 179.056 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 61' ' ' ARG . . . . . 0.549 ' HB3' ' O ' ' A' ' 58' ' ' VAL . 3.4 tpm_? -63.61 -41.4 98.3 Favored 'General case' 0 C--N 1.327 -0.384 0 N-CA-C 109.62 -0.511 . . . . 0.0 109.62 175.683 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 62' ' ' PHE . . . . . . . . . . . . . 96.4 m-85 -75.78 -31.85 59.67 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 115.676 -0.693 . . . . 0.0 111.157 177.23 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 63' ' ' GLU . . . . . 0.474 ' HG2' ' HE1' ' A' ' 68' ' ' MET . 37.5 mt-10 -68.09 -29.61 68.59 Favored 'General case' 0 N--CA 1.463 0.181 0 CA-C-O 121.001 0.429 . . . . 0.0 110.07 174.581 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 64' ' ' ASP . . . . . 0.528 ' HB3' ' O ' ' A' ' 61' ' ' ARG . 8.8 t70 -59.35 -45.01 92.57 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 115.504 -0.771 . . . . 0.0 109.788 172.772 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 47.7 mtp180 -69.68 -30.12 67.71 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 115.275 -0.875 . . . . 0.0 110.489 177.157 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 100.56 -0.39 55.54 Favored Glycine 0 N--CA 1.449 -0.486 0 CA-C-N 115.814 -0.63 . . . . 0.0 111.939 179.186 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -82.71 94.23 7.55 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-O 120.799 0.333 . . . . 0.0 110.871 -177.787 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 68' ' ' MET . . . . . 0.879 ' HA ' ' HE3' ' A' ' 68' ' ' MET . 7.1 mmt -65.9 -37.85 87.19 Favored 'General case' 0 C--N 1.324 -0.528 0 CA-C-N 116.028 -0.533 . . . . 0.0 110.176 -179.715 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 38.4 mt-10 -61.64 -46.86 87.99 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 115.459 -0.792 . . . . 0.0 110.576 179.45 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 70' ' ' ARG . . . . . 0.47 ' HD3' ' SD ' ' A' ' 33' ' ' MET . 52.4 mtt180 -74.5 -27.02 60.37 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 115.809 -0.632 . . . . 0.0 111.293 -176.509 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 71' ' ' ALA . . . . . 0.466 ' HB3' HG22 ' A' ' 59' ' ' ILE . . . -66.11 -50.5 63.85 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-O 121.389 0.614 . . . . 0.0 110.208 176.419 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 72' ' ' ASN . . . . . . . . . . . . . 45.1 t-20 -63.19 -41.33 99.18 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 115.305 -0.861 . . . . 0.0 109.765 178.36 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 79.4 tttt -67.38 -35.84 80.15 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 115.66 -0.7 . . . . 0.0 111.066 -179.64 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -57.92 -45.3 86.76 Favored 'General case' 0 CA--C 1.518 -0.272 0 N-CA-C 110.301 -0.259 . . . . 0.0 110.301 177.631 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 47.6 ttt-85 -58.18 -47.94 81.84 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.699 177.765 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 50.0 mtt180 -65.35 -34.66 78.85 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.085 -0.507 . . . . 0.0 111.736 -178.309 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 77' ' ' ARG . . . . . 0.556 ' O ' HG21 ' A' ' 81' ' ' VAL . 10.7 mmt-85 -80.45 -31.33 37.47 Favored 'General case' 0 C--N 1.324 -0.532 0 C-N-CA 120.76 -0.376 . . . . 0.0 111.159 -178.926 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 78' ' ' CYS . . . . . . . . . . . . . 72.6 m -65.81 -41.32 92.03 Favored 'General case' 0 C--N 1.328 -0.364 0 N-CA-C 109.07 -0.715 . . . . 0.0 109.07 170.658 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . -60.19 -37.7 93.33 Favored Glycine 0 N--CA 1.449 -0.464 0 CA-C-N 115.652 -0.704 . . . . 0.0 111.921 174.781 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 5.5 tp10 -61.68 -39.02 89.95 Favored 'General case' 0 CA--C 1.533 0.31 0 CA-C-O 120.861 0.363 . . . . 0.0 110.411 175.227 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 81' ' ' VAL . . . . . 0.556 HG21 ' O ' ' A' ' 77' ' ' ARG . 46.9 t -68.26 -45.24 83.09 Favored 'Isoleucine or valine' 0 C--O 1.233 0.209 0 CA-C-N 116.476 -0.329 . . . . 0.0 110.313 177.098 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 82' ' ' PHE . . . . . 0.498 ' O ' HG13 ' A' ' 86' ' ' ILE . 35.0 m-85 -58.16 -45.54 87.27 Favored 'General case' 0 N--CA 1.465 0.276 0 CA-C-O 121.083 0.468 . . . . 0.0 109.956 174.948 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 83' ' ' ARG . . . . . 0.433 ' O ' HG22 ' A' ' 87' ' ' VAL . 43.9 ttt-85 -54.55 -51.18 66.01 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 115.316 -0.856 . . . . 0.0 110.62 177.048 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 84' ' ' TYR . . . . . . . . . . . . . 63.4 t80 -58.76 -43.06 90.23 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 115.609 -0.723 . . . . 0.0 110.577 177.995 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 85' ' ' ALA . . . . . 0.439 ' HB3' HD11 ' A' ' 47' ' ' ILE . . . -65.22 -40.22 93.8 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 116.058 -0.519 . . . . 0.0 111.556 -179.061 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 86' ' ' ILE . . . . . 0.498 HG13 ' O ' ' A' ' 82' ' ' PHE . 67.7 mt -62.18 -47.39 93.35 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.391 0 CA-C-O 120.773 0.32 . . . . 0.0 110.307 177.43 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 87' ' ' VAL . . . . . 0.433 HG22 ' O ' ' A' ' 83' ' ' ARG . 85.5 t -62.26 -32.83 56.08 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.378 0 CA-C-N 115.957 -0.565 . . . . 0.0 110.985 179.534 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 88' ' ' THR . . . . . . . . . . . . . 31.1 p -91.63 9.46 32.18 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-N 116.265 -0.425 . . . . 0.0 111.285 -179.171 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . 68.27 27.7 73.62 Favored Glycine 0 C--N 1.334 0.452 0 CA-C-N 116.049 -0.523 . . . . 0.0 113.865 173.944 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 54.9 mtm180 -111.53 -13.2 13.86 Favored 'General case' 0 C--N 1.323 -0.574 0 CA-C-N 116.87 0.335 . . . . 0.0 111.483 179.72 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . -122.34 111.29 16.71 Favored 'General case' 0 C--N 1.323 -0.566 0 CA-C-O 120.938 0.399 . . . . 0.0 110.711 177.88 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 64.3 tttm -90.42 -23.44 21.04 Favored 'General case' 0 C--N 1.323 -0.582 0 CA-C-N 115.83 -0.623 . . . . 0.0 110.092 178.106 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 93' ' ' TYR . . . . . . . . . . . . . 71.5 t80 -147.28 145.37 29.37 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 115.738 -0.665 . . . . 0.0 109.781 179.003 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 94' ' ' ASN . . . . . 0.448 ' HA ' ' HD3' ' A' ' 95' ' ' PRO . 31.6 p30 -130.77 146.53 62.37 Favored Pre-proline 0 N--CA 1.452 -0.327 0 CA-C-O 120.984 0.421 . . . . 0.0 110.461 176.37 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 95' ' ' PRO . . . . . 0.448 ' HD3' ' HA ' ' A' ' 94' ' ' ASN . 1.8 Cg_endo -86.1 25.39 0.69 Allowed 'Trans proline' 0 N--CA 1.457 -0.631 0 C-N-CA 123.284 2.656 . . . . 0.0 111.975 177.855 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 96' ' ' ALA . . . . . 0.428 ' HB3' ' HD3' ' A' ' 97' ' ' PRO . . . -61.37 -54.26 54.48 Favored Pre-proline 0 CA--C 1.539 0.553 0 N-CA-C 112.597 0.591 . . . . 0.0 112.597 -175.252 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 97' ' ' PRO . . . . . 0.428 ' HD3' ' HB3' ' A' ' 96' ' ' ALA . 56.5 Cg_endo -71.98 -28.99 15.56 Favored 'Trans proline' 0 C--N 1.354 0.831 0 C-N-CA 121.567 1.511 . . . . 0.0 111.949 178.493 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 28.7 t70 -72.73 -31.86 65.28 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-N 115.768 -0.651 . . . . 0.0 110.437 -177.588 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 99' ' ' LEU . . . . . 0.47 ' HB2' HD22 ' A' ' 55' ' ' LEU . 3.2 tm? -61.4 -39.99 92.75 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 115.94 -0.573 . . . . 0.0 109.794 175.073 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 100' ' ' ALA . . . . . . . . . . . . . . . -64.15 -40.21 95.66 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 115.638 -0.71 . . . . 0.0 110.589 179.505 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 18.7 t70 -67.7 -36.93 81.55 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 115.528 -0.76 . . . . 0.0 110.345 179.079 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -63.71 -55.64 21.76 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 115.89 -0.595 . . . . 0.0 110.767 177.759 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 103' ' ' MET . . . . . 0.496 ' HE2' HG21 ' A' ' 59' ' ' ILE . 44.2 ttm -50.29 -42.89 53.13 Favored 'General case' 0 N--CA 1.465 0.285 0 CA-C-O 120.841 0.353 . . . . 0.0 111.405 175.506 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 104' ' ' LYS . . . . . . . . . . . . . 79.6 tttt . . . . . 0 C--N 1.327 -0.382 0 CA-C-N 115.889 -0.596 . . . . 0.0 111.448 179.746 . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 5' ' ' ASN . . . . . 0.451 ' OD1' ' HD3' ' A' ' 90' ' ' ARG . 57.6 t30 . . . . . 0 C--O 1.235 0.303 0 CA-C-O 121.476 0.655 . . . . 0.0 109.437 . . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 4.2 m -65.28 143.76 57.58 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 115.263 -0.881 . . . . 0.0 110.554 -179.445 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 7' ' ' PHE . . . . . . . . . . . . . 45.4 t80 -57.3 -41.87 80.67 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 116.02 -0.537 . . . . 0.0 110.443 179.593 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 39.7 t -59.31 -36.21 75.22 Favored 'General case' 0 CA--C 1.531 0.231 0 CA-C-N 116.379 -0.373 . . . . 0.0 111.634 179.852 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -67.07 -51.14 58.19 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-O 120.97 0.414 . . . . 0.0 110.836 -177.813 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 64.3 mt -67.56 -33.55 62.86 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 CA-C-N 115.829 -0.623 . . . . 0.0 110.175 178.955 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 4.5 t80 -59.17 -47.13 86.44 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 115.967 -0.56 . . . . 0.0 111.133 175.626 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 86.3 tttt -66.7 -36.35 82.28 Favored 'General case' 0 C--N 1.329 -0.316 0 C-N-CA 120.599 -0.44 . . . . 0.0 110.755 -178.999 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 23.9 mm-40 -61.74 -52.9 62.34 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 120.961 0.41 . . . . 0.0 109.949 174.038 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 14' ' ' TRP . . . . . . . . . . . . . 57.5 t90 -54.47 -46.38 73.34 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 115.491 -0.777 . . . . 0.0 110.345 176.955 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 15' ' ' TYR . . . . . . . . . . . . . 40.7 t80 -56.77 -55.41 34.64 Favored 'General case' 0 N--CA 1.45 -0.45 0 CA-C-N 115.533 -0.758 . . . . 0.0 110.998 178.762 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 17.4 tp10 -58.84 -30.27 67.56 Favored 'General case' 0 CA--C 1.53 0.208 0 CA-C-O 120.791 0.329 . . . . 0.0 111.203 -176.287 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 17' ' ' HIS . . . . . . . . . . . . . 42.7 m-70 -71.57 -52.36 18.55 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.767 0.317 . . . . 0.0 110.693 178.382 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 18' ' ' LYS . . . . . 0.438 ' HA ' ' HD2' ' A' ' 18' ' ' LYS . 9.1 mmmm -77.39 -12.33 59.94 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 121.144 0.497 . . . . 0.0 110.797 -177.17 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 40.7 tttm -67.04 -20.89 65.91 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-N 115.47 -0.786 . . . . 0.0 110.433 176.22 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 97.1 mt-30 -87.65 -13.64 42.13 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-N 115.994 -0.548 . . . . 0.0 110.379 175.911 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 60.4 t -88.2 -51.45 12.51 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.536 0 CA-C-N 115.778 -0.646 . . . . 0.0 110.373 179.272 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 22' ' ' TRP . . . . . . . . . . . . . 6.1 m0 -85.99 168.18 14.37 Favored 'General case' 0 C--N 1.323 -0.584 0 CA-C-N 115.711 -0.677 . . . . 0.0 110.0 179.956 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 18.1 m -73.5 147.75 43.76 Favored 'General case' 0 C--N 1.322 -0.589 0 N-CA-C 109.207 -0.664 . . . . 0.0 109.207 175.414 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 42.8 t -56.85 -42.19 77.52 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 N-CA-C 111.754 0.279 . . . . 0.0 111.754 -175.705 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -62.37 -37.42 94.59 Favored Glycine 0 N--CA 1.453 -0.211 0 C-N-CA 120.942 -0.647 . . . . 0.0 111.899 178.344 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 26' ' ' TYR . . . . . . . . . . . . . 77.3 t80 -74.36 -44.05 53.92 Favored 'General case' 0 C--N 1.325 -0.493 0 N-CA-C 110.076 -0.342 . . . . 0.0 110.076 178.374 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -61.32 -43.71 98.42 Favored 'General case' 0 N--CA 1.454 -0.251 0 CA-C-N 116.075 -0.511 . . . . 0.0 110.794 -179.605 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 39.5 m -64.13 -40.66 96.66 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.949 179.587 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 33.6 tt0 -68.97 -43.48 74.86 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 121.039 0.447 . . . . 0.0 110.793 179.764 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 10.1 tt -60.01 -42.68 94.85 Favored 'General case' 0 C--O 1.237 0.416 0 CA-C-N 116.042 -0.527 . . . . 0.0 109.951 177.67 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -68.98 -36.92 78.41 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 115.64 -0.709 . . . . 0.0 110.914 178.615 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 27.2 tptp -56.32 -44.88 80.39 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 120.696 0.284 . . . . 0.0 110.838 179.879 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 33' ' ' MET . . . . . . . . . . . . . 46.7 ttp -68.75 -42.86 76.97 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.988 178.297 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 34' ' ' PHE . . . . . 0.44 ' HA ' HD12 ' A' ' 38' ' ' ILE . 12.5 t80 -67.48 -47.87 68.8 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.191 -177.291 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 35' ' ' ASP . . . . . 0.694 ' HA ' HD23 ' A' ' 39' ' ' LEU . 0.9 OUTLIER -58.98 -54.63 44.93 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.297 -0.41 . . . . 0.0 111.308 178.905 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 33.4 t70 -66.51 -23.87 66.31 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-N 116.283 -0.417 . . . . 0.0 111.825 -172.655 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 37' ' ' ASP . . . . . 0.595 ' HA ' ' NH1' ' A' ' 61' ' ' ARG . 4.1 m-20 -97.17 -58.03 2.12 Favored 'General case' 0 C--N 1.328 -0.333 0 N-CA-C 112.51 0.559 . . . . 0.0 112.51 179.999 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 38' ' ' ILE . . . . . 0.44 HD12 ' HA ' ' A' ' 34' ' ' PHE . 2.1 mp -69.91 -38.72 76.34 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.567 0 N-CA-C 111.953 0.353 . . . . 0.0 111.953 -171.994 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 39' ' ' LEU . . . . . 0.694 HD23 ' HA ' ' A' ' 35' ' ' ASP . 2.7 mm? -60.56 -52.37 73.27 Favored Pre-proline 0 C--N 1.327 -0.409 0 N-CA-C 112.936 0.717 . . . . 0.0 112.936 -173.753 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 42.4 Cg_exo -59.52 -22.83 68.27 Favored 'Trans proline' 0 C--N 1.35 0.609 0 C-N-CA 122.074 1.849 . . . . 0.0 112.536 177.615 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 41' ' ' ILE . . . . . 0.597 HG22 HG22 ' A' ' 42' ' ' ILE . 23.4 mm -90.71 -67.25 0.79 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.382 0 CA-C-N 116.393 -0.367 . . . . 0.0 110.919 -178.022 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 42' ' ' ILE . . . . . 0.597 HG22 HG22 ' A' ' 41' ' ' ILE . 9.2 pt -124.37 8.45 4.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 N-CA-C 112.287 0.477 . . . . 0.0 112.287 -173.241 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 43' ' ' GLY . . . . . 0.531 ' HA3' ' HA ' ' A' ' 39' ' ' LEU . . . -57.74 -40.5 92.91 Favored Glycine 0 C--O 1.234 0.132 0 C-N-CA 120.973 -0.632 . . . . 0.0 113.381 -174.924 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -93.06 13.53 67.45 Favored Glycine 0 N--CA 1.446 -0.645 0 C-N-CA 120.83 -0.7 . . . . 0.0 112.498 -177.604 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 45' ' ' LEU . . . . . 0.433 HD11 HG23 ' A' ' 42' ' ' ILE . 88.3 mt -97.85 149.98 21.78 Favored 'General case' 0 C--N 1.326 -0.433 0 N-CA-C 110.102 -0.333 . . . . 0.0 110.102 179.176 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 46' ' ' GLU . . . . . 0.466 ' O ' HG13 ' A' ' 50' ' ' ILE . 45.2 mt-10 -77.67 139.33 39.43 Favored 'General case' 0 C--N 1.324 -0.516 0 N-CA-C 109.819 -0.437 . . . . 0.0 109.819 179.1 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 47' ' ' ILE . . . . . 0.451 HD12 ' HB3' ' A' ' 85' ' ' ALA . 13.3 tt -62.81 -21.16 27.09 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.606 0 CA-C-N 115.875 -0.602 . . . . 0.0 112.612 -169.888 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 95.3 mt-30 -87.69 -18.23 30.0 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.679 0.276 . . . . 0.0 111.386 178.293 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 1.5 m-20 -125.07 32.62 5.36 Favored 'General case' 0 C--N 1.322 -0.621 0 CA-C-O 121.037 0.446 . . . . 0.0 111.65 -169.444 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 50' ' ' ILE . . . . . 0.466 HG13 ' O ' ' A' ' 46' ' ' GLU . 74.7 mt -83.25 129.7 37.02 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.565 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.398 177.175 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 9.4 mm-40 -69.58 126.67 92.74 Favored Pre-proline 0 C--N 1.325 -0.499 0 CA-C-N 115.922 -0.581 . . . . 0.0 110.611 179.628 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 52' ' ' PRO . . . . . . . . . . . . . 50.8 Cg_exo -54.29 -44.77 46.4 Favored 'Trans proline' 0 C--N 1.342 0.205 0 C-N-CA 122.985 2.456 . . . . 0.0 112.643 179.335 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 53' ' ' MET . . . . . . . . . . . . . 50.7 ttp -68.56 -25.84 65.11 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 121.001 0.429 . . . . 0.0 110.698 -178.95 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 54' ' ' GLN . . . . . 0.476 ' O ' ' HB3' ' A' ' 57' ' ' GLU . 28.0 tt0 -80.45 -32.35 37.24 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-O 121.482 0.658 . . . . 0.0 109.602 179.016 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 40.2 tp -66.62 -32.42 73.73 Favored 'General case' 0 C--N 1.325 -0.465 0 N-CA-C 108.958 -0.756 . . . . 0.0 108.958 171.633 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 56' ' ' LEU . . . . . 0.466 HD11 ' O ' ' A' ' 56' ' ' LEU . 2.1 tm? -67.43 -35.2 78.77 Favored 'General case' 0 C--O 1.221 -0.403 0 CA-C-N 115.31 -0.859 . . . . 0.0 109.277 174.052 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 57' ' ' GLU . . . . . 0.476 ' HB3' ' O ' ' A' ' 54' ' ' GLN . 9.1 tp10 -55.96 -38.56 70.53 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.557 -0.292 . . . . 0.0 110.26 176.444 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 96.0 t -61.94 -55.78 21.96 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.326 0 CA-C-O 121.077 0.465 . . . . 0.0 110.997 174.441 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 59' ' ' ILE . . . . . 0.493 HG22 ' HE3' ' A' ' 103' ' ' MET . 1.7 mp -58.89 -40.93 81.48 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.36 0 CA-C-O 121.196 0.522 . . . . 0.0 110.723 179.828 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 60' ' ' ARG . . . . . 0.423 ' HA ' ' CB ' ' A' ' 63' ' ' GLU . 55.4 ttp85 -75.56 -21.8 57.56 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-N 115.763 -0.653 . . . . 0.0 110.779 -178.341 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 61' ' ' ARG . . . . . 0.595 ' NH1' ' HA ' ' A' ' 37' ' ' ASP . 1.5 ttt180 -59.4 -46.27 89.15 Favored 'General case' 0 C--N 1.331 -0.208 0 N-CA-C 108.492 -0.929 . . . . 0.0 108.492 172.495 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 62' ' ' PHE . . . . . . . . . . . . . 96.8 m-85 -70.63 -37.54 73.78 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 115.245 -0.889 . . . . 0.0 110.939 175.246 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 63' ' ' GLU . . . . . 0.509 ' HA ' ' HE3' ' A' ' 68' ' ' MET . 24.4 tt0 -53.18 -46.58 69.02 Favored 'General case' 0 N--CA 1.468 0.432 0 CA-C-N 116.26 -0.427 . . . . 0.0 111.644 -178.962 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 32.1 t70 -58.4 -29.1 65.81 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.51 -177.299 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 84.6 mtt180 -83.44 -13.06 55.62 Favored 'General case' 0 C--N 1.323 -0.565 0 CA-C-N 115.994 -0.548 . . . . 0.0 110.712 -178.322 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 83.37 9.98 82.81 Favored Glycine 0 N--CA 1.448 -0.564 0 N-CA-C 110.375 -1.09 . . . . 0.0 110.375 -169.823 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -83.59 50.12 1.73 Allowed 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 115.128 -0.536 . . . . 0.0 110.388 -177.753 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 68' ' ' MET . . . . . 0.71 ' HE1' ' HA ' ' A' ' 68' ' ' MET . 1.4 mmt -61.97 -34.77 76.76 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 115.776 -0.647 . . . . 0.0 111.359 -177.659 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 2.4 tm-20 -64.92 -49.23 71.23 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-N 116.129 -0.487 . . . . 0.0 109.982 179.773 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 77.7 mtt180 -74.37 -17.56 60.8 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 116.302 -0.408 . . . . 0.0 111.263 179.292 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -70.74 -40.79 72.52 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.868 0.366 . . . . 0.0 110.151 174.916 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 72' ' ' ASN . . . . . . . . . . . . . 40.1 t30 -62.67 -39.57 94.35 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 115.942 -0.572 . . . . 0.0 109.616 174.744 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 44.6 mttp -60.73 -41.38 95.19 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 115.682 -0.69 . . . . 0.0 110.491 173.916 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -59.75 -50.24 74.59 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.619 -0.264 . . . . 0.0 110.923 179.095 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 41.5 ttt180 -58.51 -48.32 81.19 Favored 'General case' 0 C--N 1.329 -0.322 0 O-C-N 123.389 0.431 . . . . 0.0 111.193 179.345 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 54.9 mtm180 -70.11 -37.31 75.31 Favored 'General case' 0 C--N 1.328 -0.351 0 N-CA-C 112.226 0.454 . . . . 0.0 112.226 -176.014 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 77' ' ' ARG . . . . . 0.433 ' O ' HG23 ' A' ' 81' ' ' VAL . 83.2 mtm180 -64.21 -43.24 95.63 Favored 'General case' 0 C--N 1.328 -0.328 0 C-N-CA 120.886 -0.326 . . . . 0.0 110.173 177.506 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 78' ' ' CYS . . . . . . . . . . . . . 73.6 m -63.57 -40.29 96.58 Favored 'General case' 0 C--N 1.331 -0.208 0 N-CA-C 109.676 -0.49 . . . . 0.0 109.676 175.486 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . -58.14 -37.02 84.8 Favored Glycine 0 N--CA 1.45 -0.405 0 CA-C-N 115.915 -0.584 . . . . 0.0 112.594 176.994 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 22.1 tt0 -71.58 -35.87 70.7 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.71 0.255 . . . . 0.0 110.38 178.444 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 81' ' ' VAL . . . . . 0.433 HG23 ' O ' ' A' ' 77' ' ' ARG . 66.9 t -62.4 -45.07 99.64 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.233 0 N-CA-C 109.707 -0.479 . . . . 0.0 109.707 173.669 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 82' ' ' PHE . . . . . 0.572 ' O ' HG13 ' A' ' 86' ' ' ILE . 29.4 m-85 -59.88 -43.16 94.89 Favored 'General case' 0 C--O 1.227 -0.097 0 CA-C-N 115.926 -0.579 . . . . 0.0 110.192 174.229 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 83' ' ' ARG . . . . . 0.489 ' O ' HG21 ' A' ' 87' ' ' VAL . 36.7 ttp180 -59.13 -43.65 92.0 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 115.994 -0.548 . . . . 0.0 110.523 -179.989 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 84' ' ' TYR . . . . . . . . . . . . . 18.5 t80 -63.85 -34.26 77.53 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-O 121.052 0.453 . . . . 0.0 109.946 179.016 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 85' ' ' ALA . . . . . 0.478 ' HA ' ' OG1' ' A' ' 88' ' ' THR . . . -71.09 -28.49 64.37 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.666 176.826 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 86' ' ' ILE . . . . . 0.572 HG13 ' O ' ' A' ' 82' ' ' PHE . 69.3 mt -72.09 -39.32 65.49 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.585 0 CA-C-O 121.144 0.497 . . . . 0.0 109.785 174.831 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 87' ' ' VAL . . . . . 0.489 HG21 ' O ' ' A' ' 83' ' ' ARG . 68.1 t -67.62 -34.54 68.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 115.637 -0.71 . . . . 0.0 110.851 177.797 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 88' ' ' THR . . . . . 0.478 ' OG1' ' HA ' ' A' ' 85' ' ' ALA . 14.5 p -79.76 -8.68 59.4 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.947 0.403 . . . . 0.0 111.194 177.928 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . 83.86 17.31 65.82 Favored Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.873 -0.679 . . . . 0.0 112.78 176.586 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 90' ' ' ARG . . . . . 0.451 ' HD3' ' OD1' ' A' ' 5' ' ' ASN . 66.0 mtt180 -91.7 -64.45 1.12 Allowed 'General case' 0 C--N 1.326 -0.424 0 CA-C-O 121.084 0.468 . . . . 0.0 110.799 179.927 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . -81.94 118.15 22.73 Favored 'General case' 0 C--N 1.321 -0.67 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.274 -177.335 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 85.5 mttt -100.91 -14.19 18.02 Favored 'General case' 0 C--N 1.32 -0.702 0 CA-C-O 121.513 0.673 . . . . 0.0 110.02 -178.053 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 93' ' ' TYR . . . . . . . . . . . . . 71.4 t80 -147.2 130.25 16.35 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-N 114.945 -1.025 . . . . 0.0 109.323 174.35 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 94' ' ' ASN . . . . . . . . . . . . . 24.7 p-10 -111.96 134.8 21.31 Favored Pre-proline 0 C--N 1.32 -0.715 0 N-CA-C 109.43 -0.582 . . . . 0.0 109.43 175.447 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 95' ' ' PRO . . . . . 0.423 ' O ' ' HB2' ' A' ' 99' ' ' LEU . 72.9 Cg_endo -76.08 29.36 0.39 Allowed 'Trans proline' 0 CA--C 1.528 0.186 0 C-N-CA 122.847 2.365 . . . . 0.0 113.119 -175.29 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 96' ' ' ALA . . . . . 0.522 ' HB1' ' HD3' ' A' ' 97' ' ' PRO . . . -68.01 -48.51 38.95 Favored Pre-proline 0 CA--C 1.541 0.607 0 N-CA-C 112.057 0.391 . . . . 0.0 112.057 -179.145 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 97' ' ' PRO . . . . . 0.522 ' HD3' ' HB1' ' A' ' 96' ' ' ALA . 30.1 Cg_exo -63.28 -42.74 21.04 Favored 'Trans proline' 0 C--N 1.355 0.919 0 C-N-CA 121.962 1.774 . . . . 0.0 112.138 177.072 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 36.7 t70 -66.7 -34.09 77.09 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.508 -179.897 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 99' ' ' LEU . . . . . 0.423 ' HB2' ' O ' ' A' ' 95' ' ' PRO . 2.9 tm? -55.85 -40.47 72.91 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-N 115.818 -0.628 . . . . 0.0 110.05 176.382 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 100' ' ' ALA . . . . . . . . . . . . . . . -66.27 -46.55 76.65 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.868 179.91 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 24.4 t70 -64.14 -40.21 95.67 Favored 'General case' 0 C--O 1.234 0.274 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.973 179.991 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -63.44 -44.54 94.25 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-N 115.774 -0.648 . . . . 0.0 110.378 177.383 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 103' ' ' MET . . . . . 0.493 ' HE3' HG22 ' A' ' 59' ' ' ILE . 41.0 ttm -56.72 -46.46 81.27 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.057 -0.519 . . . . 0.0 111.165 178.427 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 104' ' ' LYS . . . . . . . . . . . . . 74.5 mmtt . . . . . 0 C--N 1.327 -0.377 0 CA-C-N 115.871 -0.604 . . . . 0.0 111.377 -178.252 . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 5' ' ' ASN . . . . . 0.472 ' N ' HD21 ' A' ' 5' ' ' ASN . 0.9 OUTLIER . . . . . 0 CA--C 1.52 -0.203 0 N-CA-C 109.209 -0.664 . . . . 0.0 109.209 . . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 19.9 m -69.03 143.41 54.32 Favored 'General case' 0 N--CA 1.449 -0.484 0 CA-C-N 115.192 -0.913 . . . . 0.0 109.723 174.244 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 7' ' ' PHE . . . . . . . . . . . . . 35.4 t80 -58.68 -42.24 88.07 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 116.457 -0.338 . . . . 0.0 111.58 -174.907 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 23.0 t -62.03 -31.98 72.44 Favored 'General case' 0 C--O 1.234 0.259 0 CA-C-O 120.85 0.357 . . . . 0.0 111.338 -178.601 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -70.87 -47.06 61.28 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.995 0.426 . . . . 0.0 110.76 -178.647 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 81.0 mt -70.38 -33.79 55.47 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.437 0 CA-C-N 116.079 -0.51 . . . . 0.0 110.374 178.627 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 1.2 t80 -56.61 -40.52 75.5 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.442 173.2 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 18.2 tptm -66.26 -42.01 89.09 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-O 120.793 0.33 . . . . 0.0 110.54 -178.996 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 9.9 tp10 -63.41 -46.54 85.91 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 121.233 0.539 . . . . 0.0 109.74 176.623 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 14' ' ' TRP . . . . . . . . . . . . . 60.3 t90 -57.67 -50.54 72.84 Favored 'General case' 0 C--O 1.237 0.409 0 CA-C-N 115.308 -0.86 . . . . 0.0 110.665 177.32 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 15' ' ' TYR . . . . . 0.486 ' CE1' ' HB3' ' A' ' 31' ' ' ALA . 34.8 t80 -58.57 -47.6 83.73 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 115.97 -0.559 . . . . 0.0 111.276 -179.397 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 42.0 tt0 -58.93 -38.19 78.42 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.732 0.301 . . . . 0.0 111.497 -175.821 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 17' ' ' HIS . . . . . . . . . . . . . 12.3 m170 -73.81 -46.96 42.05 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 116.601 -0.272 . . . . 0.0 110.856 -178.634 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 33.1 mmtm -68.39 -24.51 64.78 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-O 120.874 0.369 . . . . 0.0 110.951 178.793 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 64.2 tttm -63.75 -23.61 67.43 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 115.916 -0.584 . . . . 0.0 110.997 179.857 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 45.5 mm-40 -89.47 -6.29 56.59 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-O 121.07 0.462 . . . . 0.0 110.099 -179.688 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 48.9 t -104.04 -45.27 9.54 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 CA-C-N 115.84 -0.618 . . . . 0.0 110.448 -179.089 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 22' ' ' TRP . . . . . . . . . . . . . 26.3 m0 -80.86 179.47 7.82 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-N 115.79 -0.641 . . . . 0.0 110.764 -179.579 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 6.9 m -81.83 148.79 28.65 Favored 'General case' 0 C--N 1.323 -0.566 0 CA-C-N 115.849 -0.614 . . . . 0.0 109.364 175.052 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 11.3 p -56.27 -40.81 68.04 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.396 0 N-CA-C 111.64 0.237 . . . . 0.0 111.64 -178.112 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -69.19 -47.82 50.32 Favored Glycine 0 N--CA 1.449 -0.47 0 C-N-CA 120.655 -0.783 . . . . 0.0 111.773 179.044 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 26' ' ' TYR . . . . . . . . . . . . . 65.1 t80 -56.87 -43.71 81.51 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.851 0.358 . . . . 0.0 110.383 177.528 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -66.57 -46.58 75.53 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 115.85 -0.614 . . . . 0.0 111.371 -179.433 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 32.8 m -63.99 -39.45 94.15 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-O 120.883 0.373 . . . . 0.0 110.887 -179.606 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 39.0 tt0 -65.03 -47.9 75.78 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-O 121.203 0.525 . . . . 0.0 110.358 178.483 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 8.1 tt -62.89 -45.34 93.01 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 115.476 -0.784 . . . . 0.0 110.36 -179.491 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 31' ' ' ALA . . . . . 0.486 ' HB3' ' CE1' ' A' ' 15' ' ' TYR . . . -63.37 -34.47 77.8 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.021 -0.536 . . . . 0.0 111.626 -178.495 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 32' ' ' LYS . . . . . 0.401 ' HA ' ' HD2' ' A' ' 32' ' ' LYS . 46.0 tptt -69.9 -39.8 76.02 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.814 0.34 . . . . 0.0 110.52 179.132 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 33' ' ' MET . . . . . 0.418 ' HE3' ' HB3' ' A' ' 33' ' ' MET . 12.5 tmm? -62.37 -48.87 77.88 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.005 -0.543 . . . . 0.0 110.065 176.76 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 34' ' ' PHE . . . . . 0.437 ' CG ' HD12 ' A' ' 38' ' ' ILE . 3.1 t80 -62.63 -38.78 91.58 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 115.806 -0.634 . . . . 0.0 109.985 179.117 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 35' ' ' ASP . . . . . 0.551 ' O ' ' HD3' ' A' ' 40' ' ' PRO . 14.9 t70 -62.56 -66.39 0.55 Allowed 'General case' 0 C--N 1.323 -0.565 0 CA-C-N 115.291 -0.868 . . . . 0.0 111.691 -178.851 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 26.7 t70 -66.69 -30.08 70.24 Favored 'General case' 0 C--O 1.237 0.442 0 CA-C-N 115.803 -0.635 . . . . 0.0 112.497 -169.316 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 37' ' ' ASP . . . . . 0.578 ' HA ' ' NH1' ' A' ' 61' ' ' ARG . 50.0 m-20 -98.38 -43.79 6.79 Favored 'General case' 0 C--N 1.322 -0.595 0 N-CA-C 112.789 0.663 . . . . 0.0 112.789 -174.079 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 38' ' ' ILE . . . . . 0.448 HG12 ' CG1' ' A' ' 58' ' ' VAL . 20.9 mt -91.68 -39.86 11.91 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.616 0 N-CA-C 112.208 0.447 . . . . 0.0 112.208 -171.628 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 39' ' ' LEU . . . . . 0.415 ' HB2' ' O ' ' A' ' 35' ' ' ASP . 43.6 mt -65.31 -41.06 48.93 Favored Pre-proline 0 CA--C 1.54 0.594 0 N-CA-C 113.612 0.967 . . . . 0.0 113.612 -173.559 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 40' ' ' PRO . . . . . 0.551 ' HD3' ' O ' ' A' ' 35' ' ' ASP . 23.4 Cg_exo -67.52 -9.9 26.91 Favored 'Trans proline' 0 C--N 1.35 0.633 0 C-N-CA 121.725 1.617 . . . . 0.0 112.745 176.693 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 41' ' ' ILE . . . . . 0.558 HG22 HG23 ' A' ' 42' ' ' ILE . 19.6 mm -96.93 -54.13 7.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.686 -0.233 . . . . 0.0 111.066 -178.935 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 42' ' ' ILE . . . . . 0.558 HG23 HG22 ' A' ' 41' ' ' ILE . 15.2 pt -131.16 9.56 1.88 Allowed 'Isoleucine or valine' 0 C--N 1.332 -0.195 0 N-CA-C 112.343 0.497 . . . . 0.0 112.343 -176.246 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -61.44 -36.87 93.18 Favored Glycine 0 N--CA 1.453 -0.181 0 C-N-CA 120.769 -0.729 . . . . 0.0 112.536 -175.226 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -94.04 12.61 68.9 Favored Glycine 0 N--CA 1.446 -0.662 0 C-N-CA 120.753 -0.737 . . . . 0.0 112.513 -178.874 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 45' ' ' LEU . . . . . 0.462 HD12 ' HA ' ' A' ' 42' ' ' ILE . 93.1 mt -96.23 151.53 19.41 Favored 'General case' 0 C--N 1.326 -0.431 0 N-CA-C 110.105 -0.331 . . . . 0.0 110.105 178.231 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 48.8 mt-10 -74.38 132.96 42.46 Favored 'General case' 0 C--N 1.325 -0.487 0 N-CA-C 108.907 -0.775 . . . . 0.0 108.907 178.336 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 18.6 tt -62.87 -17.51 19.32 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.647 0 CA-C-O 121.043 0.449 . . . . 0.0 111.494 -174.748 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 79.1 mt-30 -86.32 -20.47 28.3 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.836 179.249 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 21.8 t70 -140.05 86.47 2.09 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-O 121.284 0.564 . . . . 0.0 111.063 -178.981 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 50' ' ' ILE . . . . . . . . . . . . . 75.9 mt -115.05 136.68 50.99 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.818 0 CA-C-N 115.353 -0.84 . . . . 0.0 109.951 175.527 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 1.5 tm-20 -66.19 124.72 88.68 Favored Pre-proline 0 C--N 1.325 -0.487 0 CA-C-N 115.973 -0.558 . . . . 0.0 109.911 -179.644 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 52' ' ' PRO . . . . . . . . . . . . . 52.4 Cg_exo -53.34 -39.06 82.65 Favored 'Trans proline' 0 C--O 1.232 0.198 0 C-N-CA 123.021 2.481 . . . . 0.0 112.556 179.985 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 53' ' ' MET . . . . . . . . . . . . . 90.3 mtp -74.97 -20.6 59.6 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.49 -0.323 . . . . 0.0 111.125 -177.615 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 59.1 mt-30 -83.22 -43.87 15.63 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.518 -0.31 . . . . 0.0 110.884 177.657 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 55' ' ' LEU . . . . . 0.419 ' O ' ' HB ' ' A' ' 58' ' ' VAL . 54.0 tp -61.74 -40.15 94.1 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-O 121.646 0.736 . . . . 0.0 109.412 176.01 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 56' ' ' LEU . . . . . 0.572 HD13 ' HG3' ' A' ' 60' ' ' ARG . 2.4 tm? -68.04 -31.08 70.49 Favored 'General case' 0 C--N 1.323 -0.566 0 CA-C-N 115.357 -0.838 . . . . 0.0 109.963 176.337 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 11.1 tt0 -73.32 -20.92 60.68 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-O 120.55 0.214 . . . . 0.0 110.684 178.146 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 58' ' ' VAL . . . . . 0.508 ' O ' ' HB3' ' A' ' 61' ' ' ARG . 77.1 t -63.7 -55.17 24.14 Favored 'Isoleucine or valine' 0 C--O 1.238 0.474 0 N-CA-C 108.779 -0.823 . . . . 0.0 108.779 168.659 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 59' ' ' ILE . . . . . 0.509 HG21 ' HE3' ' A' ' 103' ' ' MET . 1.7 mp -56.37 -39.71 62.43 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.633 0 CA-C-N 114.791 -1.095 . . . . 0.0 110.483 176.295 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 60' ' ' ARG . . . . . 0.572 ' HG3' HD13 ' A' ' 56' ' ' LEU . 26.5 mtp180 -76.42 -20.77 56.76 Favored 'General case' 0 C--N 1.332 -0.187 0 N-CA-C 111.943 0.349 . . . . 0.0 111.943 -179.652 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 61' ' ' ARG . . . . . 0.578 ' NH1' ' HA ' ' A' ' 37' ' ' ASP . 14.8 tpt180 -57.69 -40.25 79.03 Favored 'General case' 0 C--N 1.328 -0.343 0 N-CA-C 108.425 -0.954 . . . . 0.0 108.425 171.195 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 62' ' ' PHE . . . . . . . . . . . . . 93.0 m-85 -79.58 -38.28 34.4 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 115.128 -0.942 . . . . 0.0 111.351 174.814 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 63' ' ' GLU . . . . . 0.533 ' HB3' ' HA ' ' A' ' 60' ' ' ARG . 40.4 tt0 -59.02 -56.86 16.77 Favored 'General case' 0 N--CA 1.469 0.496 0 N-CA-C 112.004 0.372 . . . . 0.0 112.004 -176.917 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 3.6 m-20 -59.57 -29.01 67.65 Favored 'General case' 0 N--CA 1.464 0.256 0 CA-C-O 120.973 0.416 . . . . 0.0 110.914 -178.49 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 40.0 ttm180 -73.46 -32.61 64.44 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-N 115.779 -0.646 . . . . 0.0 111.094 -179.944 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 101.89 17.74 19.97 Favored Glycine 0 N--CA 1.449 -0.461 0 C-N-CA 120.558 -0.829 . . . . 0.0 111.878 -176.583 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -104.56 83.16 2.0 Favored 'General case' 0 C--N 1.324 -0.508 0 N-CA-C 109.742 -0.466 . . . . 0.0 109.742 177.983 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 68' ' ' MET . . . . . . . . . . . . . 57.9 mmm -79.3 -37.03 38.71 Favored 'General case' 0 C--N 1.323 -0.554 0 CA-C-N 116.089 -0.505 . . . . 0.0 111.303 -171.108 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 69' ' ' GLU . . . . . 0.526 ' O ' ' HG3' ' A' ' 73' ' ' LYS . 51.2 mm-40 -61.93 -48.12 81.84 Favored 'General case' 0 C--N 1.326 -0.427 0 N-CA-C 110.072 -0.344 . . . . 0.0 110.072 176.253 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 63.9 mtt85 -62.09 -33.46 74.49 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.114 -0.494 . . . . 0.0 111.036 177.892 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -63.92 -38.42 91.01 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-O 120.932 0.396 . . . . 0.0 110.857 178.149 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 72' ' ' ASN . . . . . . . . . . . . . 66.5 t30 -78.08 -35.35 49.52 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 116.35 -0.386 . . . . 0.0 110.234 178.833 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 73' ' ' LYS . . . . . 0.526 ' HG3' ' O ' ' A' ' 69' ' ' GLU . 68.9 mttm -57.05 -47.64 80.47 Favored 'General case' 0 CA--C 1.522 -0.116 0 N-CA-C 109.627 -0.509 . . . . 0.0 109.627 173.813 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -58.55 -50.23 74.55 Favored 'General case' 0 N--CA 1.453 -0.286 0 CA-C-N 115.714 -0.676 . . . . 0.0 110.491 176.255 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 29.4 ttm180 -49.49 -60.8 2.52 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 115.361 -0.836 . . . . 0.0 112.143 -177.166 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 76' ' ' ARG . . . . . 0.426 HH11 ' HD3' ' A' ' 76' ' ' ARG . 17.2 mtm180 -78.03 -28.54 49.09 Favored 'General case' 0 C--N 1.327 -0.407 0 N-CA-C 111.983 0.364 . . . . 0.0 111.983 -172.178 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 77' ' ' ARG . . . . . 0.457 ' O ' HG23 ' A' ' 81' ' ' VAL . 46.8 mtt180 -79.12 -28.14 42.92 Favored 'General case' 0 C--N 1.328 -0.352 0 C-N-CA 120.41 -0.516 . . . . 0.0 111.525 -179.164 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 78' ' ' CYS . . . . . . . . . . . . . 96.1 m -64.87 -41.9 95.27 Favored 'General case' 0 C--N 1.33 -0.277 0 N-CA-C 108.756 -0.831 . . . . 0.0 108.756 169.543 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . -57.55 -35.09 71.35 Favored Glycine 0 N--CA 1.448 -0.509 0 CA-C-N 115.526 -0.761 . . . . 0.0 112.199 173.61 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 33.7 tt0 -66.81 -41.36 87.68 Favored 'General case' 0 C--N 1.331 -0.207 0 N-CA-C 110.193 -0.299 . . . . 0.0 110.193 177.277 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 81' ' ' VAL . . . . . 0.457 HG23 ' O ' ' A' ' 77' ' ' ARG . 59.1 t -62.7 -44.85 99.79 Favored 'Isoleucine or valine' 0 C--O 1.234 0.259 0 CA-C-O 120.776 0.322 . . . . 0.0 110.417 176.81 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 82' ' ' PHE . . . . . 0.502 ' O ' HG13 ' A' ' 86' ' ' ILE . 36.2 m-85 -58.41 -50.55 73.27 Favored 'General case' 0 C--N 1.333 -0.151 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.232 175.646 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 6.0 ttp180 -56.82 -39.57 74.44 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 115.489 -0.778 . . . . 0.0 111.286 178.646 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 84' ' ' TYR . . . . . . . . . . . . . 37.4 t80 -64.85 -52.56 55.98 Favored 'General case' 0 C--O 1.219 -0.532 0 CA-C-N 116.3 -0.409 . . . . 0.0 110.088 179.139 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 85' ' ' ALA . . . . . 0.59 ' HA ' ' HB ' ' A' ' 88' ' ' THR . . . -55.05 -28.95 56.16 Favored 'General case' 0 C--N 1.327 -0.408 0 N-CA-C 111.951 0.352 . . . . 0.0 111.951 178.293 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 86' ' ' ILE . . . . . 0.502 HG13 ' O ' ' A' ' 82' ' ' PHE . 82.6 mt -66.18 -50.79 66.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.722 -0.217 . . . . 0.0 110.691 176.635 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 87' ' ' VAL . . . . . . . . . . . . . 29.7 m -73.48 -24.37 20.19 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.218 0 CA-C-O 121.251 0.548 . . . . 0.0 110.497 177.747 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 88' ' ' THR . . . . . 0.59 ' HB ' ' HA ' ' A' ' 85' ' ' ALA . 25.6 m -65.99 -31.8 72.92 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 115.32 -0.854 . . . . 0.0 110.775 173.022 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . 95.25 21.48 24.84 Favored Glycine 0 N--CA 1.448 -0.534 0 C-N-CA 120.76 -0.733 . . . . 0.0 112.271 179.145 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 60.7 mtt85 -118.33 1.89 11.86 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-O 120.859 0.362 . . . . 0.0 110.952 179.592 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 91' ' ' ALA . . . . . 0.457 ' O ' ' HA ' ' A' ' 86' ' ' ILE . . . -142.3 135.98 29.28 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-N 116.387 -0.37 . . . . 0.0 110.343 176.103 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 86.8 tttt -100.16 -42.22 6.79 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-O 121.42 0.628 . . . . 0.0 109.76 178.326 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 93' ' ' TYR . . . . . . . . . . . . . 43.5 p90 -139.46 172.89 12.15 Favored 'General case' 0 C--N 1.323 -0.562 0 N-CA-C 108.797 -0.816 . . . . 0.0 108.797 174.031 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 94' ' ' ASN . . . . . 0.404 ' HB3' ' HB3' ' A' ' 82' ' ' PHE . 25.1 p30 -131.39 157.78 77.14 Favored Pre-proline 0 C--N 1.321 -0.673 0 CA-C-O 120.702 0.287 . . . . 0.0 110.979 -176.879 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 95' ' ' PRO . . . . . . . . . . . . . 3.3 Cg_exo -78.86 19.89 0.84 Allowed 'Trans proline' 0 CA--C 1.53 0.323 0 C-N-CA 123.028 2.485 . . . . 0.0 112.64 176.753 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 96' ' ' ALA . . . . . 0.554 ' N ' ' HD2' ' A' ' 97' ' ' PRO . . . -65.87 -45.59 64.77 Favored Pre-proline 0 CA--C 1.539 0.53 0 N-CA-C 111.75 0.278 . . . . 0.0 111.75 179.662 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 97' ' ' PRO . . . . . 0.554 ' HD2' ' N ' ' A' ' 96' ' ' ALA . 10.2 Cg_endo -55.69 -35.18 92.69 Favored 'Trans proline' 0 C--N 1.355 0.903 0 C-N-CA 122.144 1.896 . . . . 0.0 112.165 173.231 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 14.5 m-20 -77.85 -30.46 50.95 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.5 179.539 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 99' ' ' LEU . . . . . 0.413 HD13 ' C ' ' A' ' 99' ' ' LEU . 3.2 tm? -60.19 -50.51 73.39 Favored 'General case' 0 C--N 1.329 -0.295 0 N-CA-C 109.12 -0.696 . . . . 0.0 109.12 172.472 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 100' ' ' ALA . . . . . . . . . . . . . . . -62.04 -36.98 83.25 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 115.808 -0.633 . . . . 0.0 110.581 178.004 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 9.5 t70 -60.02 -55.75 30.15 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 115.754 -0.657 . . . . 0.0 110.876 177.894 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -64.26 -42.16 96.6 Favored 'General case' 0 C--N 1.323 -0.563 0 CA-C-N 115.686 -0.688 . . . . 0.0 110.929 -177.873 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 103' ' ' MET . . . . . 0.509 ' HE3' HG21 ' A' ' 59' ' ' ILE . 50.6 ttm -63.86 -31.0 72.03 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.018 -0.537 . . . . 0.0 110.979 179.893 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 104' ' ' LYS . . . . . . . . . . . . . 50.5 tttm . . . . . 0 C--N 1.326 -0.414 0 CA-C-N 116.289 -0.414 . . . . 0.0 110.528 177.429 . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 5' ' ' ASN . . . . . 0.406 ' N ' HD21 ' A' ' 5' ' ' ASN . 0.9 OUTLIER . . . . . 0 C--O 1.232 0.147 0 CA-C-O 120.652 0.263 . . . . 0.0 111.224 . . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 6' ' ' SER . . . . . 0.542 ' HA ' ' HA ' ' A' ' 46' ' ' GLU . 49.8 m -65.71 145.23 56.27 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-O 120.7 0.286 . . . . 0.0 110.242 176.555 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 7' ' ' PHE . . . . . . . . . . . . . 45.2 t80 -56.05 -42.21 76.26 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 115.915 -0.584 . . . . 0.0 111.0 -176.457 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 45.7 t -53.61 -38.86 64.42 Favored 'General case' 0 C--O 1.234 0.248 0 CA-C-N 116.38 -0.373 . . . . 0.0 111.619 179.11 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -70.57 -50.18 40.02 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.007 -176.722 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 80.5 mt -69.9 -38.47 75.69 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 CA-C-N 115.936 -0.574 . . . . 0.0 110.651 -178.558 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 43.6 t80 -56.97 -41.73 78.88 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.812 175.457 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 66.4 tttm -66.22 -43.33 87.0 Favored 'General case' 0 C--N 1.329 -0.294 0 C-N-CA 120.711 -0.396 . . . . 0.0 110.673 -179.56 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 37.1 tt0 -63.32 -44.93 93.53 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.865 0.364 . . . . 0.0 110.253 178.478 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 14' ' ' TRP . . . . . . . . . . . . . 66.0 t90 -60.03 -50.29 74.32 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 115.87 -0.605 . . . . 0.0 110.525 177.028 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 15' ' ' TYR . . . . . 0.445 ' CE1' ' HB3' ' A' ' 31' ' ' ALA . 17.8 t80 -60.18 -48.05 83.37 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.179 178.331 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 28.9 tt0 -63.5 -35.91 82.04 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-O 121.06 0.457 . . . . 0.0 110.469 -176.602 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 17' ' ' HIS . . . . . . . . . . . . . 63.7 t60 -71.81 -44.26 64.23 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 115.827 -0.624 . . . . 0.0 110.423 178.082 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 24.7 mmtm -73.57 -19.18 60.96 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.342 -0.39 . . . . 0.0 111.51 179.5 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 63.8 tttm -65.77 -19.16 65.79 Favored 'General case' 0 C--N 1.324 -0.543 0 CA-C-O 121.267 0.556 . . . . 0.0 109.977 177.699 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 71.6 mt-30 -88.03 -8.77 55.11 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 115.744 -0.662 . . . . 0.0 110.326 177.994 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 57.4 t -102.45 -47.95 10.95 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 CA-C-N 116.026 -0.534 . . . . 0.0 111.171 -176.12 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 22' ' ' TRP . . . . . . . . . . . . . 10.5 m0 -86.23 172.59 10.39 Favored 'General case' 0 C--N 1.322 -0.614 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.934 -177.562 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 43.6 m -78.37 152.87 32.06 Favored 'General case' 0 C--N 1.324 -0.507 0 N-CA-C 109.232 -0.655 . . . . 0.0 109.232 171.957 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 8.4 p -61.44 -31.09 49.51 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-O 120.591 0.234 . . . . 0.0 111.472 -174.237 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -64.59 -57.25 13.22 Favored Glycine 0 C--N 1.331 0.261 0 C-N-CA 120.859 -0.686 . . . . 0.0 112.075 178.689 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 26' ' ' TYR . . . . . . . . . . . . . 64.5 t80 -57.69 -41.77 82.31 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-O 120.778 0.323 . . . . 0.0 110.564 176.947 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -61.16 -45.04 96.28 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.01 -0.541 . . . . 0.0 111.359 -179.199 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 58.6 m -62.97 -45.72 91.11 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-O 120.897 0.38 . . . . 0.0 110.73 179.216 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 15.2 tp10 -58.64 -52.57 65.12 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 115.729 -0.668 . . . . 0.0 110.891 -179.577 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 30' ' ' LEU . . . . . 0.555 ' HA ' ' HE2' ' A' ' 33' ' ' MET . 10.4 tt -63.9 -43.5 95.79 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 115.737 -0.665 . . . . 0.0 110.47 -178.274 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 31' ' ' ALA . . . . . 0.445 ' HB3' ' CE1' ' A' ' 15' ' ' TYR . . . -64.62 -42.84 95.23 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 116.074 -0.512 . . . . 0.0 111.794 -177.104 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 32' ' ' LYS . . . . . 0.451 ' O ' ' HB2' ' A' ' 36' ' ' ASP . 56.4 tttp -65.02 -53.2 49.77 Favored 'General case' 0 C--O 1.22 -0.477 0 C-N-CA 120.191 -0.604 . . . . 0.0 111.19 -176.423 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 33' ' ' MET . . . . . 0.555 ' HE2' ' HA ' ' A' ' 30' ' ' LEU . 26.2 ptt? -58.36 -39.46 79.62 Favored 'General case' 0 C--O 1.236 0.345 0 C-N-CA 120.694 -0.402 . . . . 0.0 110.814 -177.279 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 34' ' ' PHE . . . . . 0.434 ' CD2' HD13 ' A' ' 38' ' ' ILE . 0.2 OUTLIER -66.38 -56.26 11.9 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 115.875 -0.602 . . . . 0.0 110.483 179.26 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 35' ' ' ASP . . . . . 0.933 ' HA ' HD23 ' A' ' 39' ' ' LEU . 14.2 t70 -62.05 -48.55 79.75 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-O 120.906 0.384 . . . . 0.0 111.616 -179.0 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 36' ' ' ASP . . . . . 0.451 ' HB2' ' O ' ' A' ' 32' ' ' LYS . 4.4 t70 -57.16 -43.55 82.64 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-N 115.7 -0.682 . . . . 0.0 111.865 -173.454 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -100.02 -44.33 6.05 Favored 'General case' 0 C--N 1.328 -0.353 0 N-CA-C 112.657 0.614 . . . . 0.0 112.657 -175.427 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 38' ' ' ILE . . . . . 0.535 HG12 HG12 ' A' ' 58' ' ' VAL . 34.2 mt -79.05 -33.0 15.59 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 N-CA-C 112.632 0.604 . . . . 0.0 112.632 -169.848 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 39' ' ' LEU . . . . . 0.933 HD23 ' HA ' ' A' ' 35' ' ' ASP . 2.5 mm? -59.68 -48.2 95.85 Favored Pre-proline 0 CA--C 1.536 0.435 0 N-CA-C 112.206 0.447 . . . . 0.0 112.206 -178.399 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 31.6 Cg_exo -62.04 -16.42 49.98 Favored 'Trans proline' 0 C--N 1.351 0.663 0 C-N-CA 121.87 1.713 . . . . 0.0 113.133 175.428 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 41' ' ' ILE . . . . . 0.579 HG23 HG23 ' A' ' 42' ' ' ILE . 66.4 mt -91.95 -58.48 3.57 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.211 0 N-CA-C 111.644 0.238 . . . . 0.0 111.644 -177.561 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 42' ' ' ILE . . . . . 0.579 HG23 HG23 ' A' ' 41' ' ' ILE . 12.2 pt -128.6 3.69 2.95 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.287 0 N-CA-C 111.956 0.354 . . . . 0.0 111.956 -177.835 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 43' ' ' GLY . . . . . 0.506 ' HA3' HD12 ' A' ' 39' ' ' LEU . . . -60.7 -35.56 89.94 Favored Glycine 0 N--CA 1.452 -0.265 0 C-N-CA 120.712 -0.756 . . . . 0.0 112.56 -176.676 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -89.92 5.23 83.4 Favored Glycine 0 N--CA 1.446 -0.676 0 C-N-CA 120.887 -0.673 . . . . 0.0 112.57 179.776 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 96.0 mt -95.63 148.35 22.63 Favored 'General case' 0 C--N 1.328 -0.33 0 N-CA-C 110.039 -0.356 . . . . 0.0 110.039 -179.67 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 46' ' ' GLU . . . . . 0.542 ' HA ' ' HA ' ' A' ' 6' ' ' SER . 36.2 mt-10 -76.79 130.25 37.41 Favored 'General case' 0 C--N 1.322 -0.62 0 N-CA-C 109.062 -0.718 . . . . 0.0 109.062 176.786 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 47' ' ' ILE . . . . . 0.519 HD13 ' HA ' ' A' ' 82' ' ' PHE . 15.4 tt -59.56 -20.67 19.18 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 CA-C-N 116.015 -0.539 . . . . 0.0 111.978 -170.52 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 84.9 mt-30 -78.26 -28.76 47.76 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 116.495 -0.32 . . . . 0.0 111.135 -179.905 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 25.2 m-20 -109.31 10.19 25.63 Favored 'General case' 0 C--N 1.329 -0.286 0 N-CA-C 112.132 0.419 . . . . 0.0 112.132 -171.507 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 50' ' ' ILE . . . . . . . . . . . . . 63.9 mt -67.41 125.56 25.19 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.562 0 CA-C-O 120.827 0.346 . . . . 0.0 110.179 177.432 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 51' ' ' GLU . . . . . 0.526 ' HG3' ' HB2' ' A' ' 54' ' ' GLN . 4.6 pt-20 -87.31 155.5 54.43 Favored Pre-proline 0 C--N 1.325 -0.494 0 CA-C-N 115.91 -0.586 . . . . 0.0 110.913 -177.236 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 52' ' ' PRO . . . . . 0.404 ' HD2' ' HB2' ' A' ' 51' ' ' GLU . 12.5 Cg_endo -56.1 -42.57 65.13 Favored 'Trans proline' 0 C--N 1.346 0.402 0 C-N-CA 123.205 2.603 . . . . 0.0 113.223 -178.321 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 53' ' ' MET . . . . . . . . . . . . . 63.9 mtt -78.95 -15.33 58.44 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.585 0.231 . . . . 0.0 111.568 -175.736 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 54' ' ' GLN . . . . . 0.526 ' HB2' ' HG3' ' A' ' 51' ' ' GLU . 41.8 tp60 -84.7 -37.73 20.6 Favored 'General case' 0 C--N 1.328 -0.368 0 N-CA-C 109.399 -0.593 . . . . 0.0 109.399 176.907 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 55' ' ' LEU . . . . . 0.415 ' O ' ' HB ' ' A' ' 58' ' ' VAL . 33.0 tp -68.81 -33.61 74.14 Favored 'General case' 0 C--N 1.326 -0.435 0 N-CA-C 108.691 -0.855 . . . . 0.0 108.691 172.597 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 47.0 tp -69.13 -26.91 65.13 Favored 'General case' 0 C--O 1.221 -0.437 0 CA-C-N 115.505 -0.771 . . . . 0.0 110.054 174.239 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 8.5 tt0 -65.07 -36.98 86.05 Favored 'General case' 0 C--N 1.329 -0.292 0 N-CA-C 109.429 -0.582 . . . . 0.0 109.429 176.788 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 58' ' ' VAL . . . . . 0.543 ' O ' ' HB3' ' A' ' 61' ' ' ARG . 38.5 t -59.46 -50.8 78.57 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 CA-C-N 115.579 -0.737 . . . . 0.0 110.699 173.08 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 59' ' ' ILE . . . . . 0.409 HG22 ' HE1' ' A' ' 103' ' ' MET . 31.8 mm -68.74 -37.95 78.2 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.531 0 CA-C-N 116.424 -0.353 . . . . 0.0 110.354 -179.281 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 60' ' ' ARG . . . . . 0.405 HH11 ' HD2' ' A' ' 60' ' ' ARG . 40.6 ttp85 -57.39 -36.42 71.27 Favored 'General case' 0 C--N 1.332 -0.171 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.172 174.081 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 61' ' ' ARG . . . . . 0.543 ' HB3' ' O ' ' A' ' 58' ' ' VAL . 24.8 tpt180 -59.27 -47.2 86.25 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 115.788 -0.642 . . . . 0.0 110.423 175.95 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 62' ' ' PHE . . . . . 0.465 ' O ' ' HB2' ' A' ' 65' ' ' ARG . 61.7 m-85 -70.18 -32.65 70.67 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.339 -0.391 . . . . 0.0 111.401 179.279 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 63' ' ' GLU . . . . . 0.768 ' HG3' ' HE3' ' A' ' 68' ' ' MET . 34.3 tt0 -64.98 -46.43 81.48 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 121.062 0.458 . . . . 0.0 110.137 175.201 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 35.4 t70 -65.68 -25.29 67.27 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 115.459 -0.791 . . . . 0.0 110.574 179.078 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 65' ' ' ARG . . . . . 0.465 ' HB2' ' O ' ' A' ' 62' ' ' PHE . 28.1 mtt-85 -64.75 -37.15 86.62 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 115.881 -0.6 . . . . 0.0 111.122 173.574 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 98.05 -1.54 59.38 Favored Glycine 0 N--CA 1.445 -0.702 0 N-CA-C 110.233 -1.147 . . . . 0.0 110.233 -169.194 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -90.1 72.47 7.31 Favored 'General case' 0 N--CA 1.452 -0.346 0 CA-C-N 115.132 -0.534 . . . . 0.0 109.64 178.236 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 68' ' ' MET . . . . . 0.768 ' HE3' ' HG3' ' A' ' 63' ' ' GLU . 69.1 mmm -69.82 -37.9 76.39 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-N 115.769 -0.65 . . . . 0.0 111.026 -173.897 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 27.1 mt-10 -67.68 -38.89 84.32 Favored 'General case' 0 C--N 1.321 -0.636 0 CA-C-N 115.986 -0.552 . . . . 0.0 110.499 -179.406 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 70' ' ' ARG . . . . . 0.471 ' HD2' ' SD ' ' A' ' 33' ' ' MET . 72.7 mtm180 -78.87 -17.31 55.8 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.337 -0.392 . . . . 0.0 111.004 176.57 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -68.59 -44.91 73.34 Favored 'General case' 0 C--N 1.332 -0.195 0 CA-C-O 121.147 0.498 . . . . 0.0 110.104 174.673 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 72' ' ' ASN . . . . . . . . . . . . . 38.9 m-80 -65.16 -36.36 83.98 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 115.714 -0.675 . . . . 0.0 109.988 175.306 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 84.6 tttt -67.5 -40.11 85.19 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.01 -0.541 . . . . 0.0 110.669 178.34 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -54.44 -43.46 71.63 Favored 'General case' 0 CA--C 1.521 -0.138 0 CA-C-O 120.86 0.362 . . . . 0.0 110.347 176.213 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 28.2 ttm180 -57.71 -51.99 67.28 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 115.654 -0.703 . . . . 0.0 110.952 179.377 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 34.9 ttm180 -64.04 -45.26 89.65 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 115.919 -0.582 . . . . 0.0 111.35 -176.906 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 77' ' ' ARG . . . . . 0.4 HH11 ' HD2' ' A' ' 77' ' ' ARG . 2.0 mmp_? -65.71 -42.25 91.32 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.502 -0.317 . . . . 0.0 111.046 -177.776 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 78' ' ' CYS . . . . . 0.503 ' O ' ' HD1' ' A' ' 82' ' ' PHE . 80.7 m -62.6 -45.43 92.91 Favored 'General case' 0 C--N 1.333 -0.127 0 C-N-CA 121.255 -0.178 . . . . 0.0 110.54 178.575 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . -57.95 -34.42 71.99 Favored Glycine 0 C--N 1.333 0.412 0 C-N-CA 120.84 -0.695 . . . . 0.0 111.979 177.508 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 31.0 tt0 -67.11 -39.75 86.74 Favored 'General case' 0 C--N 1.329 -0.299 0 N-CA-C 110.115 -0.328 . . . . 0.0 110.115 177.237 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 89.3 t -63.11 -44.76 99.65 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.196 0 CA-C-O 120.839 0.352 . . . . 0.0 110.483 177.02 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 82' ' ' PHE . . . . . 0.519 ' HA ' HD13 ' A' ' 47' ' ' ILE . 47.9 m-85 -58.9 -47.16 85.95 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.649 177.181 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 83' ' ' ARG . . . . . 0.42 ' HA ' HD12 ' A' ' 86' ' ' ILE . 20.7 ttp85 -68.07 -33.81 75.25 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.334 -0.393 . . . . 0.0 110.586 -179.972 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 84' ' ' TYR . . . . . . . . . . . . . 21.8 t80 -59.55 -41.24 89.64 Favored 'General case' 0 C--N 1.329 -0.29 0 N-CA-C 109.419 -0.585 . . . . 0.0 109.419 176.098 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 85' ' ' ALA . . . . . 0.494 ' HA ' ' OG1' ' A' ' 88' ' ' THR . . . -69.25 -30.96 69.21 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-N 115.438 -0.801 . . . . 0.0 111.034 177.88 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 86' ' ' ILE . . . . . 0.492 HG13 ' O ' ' A' ' 82' ' ' PHE . 73.1 mt -64.55 -47.08 90.63 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.397 0 CA-C-O 121.095 0.474 . . . . 0.0 109.987 175.991 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 87' ' ' VAL . . . . . 0.404 HG22 ' O ' ' A' ' 83' ' ' ARG . 54.3 t -65.4 -35.09 74.48 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.364 0 CA-C-N 115.735 -0.666 . . . . 0.0 111.003 179.537 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 88' ' ' THR . . . . . 0.494 ' OG1' ' HA ' ' A' ' 85' ' ' ALA . 17.2 p -83.57 2.85 35.18 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 116.43 -0.35 . . . . 0.0 111.651 -179.11 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . 70.57 41.24 65.96 Favored Glycine 0 C--N 1.332 0.339 0 C-N-CA 121.088 -0.577 . . . . 0.0 112.578 176.573 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 76.9 mtt180 -124.29 -29.05 3.59 Favored 'General case' 0 C--N 1.323 -0.56 0 CA-C-O 120.751 0.31 . . . . 0.0 110.971 -179.463 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . -118.42 137.38 53.19 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-O 120.866 0.365 . . . . 0.0 110.8 179.786 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 77.9 tttt -104.82 -37.25 7.1 Favored 'General case' 0 C--N 1.321 -0.632 0 CA-C-N 115.846 -0.615 . . . . 0.0 110.844 178.655 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 93' ' ' TYR . . . . . . . . . . . . . 91.6 t80 -139.0 137.56 36.45 Favored 'General case' 0 C--N 1.324 -0.531 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.853 -176.169 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 94' ' ' ASN . . . . . . . . . . . . . 10.2 p30 -113.49 138.75 22.66 Favored Pre-proline 0 C--N 1.326 -0.426 0 N-CA-C 109.508 -0.553 . . . . 0.0 109.508 174.77 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 95' ' ' PRO . . . . . . . . . . . . . 85.1 Cg_endo -82.17 28.54 0.56 Allowed 'Trans proline' 0 N--CA 1.463 -0.317 0 C-N-CA 122.72 2.28 . . . . 0.0 112.464 179.689 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 96' ' ' ALA . . . . . 0.566 ' N ' ' HD2' ' A' ' 97' ' ' PRO . . . -65.6 -45.53 67.6 Favored Pre-proline 0 CA--C 1.537 0.475 0 N-CA-C 112.577 0.584 . . . . 0.0 112.577 -177.739 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 97' ' ' PRO . . . . . 0.566 ' HD2' ' N ' ' A' ' 96' ' ' ALA . 5.7 Cg_endo -51.53 -45.74 35.87 Favored 'Trans proline' 0 C--N 1.358 1.035 0 C-N-CA 122.093 1.862 . . . . 0.0 112.486 175.06 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 8.4 m-20 -80.52 -21.27 42.03 Favored 'General case' 0 C--O 1.224 -0.261 0 C-N-CA 121.096 -0.241 . . . . 0.0 111.353 179.104 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 99' ' ' LEU . . . . . 0.429 ' HB3' ' O ' ' A' ' 96' ' ' ALA . 2.5 tm? -59.68 -50.43 73.88 Favored 'General case' 0 C--N 1.327 -0.403 0 N-CA-C 109.219 -0.66 . . . . 0.0 109.219 173.603 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 100' ' ' ALA . . . . . . . . . . . . . . . -68.71 -34.73 76.14 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 115.684 -0.689 . . . . 0.0 110.662 179.038 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 30.3 t70 -69.82 -41.21 75.29 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 116.013 -0.54 . . . . 0.0 111.151 -178.684 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -66.58 -48.22 70.29 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.287 178.036 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 103' ' ' MET . . . . . 0.409 ' HE1' HG22 ' A' ' 59' ' ' ILE . 38.3 ttm -50.63 -47.13 58.52 Favored 'General case' 0 N--CA 1.464 0.266 0 CA-C-N 116.005 -0.543 . . . . 0.0 111.111 171.767 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 104' ' ' LYS . . . . . . . . . . . . . 36.2 tttm . . . . . 0 C--N 1.325 -0.493 0 CA-C-N 115.546 -0.752 . . . . 0.0 111.217 179.427 . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 83.8 m-20 . . . . . 0 C--O 1.233 0.22 0 CA-C-O 120.94 0.4 . . . . 0.0 110.728 . . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 61.8 m -62.92 141.43 58.71 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 115.976 -0.556 . . . . 0.0 109.797 175.668 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 7' ' ' PHE . . . . . 0.649 ' HE1' ' HZ ' ' A' ' 34' ' ' PHE . 5.3 t80 -58.54 -43.84 89.43 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 116.375 -0.375 . . . . 0.0 110.716 -175.972 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 50.1 m -57.59 -39.31 76.53 Favored 'General case' 0 CA--C 1.531 0.245 0 CA-C-N 116.488 -0.324 . . . . 0.0 111.674 178.973 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -66.11 -51.49 57.45 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.998 0.428 . . . . 0.0 110.942 -177.241 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 57.6 mt -66.07 -35.29 74.68 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.396 0 CA-C-N 115.963 -0.562 . . . . 0.0 110.516 -179.343 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 11' ' ' TYR . . . . . 0.529 ' OH ' ' HA ' ' A' ' 31' ' ' ALA . 90.8 t80 -61.08 -42.94 99.43 Favored 'General case' 0 C--O 1.223 -0.31 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.582 176.319 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 84.1 tttt -65.21 -34.29 78.01 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-O 120.646 0.26 . . . . 0.0 111.167 -176.904 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 47.4 tt0 -66.46 -51.17 59.66 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 121.175 0.512 . . . . 0.0 109.899 176.015 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 14' ' ' TRP . . . . . 0.413 ' HZ3' ' CE1' ' A' ' 11' ' ' TYR . 62.6 t90 -61.34 -45.46 94.32 Favored 'General case' 0 C--O 1.237 0.427 0 CA-C-N 115.286 -0.87 . . . . 0.0 110.999 179.111 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 15' ' ' TYR . . . . . 0.479 ' CE1' ' HB3' ' A' ' 31' ' ' ALA . 22.0 t80 -58.09 -56.2 25.07 Favored 'General case' 0 C--O 1.224 -0.287 0 CA-C-N 116.046 -0.525 . . . . 0.0 111.345 179.859 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 21.5 tt0 -63.97 -23.96 67.54 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.899 0.38 . . . . 0.0 110.668 -173.924 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 17' ' ' HIS . . . . . . . . . . . . . 75.4 t60 -69.78 -58.73 3.55 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-O 121.03 0.443 . . . . 0.0 110.419 175.289 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 81.5 mttt -77.89 -3.78 43.41 Favored 'General case' 0 C--N 1.329 -0.286 0 N-CA-C 111.776 0.287 . . . . 0.0 111.776 -177.035 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 83.7 tttt -64.27 -21.9 66.76 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-O 121.165 0.507 . . . . 0.0 109.892 174.997 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 92.6 mt-30 -85.86 -15.3 42.28 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 115.833 -0.621 . . . . 0.0 110.474 178.206 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 52.1 t -88.13 -53.48 9.67 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.385 0 CA-C-O 121.209 0.528 . . . . 0.0 110.358 -178.523 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 22' ' ' TRP . . . . . . . . . . . . . 8.0 m0 -78.41 171.65 14.78 Favored 'General case' 0 C--N 1.321 -0.662 0 CA-C-N 115.764 -0.653 . . . . 0.0 110.111 -179.865 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 36.4 p -73.94 149.02 41.64 Favored 'General case' 0 C--N 1.32 -0.693 0 N-CA-C 109.592 -0.521 . . . . 0.0 109.592 175.945 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 11.4 p -59.28 -36.15 61.95 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.392 0 CA-C-O 120.682 0.277 . . . . 0.0 111.236 -177.238 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -67.28 -42.85 90.05 Favored Glycine 0 N--CA 1.449 -0.459 0 C-N-CA 120.928 -0.653 . . . . 0.0 111.761 179.08 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 26' ' ' TYR . . . . . . . . . . . . . 70.1 t80 -70.61 -41.14 72.68 Favored 'General case' 0 C--N 1.325 -0.493 0 N-CA-C 110.257 -0.275 . . . . 0.0 110.257 179.023 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -62.47 -42.96 99.85 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.308 -0.406 . . . . 0.0 111.026 -179.368 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 61.5 m -62.21 -44.41 96.64 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.3 -0.409 . . . . 0.0 110.655 178.442 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 29' ' ' GLU . . . . . 0.586 ' O ' ' HG3' ' A' ' 33' ' ' MET . 10.8 tp10 -67.43 -46.19 73.87 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.41 -0.359 . . . . 0.0 110.572 -179.821 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 30' ' ' LEU . . . . . 0.734 ' HA ' ' HE2' ' A' ' 33' ' ' MET . 10.3 tt -57.1 -47.51 80.89 Favored 'General case' 0 C--O 1.235 0.294 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.58 -179.95 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 31' ' ' ALA . . . . . 0.529 ' HA ' ' OH ' ' A' ' 11' ' ' TYR . . . -65.55 -37.39 86.58 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 116.356 -0.384 . . . . 0.0 110.656 179.307 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 32' ' ' LYS . . . . . 0.504 ' O ' ' HB2' ' A' ' 36' ' ' ASP . 54.0 tttm -63.37 -44.32 95.1 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.547 -0.297 . . . . 0.0 110.688 178.076 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 33' ' ' MET . . . . . 0.734 ' HE2' ' HA ' ' A' ' 30' ' ' LEU . 38.2 mtm -57.06 -40.97 77.89 Favored 'General case' 0 N--CA 1.464 0.245 0 CA-C-O 121.433 0.635 . . . . 0.0 110.314 178.194 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 34' ' ' PHE . . . . . 0.675 ' O ' ' HB ' ' A' ' 38' ' ' ILE . 8.3 t80 -71.23 -45.65 62.82 Favored 'General case' 0 N--CA 1.449 -0.48 0 CA-C-N 115.355 -0.838 . . . . 0.0 110.016 -177.179 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 35' ' ' ASP . . . . . 0.872 ' HA ' ' HG ' ' A' ' 39' ' ' LEU . 10.5 t70 -58.74 -58.52 8.21 Favored 'General case' 0 C--N 1.322 -0.6 0 CA-C-N 115.773 -0.649 . . . . 0.0 110.023 176.188 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 36' ' ' ASP . . . . . 0.504 ' HB2' ' O ' ' A' ' 32' ' ' LYS . 1.0 OUTLIER -52.67 -46.19 67.09 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 114.441 -1.254 . . . . 0.0 113.33 -170.979 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 37' ' ' ASP . . . . . 0.405 ' O ' HG12 ' A' ' 41' ' ' ILE . 37.8 m-20 -110.96 -42.84 3.88 Favored 'General case' 0 C--N 1.326 -0.444 0 N-CA-C 112.506 0.558 . . . . 0.0 112.506 -172.479 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 38' ' ' ILE . . . . . 0.675 ' HB ' ' O ' ' A' ' 34' ' ' PHE . 1.5 mp -69.65 -39.82 78.64 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 CA-C-O 120.418 0.152 . . . . 0.0 111.31 -174.75 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 39' ' ' LEU . . . . . 0.872 ' HG ' ' HA ' ' A' ' 35' ' ' ASP . 13.7 mt -63.7 -47.28 82.31 Favored Pre-proline 0 CA--C 1.534 0.34 0 N-CA-C 112.796 0.665 . . . . 0.0 112.796 -172.926 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 40' ' ' PRO . . . . . 0.437 ' HD3' ' HB2' ' A' ' 39' ' ' LEU . 55.6 Cg_exo -54.99 -26.62 50.35 Favored 'Trans proline' 0 C--N 1.351 0.696 0 C-N-CA 121.862 1.708 . . . . 0.0 112.542 175.019 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 41' ' ' ILE . . . . . 0.52 HG22 HG23 ' A' ' 42' ' ' ILE . 31.6 mm -88.82 -64.03 1.21 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.352 0 CA-C-N 116.663 -0.244 . . . . 0.0 111.299 -176.391 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 42' ' ' ILE . . . . . 0.52 HG23 HG22 ' A' ' 41' ' ' ILE . 11.3 pt -128.82 8.4 2.75 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.256 0 N-CA-C 112.532 0.568 . . . . 0.0 112.532 -174.725 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 43' ' ' GLY . . . . . 0.527 ' HA3' ' HA ' ' A' ' 39' ' ' LEU . . . -61.7 -38.63 96.21 Favored Glycine 0 C--O 1.237 0.32 0 C-N-CA 120.483 -0.865 . . . . 0.0 112.848 -176.204 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -89.53 9.11 78.27 Favored Glycine 0 N--CA 1.445 -0.736 0 C-N-CA 120.816 -0.707 . . . . 0.0 112.301 -178.937 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 45' ' ' LEU . . . . . 0.446 HD11 ' HA ' ' A' ' 42' ' ' ILE . 96.6 mt -94.63 157.04 16.14 Favored 'General case' 0 C--N 1.327 -0.391 0 N-CA-C 109.923 -0.399 . . . . 0.0 109.923 178.432 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 44.1 mt-10 -81.15 140.8 34.78 Favored 'General case' 0 C--N 1.323 -0.572 0 N-CA-C 109.331 -0.618 . . . . 0.0 109.331 175.964 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 47' ' ' ILE . . . . . 0.49 HD13 ' HB3' ' A' ' 85' ' ' ALA . 15.5 tt -65.94 -12.96 14.97 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.699 0 CA-C-O 121.367 0.603 . . . . 0.0 111.113 -176.921 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 86.7 mt-30 -89.49 -14.61 34.89 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 115.943 -0.572 . . . . 0.0 110.907 179.903 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 20.1 t70 -139.79 83.18 1.91 Allowed 'General case' 0 C--N 1.323 -0.545 0 CA-C-O 121.148 0.499 . . . . 0.0 110.62 -174.706 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 50' ' ' ILE . . . . . . . . . . . . . 77.3 mt -134.12 131.04 55.36 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 CA-C-N 115.493 -0.776 . . . . 0.0 109.867 177.307 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 39.1 mt-10 -76.88 138.94 65.68 Favored Pre-proline 0 C--N 1.324 -0.533 0 CA-C-N 116.461 -0.336 . . . . 0.0 110.498 179.759 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 52' ' ' PRO . . . . . 0.472 ' HB3' ' HB3' ' A' ' 98' ' ' ASP . 9.4 Cg_endo -54.21 -37.51 87.86 Favored 'Trans proline' 0 C--N 1.344 0.338 0 C-N-CA 122.78 2.32 . . . . 0.0 112.313 177.727 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 53' ' ' MET . . . . . . . . . . . . . 92.0 mmm -67.88 -30.1 69.37 Favored 'General case' 0 C--N 1.332 -0.187 0 CA-C-N 116.561 -0.291 . . . . 0.0 111.247 179.443 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 78.5 mt-30 -74.33 -36.77 63.69 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-O 120.978 0.418 . . . . 0.0 110.531 177.407 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 55' ' ' LEU . . . . . 0.662 HD22 ' HB2' ' A' ' 99' ' ' LEU . 19.9 tp -67.02 -36.38 81.99 Favored 'General case' 0 C--N 1.322 -0.625 0 N-CA-C 109.145 -0.687 . . . . 0.0 109.145 175.417 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 56' ' ' LEU . . . . . 0.475 HD21 ' O ' ' A' ' 56' ' ' LEU . 1.9 tm? -69.57 -34.47 74.22 Favored 'General case' 0 C--O 1.219 -0.533 0 CA-C-N 115.611 -0.722 . . . . 0.0 109.86 175.451 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 34.0 tt0 -61.26 -32.87 72.69 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.94 0.4 . . . . 0.0 110.262 177.668 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 58' ' ' VAL . . . . . 0.46 ' O ' ' HB3' ' A' ' 61' ' ' ARG . 75.8 t -64.54 -54.57 28.81 Favored 'Isoleucine or valine' 0 C--O 1.237 0.422 0 CA-C-O 121.336 0.589 . . . . 0.0 110.601 174.611 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 59' ' ' ILE . . . . . 0.403 HG22 ' HE2' ' A' ' 103' ' ' MET . 1.7 mp -58.76 -41.59 82.96 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 CA-C-N 115.675 -0.693 . . . . 0.0 110.025 177.271 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 17.6 tpt180 -66.3 -30.26 70.64 Favored 'General case' 0 C--N 1.324 -0.524 0 CA-C-N 115.292 -0.867 . . . . 0.0 110.438 -179.516 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 61' ' ' ARG . . . . . 0.46 ' HB3' ' O ' ' A' ' 58' ' ' VAL . 8.7 tpt180 -59.37 -43.06 92.94 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 115.993 -0.549 . . . . 0.0 109.627 175.355 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 62' ' ' PHE . . . . . . . . . . . . . 77.0 m-85 -73.11 -27.8 61.9 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.043 -0.526 . . . . 0.0 111.467 177.102 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 63' ' ' GLU . . . . . 0.432 ' HG2' ' HE2' ' A' ' 68' ' ' MET . 30.7 mt-10 -70.89 -34.8 71.93 Favored 'General case' 0 C--N 1.327 -0.408 0 C-N-CA 121.088 -0.245 . . . . 0.0 110.712 175.698 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 13.6 t70 -62.33 -40.74 97.35 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 121.17 0.51 . . . . 0.0 109.705 173.213 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 30.2 ttm180 -65.1 -28.7 69.63 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 115.361 -0.836 . . . . 0.0 110.417 174.109 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 89.33 27.81 21.75 Favored Glycine 0 N--CA 1.447 -0.593 0 C-N-CA 120.999 -0.62 . . . . 0.0 112.198 178.114 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -111.42 94.35 4.93 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-O 120.745 0.307 . . . . 0.0 110.495 -179.127 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 68' ' ' MET . . . . . 0.882 ' HE1' ' HA ' ' A' ' 68' ' ' MET . 13.7 mmt -64.34 -51.28 64.16 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.11 -0.495 . . . . 0.0 111.413 -177.503 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 69' ' ' GLU . . . . . 0.463 ' O ' ' HG3' ' A' ' 73' ' ' LYS . 51.7 mt-10 -55.14 -48.28 73.91 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 115.675 -0.693 . . . . 0.0 110.68 179.796 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 25.5 ttm180 -73.57 -21.7 60.28 Favored 'General case' 0 C--N 1.322 -0.601 0 CA-C-N 115.546 -0.752 . . . . 0.0 111.359 -173.781 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -68.79 -45.77 70.43 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-O 120.929 0.395 . . . . 0.0 110.366 176.446 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 72' ' ' ASN . . . . . . . . . . . . . 86.2 m-20 -69.34 -31.58 70.12 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.74 178.006 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 73' ' ' LYS . . . . . 0.463 ' HG3' ' O ' ' A' ' 69' ' ' GLU . 99.3 mttt -68.29 -34.19 75.71 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.569 178.125 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -59.22 -52.65 64.75 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.871 0.367 . . . . 0.0 110.049 170.461 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 57.5 ttt180 -54.41 -50.69 67.0 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 115.235 -0.893 . . . . 0.0 111.713 -179.797 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 30.6 ttp180 -63.38 -36.11 82.62 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.359 -0.382 . . . . 0.0 111.118 -175.969 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 77' ' ' ARG . . . . . 0.503 ' O ' HG21 ' A' ' 81' ' ' VAL . 78.3 mtm180 -69.11 -51.11 41.84 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.45 -0.341 . . . . 0.0 110.576 178.527 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 78' ' ' CYS . . . . . . . . . . . . . 77.8 m -56.83 -45.19 82.51 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.827 0.346 . . . . 0.0 110.436 178.324 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . -60.46 -34.62 86.2 Favored Glycine 0 N--CA 1.45 -0.372 0 CA-C-N 115.997 -0.547 . . . . 0.0 112.63 178.304 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 30.0 tt0 -75.4 -32.87 60.9 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.747 0.274 . . . . 0.0 110.346 179.759 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 81' ' ' VAL . . . . . 0.503 HG21 ' O ' ' A' ' 77' ' ' ARG . 63.9 t -64.87 -41.88 93.35 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 N-CA-C 109.673 -0.492 . . . . 0.0 109.673 174.372 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 82' ' ' PHE . . . . . 0.551 ' HB3' ' HB3' ' A' ' 94' ' ' ASN . 43.9 m-85 -59.47 -45.43 91.65 Favored 'General case' 0 C--N 1.332 -0.162 0 CA-C-O 121.104 0.478 . . . . 0.0 110.261 173.177 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 83' ' ' ARG . . . . . 0.465 ' O ' HG22 ' A' ' 87' ' ' VAL . 79.6 ttt180 -59.14 -44.72 92.09 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 115.772 -0.649 . . . . 0.0 110.5 177.207 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 84' ' ' TYR . . . . . . . . . . . . . 48.7 t80 -58.41 -39.29 79.34 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 115.771 -0.649 . . . . 0.0 110.253 178.099 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 85' ' ' ALA . . . . . 0.49 ' HB3' HD13 ' A' ' 47' ' ' ILE . . . -68.19 -36.37 79.47 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 115.94 -0.573 . . . . 0.0 111.07 178.759 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 86' ' ' ILE . . . . . 0.428 HG13 ' O ' ' A' ' 82' ' ' PHE . 77.0 mt -62.72 -42.72 97.24 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 CA-C-O 120.944 0.402 . . . . 0.0 110.059 175.885 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 87' ' ' VAL . . . . . 0.465 HG22 ' O ' ' A' ' 83' ' ' ARG . 46.7 t -66.72 -37.35 79.32 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.392 0 CA-C-N 116.105 -0.498 . . . . 0.0 111.013 178.599 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 88' ' ' THR . . . . . 0.44 ' OG1' ' HA ' ' A' ' 85' ' ' ALA . 19.4 p -84.59 -0.22 52.48 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.538 -178.281 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . 72.53 17.72 78.05 Favored Glycine 0 C--N 1.331 0.297 0 C-N-CA 120.912 -0.661 . . . . 0.0 112.537 178.5 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 86.0 mtt180 -93.13 -9.87 37.94 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-O 120.877 0.37 . . . . 0.0 110.662 -179.343 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . -145.48 159.72 42.67 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.303 177.833 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 97.2 mttt -115.89 -40.03 3.39 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-O 121.004 0.43 . . . . 0.0 110.385 179.563 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 93' ' ' TYR . . . . . . . . . . . . . 77.0 t80 -133.79 139.49 46.34 Favored 'General case' 0 C--N 1.321 -0.648 0 CA-C-N 116.046 -0.525 . . . . 0.0 110.278 179.85 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 94' ' ' ASN . . . . . 0.551 ' HB3' ' HB3' ' A' ' 82' ' ' PHE . 20.2 p-10 -110.09 128.48 25.3 Favored Pre-proline 0 C--N 1.321 -0.661 0 CA-C-N 115.895 -0.593 . . . . 0.0 110.372 177.836 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 95' ' ' PRO . . . . . . . . . . . . . 60.3 Cg_endo -75.0 39.62 0.6 Allowed 'Trans proline' 0 CA--C 1.531 0.34 0 C-N-CA 122.993 2.462 . . . . 0.0 112.793 -179.767 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 96' ' ' ALA . . . . . 0.553 ' HB2' ' HD3' ' A' ' 97' ' ' PRO . . . -67.57 -47.03 47.18 Favored Pre-proline 0 C--N 1.326 -0.448 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.539 179.046 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 97' ' ' PRO . . . . . 0.553 ' HD3' ' HB2' ' A' ' 96' ' ' ALA . 25.0 Cg_exo -64.47 -34.71 52.5 Favored 'Trans proline' 0 C--N 1.358 1.029 0 C-N-CA 121.83 1.687 . . . . 0.0 111.479 173.471 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 98' ' ' ASP . . . . . 0.472 ' HB3' ' HB3' ' A' ' 52' ' ' PRO . 3.2 m-20 -60.93 -40.86 94.85 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 115.468 -0.787 . . . . 0.0 110.195 177.995 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 99' ' ' LEU . . . . . 0.662 ' HB2' HD22 ' A' ' 55' ' ' LEU . 3.2 tm? -57.54 -45.59 84.87 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 115.683 -0.689 . . . . 0.0 109.91 176.035 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 100' ' ' ALA . . . . . 0.579 ' O ' ' HG3' ' A' ' 104' ' ' LYS . . . -63.5 -47.46 81.64 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-N 115.832 -0.622 . . . . 0.0 110.73 -179.013 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 31.4 t70 -66.26 -38.49 87.96 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.359 -0.382 . . . . 0.0 111.152 -178.49 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -62.99 -42.53 99.87 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.443 -0.344 . . . . 0.0 110.628 177.719 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 103' ' ' MET . . . . . 0.403 ' HE2' HG22 ' A' ' 59' ' ' ILE . 45.9 ttm -56.72 -43.74 80.91 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 115.843 -0.617 . . . . 0.0 110.268 175.734 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 104' ' ' LYS . . . . . 0.579 ' HG3' ' O ' ' A' ' 100' ' ' ALA . 86.8 mttt . . . . . 0 C--N 1.329 -0.316 0 CA-C-N 115.767 -0.651 . . . . 0.0 110.625 178.643 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 5' ' ' ASN . . . . . 0.431 ' OD1' ' HD2' ' A' ' 90' ' ' ARG . 93.3 m-20 . . . . . 0 C--O 1.235 0.292 0 N-CA-C 111.834 0.309 . . . . 0.0 111.834 . . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 41.1 m -69.02 151.53 46.37 Favored 'General case' 0 C--O 1.237 0.416 0 N-CA-C 110.082 -0.34 . . . . 0.0 110.082 175.306 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 7' ' ' PHE . . . . . . . . . . . . . 64.1 t80 -56.31 -44.91 80.37 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 115.903 -0.589 . . . . 0.0 111.208 -177.085 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 25.2 p -60.49 -40.0 89.73 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 120.684 0.278 . . . . 0.0 111.737 -177.437 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -61.95 -49.48 75.96 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-O 121.221 0.534 . . . . 0.0 110.887 -179.188 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 10' ' ' ILE . . . . . 0.636 HG21 HH21 ' A' ' 90' ' ' ARG . 68.2 mt -69.77 -37.19 73.0 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 CA-C-N 115.665 -0.698 . . . . 0.0 110.248 179.428 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 1.0 OUTLIER -55.28 -44.99 76.17 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 115.655 -0.702 . . . . 0.0 111.069 176.13 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 60.6 tttm -66.77 -40.39 88.21 Favored 'General case' 0 C--N 1.33 -0.261 0 C-N-CA 120.593 -0.443 . . . . 0.0 111.177 179.803 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 40.5 tt0 -62.63 -48.26 80.13 Favored 'General case' 0 C--O 1.234 0.253 0 CA-C-O 121.113 0.482 . . . . 0.0 110.069 178.849 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 14' ' ' TRP . . . . . 0.435 ' CZ2' ' HG3' ' A' ' 77' ' ' ARG . 54.3 t90 -61.69 -49.0 78.27 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 115.602 -0.726 . . . . 0.0 110.452 176.934 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 15' ' ' TYR . . . . . 0.511 ' CE1' ' HB1' ' A' ' 31' ' ' ALA . 22.3 t80 -57.85 -52.81 63.94 Favored 'General case' 0 C--O 1.223 -0.291 0 CA-C-N 116.39 -0.368 . . . . 0.0 111.592 -178.801 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 41.1 tt0 -61.26 -32.52 72.34 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-O 120.917 0.389 . . . . 0.0 110.931 -175.541 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 17' ' ' HIS . . . . . . . . . . . . . 1.5 t-80 -77.74 -42.48 34.05 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.242 178.473 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 35.5 tptt -75.79 -19.34 59.06 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-O 121.219 0.533 . . . . 0.0 110.528 -177.022 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 41.4 tttm -63.41 -18.88 64.18 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 115.658 -0.701 . . . . 0.0 110.74 176.697 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 80.5 mt-30 -74.38 -16.13 60.9 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.064 -0.517 . . . . 0.0 110.319 176.978 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 40.6 t -95.99 -43.51 12.7 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.437 0 CA-C-N 116.045 -0.525 . . . . 0.0 111.076 -175.67 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 22' ' ' TRP . . . . . . . . . . . . . 12.3 m0 -89.23 170.33 10.69 Favored 'General case' 0 C--N 1.321 -0.634 0 CA-C-N 116.065 -0.516 . . . . 0.0 111.11 -176.889 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 6.4 m -73.24 142.18 47.27 Favored 'General case' 0 C--N 1.324 -0.541 0 N-CA-C 108.994 -0.743 . . . . 0.0 108.994 174.626 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 12.6 p -53.41 -38.08 31.47 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.368 0 N-CA-C 111.974 0.361 . . . . 0.0 111.974 -175.209 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -66.53 -48.95 59.42 Favored Glycine 0 N--CA 1.449 -0.482 0 C-N-CA 120.664 -0.779 . . . . 0.0 112.098 178.723 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 26' ' ' TYR . . . . . . . . . . . . . 66.7 t80 -63.93 -39.25 93.73 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.861 0.362 . . . . 0.0 110.155 179.658 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -62.74 -41.38 99.16 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 115.854 -0.612 . . . . 0.0 110.635 178.464 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 59.6 m -62.88 -47.0 85.23 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.42 -0.355 . . . . 0.0 110.606 178.028 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 27.9 mt-10 -65.81 -42.14 91.01 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.406 -0.361 . . . . 0.0 111.327 -178.947 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 10.3 tt -63.28 -41.52 99.01 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.455 -0.339 . . . . 0.0 110.359 179.667 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 31' ' ' ALA . . . . . 0.511 ' HB1' ' CE1' ' A' ' 15' ' ' TYR . . . -65.56 -48.67 71.6 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.447 -0.342 . . . . 0.0 110.546 177.985 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 86.3 tttt -56.36 -35.62 67.89 Favored 'General case' 0 C--N 1.332 -0.192 0 CA-C-N 116.319 -0.401 . . . . 0.0 110.511 178.681 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 33' ' ' MET . . . . . . . . . . . . . 54.9 ttp -63.34 -52.93 59.77 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 115.937 -0.574 . . . . 0.0 110.797 177.314 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 34' ' ' PHE . . . . . 0.611 ' CD2' HD11 ' A' ' 38' ' ' ILE . 8.3 m-85 -62.72 -38.07 89.01 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-O 121.041 0.448 . . . . 0.0 110.838 178.955 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 35' ' ' ASP . . . . . 0.662 ' HA ' ' HG ' ' A' ' 39' ' ' LEU . 10.8 t70 -62.93 -59.45 4.82 Favored 'General case' 0 C--N 1.32 -0.675 0 CA-C-N 115.828 -0.624 . . . . 0.0 111.075 178.474 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 38.4 t70 -66.93 -33.08 74.8 Favored 'General case' 0 C--N 1.327 -0.373 0 N-CA-C 112.81 0.67 . . . . 0.0 112.81 -168.832 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 7.2 m-20 -100.46 -51.15 3.7 Favored 'General case' 0 C--N 1.325 -0.491 0 N-CA-C 112.164 0.431 . . . . 0.0 112.164 -177.331 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 38' ' ' ILE . . . . . 0.611 HD11 ' CD2' ' A' ' 34' ' ' PHE . 11.5 mt -80.71 -34.5 14.2 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.581 0 N-CA-C 112.507 0.558 . . . . 0.0 112.507 -169.598 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 39' ' ' LEU . . . . . 0.662 ' HG ' ' HA ' ' A' ' 35' ' ' ASP . 21.5 mt -67.87 -41.58 29.2 Favored Pre-proline 0 CA--C 1.54 0.588 0 N-CA-C 112.837 0.68 . . . . 0.0 112.837 -176.367 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 40' ' ' PRO . . . . . 0.46 ' HD3' ' O ' ' A' ' 35' ' ' ASP . 31.3 Cg_exo -62.42 -13.95 36.07 Favored 'Trans proline' 0 C--N 1.354 0.831 0 C-N-CA 121.834 1.689 . . . . 0.0 112.716 174.217 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 41' ' ' ILE . . . . . 0.578 HG23 HG23 ' A' ' 42' ' ' ILE . 46.1 mm -96.85 -56.77 4.92 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.582 -0.281 . . . . 0.0 111.056 -179.606 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 42' ' ' ILE . . . . . 0.578 HG23 HG23 ' A' ' 41' ' ' ILE . 17.0 pt -131.88 12.99 1.75 Allowed 'Isoleucine or valine' 0 N--CA 1.467 0.402 0 N-CA-C 112.608 0.596 . . . . 0.0 112.608 -175.042 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -54.88 -49.96 60.21 Favored Glycine 0 CA--C 1.517 0.177 0 C-N-CA 120.922 -0.656 . . . . 0.0 113.51 -173.888 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -91.78 19.37 48.82 Favored Glycine 0 N--CA 1.447 -0.592 0 C-N-CA 120.702 -0.761 . . . . 0.0 113.024 -177.417 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 45' ' ' LEU . . . . . 0.509 HD11 ' HA ' ' A' ' 42' ' ' ILE . 96.9 mt -100.85 141.87 33.12 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 117.358 0.579 . . . . 0.0 110.625 179.151 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 46' ' ' GLU . . . . . 0.585 ' O ' HG13 ' A' ' 50' ' ' ILE . 45.9 mt-10 -57.05 129.03 39.96 Favored 'General case' 0 CA--C 1.514 -0.418 0 CA-C-N 116.182 -0.463 . . . . 0.0 109.784 174.259 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 47' ' ' ILE . . . . . 0.491 HD13 ' HA ' ' A' ' 82' ' ' PHE . 19.2 tt -55.35 -33.4 31.27 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.599 0 O-C-N 123.604 0.565 . . . . 0.0 112.338 -173.558 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 49.9 tt0 -89.12 -13.75 37.8 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 121.037 0.446 . . . . 0.0 110.916 -179.397 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 7.9 t70 -103.56 5.48 36.71 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-O 121.31 0.576 . . . . 0.0 110.63 -174.686 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 50' ' ' ILE . . . . . 0.585 HG13 ' O ' ' A' ' 46' ' ' GLU . 96.9 mt -73.41 135.3 27.91 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 CA-C-N 115.644 -0.707 . . . . 0.0 110.39 178.066 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 35.8 mt-10 -76.17 145.52 76.9 Favored Pre-proline 0 C--N 1.325 -0.469 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.89 -179.931 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 52' ' ' PRO . . . . . . . . . . . . . 38.9 Cg_exo -57.6 -35.27 98.87 Favored 'Trans proline' 0 N--CA 1.464 -0.236 0 C-N-CA 122.3 2.0 . . . . 0.0 110.908 172.392 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 53' ' ' MET . . . . . . . . . . . . . 50.7 ttm -67.39 -32.62 73.65 Favored 'General case' 0 C--N 1.331 -0.198 0 CA-C-N 115.618 -0.719 . . . . 0.0 110.702 177.606 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 94.0 mt-30 -74.27 -39.73 62.79 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.32 -0.4 . . . . 0.0 110.822 179.752 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 55' ' ' LEU . . . . . 0.41 ' O ' ' HB ' ' A' ' 58' ' ' VAL . 16.4 tp -68.67 -33.5 74.08 Favored 'General case' 0 C--N 1.322 -0.593 0 N-CA-C 109.516 -0.55 . . . . 0.0 109.516 177.615 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 2.3 tm? -68.84 -36.33 78.04 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 115.875 -0.602 . . . . 0.0 109.514 174.007 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 7.7 tp10 -60.9 -38.42 85.64 Favored 'General case' 0 C--N 1.329 -0.303 0 N-CA-C 109.738 -0.467 . . . . 0.0 109.738 175.1 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 58' ' ' VAL . . . . . 0.529 HG11 HG12 ' A' ' 38' ' ' ILE . 54.0 t -60.56 -54.4 35.7 Favored 'Isoleucine or valine' 0 C--O 1.239 0.5 0 CA-C-O 121.464 0.649 . . . . 0.0 110.607 174.313 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 59' ' ' ILE . . . . . 0.52 HG22 ' HE2' ' A' ' 103' ' ' MET . 1.6 mp -57.58 -39.88 71.98 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.41 0 CA-C-N 115.572 -0.74 . . . . 0.0 110.614 178.894 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 60' ' ' ARG . . . . . 0.551 ' HA ' ' HB3' ' A' ' 63' ' ' GLU . 18.9 mtp85 -76.57 -21.06 56.15 Favored 'General case' 0 C--N 1.328 -0.342 0 N-CA-C 111.89 0.33 . . . . 0.0 111.89 -179.508 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 6.8 tpt85 -61.25 -35.88 78.47 Favored 'General case' 0 C--N 1.327 -0.387 0 N-CA-C 108.914 -0.773 . . . . 0.0 108.914 172.93 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 62' ' ' PHE . . . . . . . . . . . . . 96.3 m-85 -82.04 -39.0 24.15 Favored 'General case' 0 C--O 1.236 0.351 0 CA-C-N 115.518 -0.764 . . . . 0.0 111.407 173.09 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 63' ' ' GLU . . . . . 0.551 ' HB3' ' HA ' ' A' ' 60' ' ' ARG . 29.6 tt0 -56.03 -43.97 78.29 Favored 'General case' 0 N--CA 1.467 0.399 0 CA-C-N 116.111 -0.495 . . . . 0.0 111.98 -177.366 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 20.3 t70 -59.3 -29.11 67.38 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.001 -0.545 . . . . 0.0 111.635 -174.213 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 75.3 mtm-85 -91.52 1.82 56.87 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.751 0.31 . . . . 0.0 111.334 -179.607 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 81.97 9.75 84.9 Favored Glycine 0 N--CA 1.452 -0.289 0 C-N-CA 120.767 -0.73 . . . . 0.0 112.413 179.008 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -82.4 71.63 9.47 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-O 120.951 0.405 . . . . 0.0 110.49 -179.383 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 68' ' ' MET . . . . . 0.898 ' HA ' ' HE3' ' A' ' 68' ' ' MET . 8.8 mmt -60.33 -41.32 93.29 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 115.804 -0.634 . . . . 0.0 111.005 -178.93 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 10.2 tt0 -57.87 -49.97 74.91 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.065 -0.516 . . . . 0.0 110.503 -179.826 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 70' ' ' ARG . . . . . 0.502 ' N ' ' HD2' ' A' ' 70' ' ' ARG . 1.5 mpt_? -72.83 -26.53 61.52 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-N 115.865 -0.607 . . . . 0.0 111.095 -175.117 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -67.46 -41.55 84.48 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-O 121.097 0.475 . . . . 0.0 110.24 175.132 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 72' ' ' ASN . . . . . . . . . . . . . 44.1 m-80 -75.03 -37.57 61.69 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.048 -0.524 . . . . 0.0 110.696 178.193 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 87.3 mttt -61.05 -44.57 97.2 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.506 -0.316 . . . . 0.0 110.519 175.463 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -59.8 -45.07 93.47 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.305 -0.407 . . . . 0.0 110.175 176.34 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 76.4 ttt180 -56.81 -50.46 72.3 Favored 'General case' 0 CA--C 1.533 0.297 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.253 177.584 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 76' ' ' ARG . . . . . 0.409 HH11 ' HD3' ' A' ' 76' ' ' ARG . 50.1 mtt180 -61.63 -47.17 86.63 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 121.053 0.454 . . . . 0.0 111.317 179.311 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 77' ' ' ARG . . . . . 0.439 ' O ' HG21 ' A' ' 81' ' ' VAL . 0.0 OUTLIER -74.77 -37.31 62.47 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-N 115.788 -0.642 . . . . 0.0 112.144 -172.171 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 78' ' ' CYS . . . . . . . . . . . . . 28.2 p -65.02 -46.27 82.03 Favored 'General case' 0 C--N 1.33 -0.26 0 C-N-CA 120.279 -0.568 . . . . 0.0 109.839 179.677 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . -56.65 -35.64 68.07 Favored Glycine 0 C--N 1.334 0.453 0 C-N-CA 120.769 -0.729 . . . . 0.0 111.741 175.622 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 35.6 tt0 -66.55 -45.46 79.3 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 115.734 -0.233 . . . . 0.0 110.649 177.285 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 81' ' ' VAL . . . . . 0.439 HG21 ' O ' ' A' ' 77' ' ' ARG . 87.2 t -63.14 -44.04 99.2 Favored 'Isoleucine or valine' 0 C--O 1.235 0.302 0 CA-C-O 120.844 0.354 . . . . 0.0 110.522 177.811 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 82' ' ' PHE . . . . . 0.491 ' HA ' HD13 ' A' ' 47' ' ' ILE . 5.7 m-85 -57.79 -48.03 80.86 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.495 176.621 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 83' ' ' ARG . . . . . 0.477 ' O ' HG23 ' A' ' 87' ' ' VAL . 42.2 ttm180 -65.83 -35.77 81.61 Favored 'General case' 0 C--N 1.323 -0.554 0 CA-C-N 115.891 -0.595 . . . . 0.0 110.757 179.17 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 84' ' ' TYR . . . . . . . . . . . . . 36.7 t80 -59.08 -40.7 86.08 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 115.923 -0.58 . . . . 0.0 110.069 178.151 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 85' ' ' ALA . . . . . 0.408 ' HA ' HG21 ' A' ' 88' ' ' THR . . . -71.01 -26.68 63.22 Favored 'General case' 0 N--CA 1.453 -0.31 0 CA-C-N 115.575 -0.739 . . . . 0.0 110.864 178.259 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 86' ' ' ILE . . . . . 0.645 ' HA ' ' O ' ' A' ' 91' ' ' ALA . 73.4 mt -71.55 -41.65 72.23 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.38 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.365 176.243 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 87' ' ' VAL . . . . . 0.477 HG23 ' O ' ' A' ' 83' ' ' ARG . 66.1 t -61.51 -39.92 84.66 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 115.921 -0.581 . . . . 0.0 110.973 179.24 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 88' ' ' THR . . . . . 0.495 HG23 ' HG2' ' A' ' 90' ' ' ARG . 10.1 t -84.08 -5.94 59.32 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-O 120.88 0.371 . . . . 0.0 111.101 179.391 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . 86.08 14.83 66.06 Favored Glycine 0 CA--C 1.521 0.445 0 N-CA-C 114.955 0.742 . . . . 0.0 114.955 170.344 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 90' ' ' ARG . . . . . 0.636 HH21 HG21 ' A' ' 10' ' ' ILE . 16.2 ptt-85 -105.24 7.3 33.5 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 118.165 0.983 . . . . 0.0 110.741 178.177 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 91' ' ' ALA . . . . . 0.645 ' O ' ' HA ' ' A' ' 86' ' ' ILE . . . -146.06 146.8 31.07 Favored 'General case' 0 C--N 1.322 -0.627 0 N-CA-C 108.255 -1.017 . . . . 0.0 108.255 170.319 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 81.9 tttt -127.66 -6.84 5.69 Favored 'General case' 0 C--N 1.321 -0.639 0 C-N-CA 120.39 -0.524 . . . . 0.0 111.527 -179.288 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 93' ' ' TYR . . . . . . . . . . . . . 78.0 t80 -144.1 127.22 16.56 Favored 'General case' 0 C--N 1.322 -0.595 0 CA-C-O 120.857 0.36 . . . . 0.0 110.755 -179.62 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 94' ' ' ASN . . . . . 0.419 ' HB3' ' HB3' ' A' ' 82' ' ' PHE . 14.6 p-10 -114.12 117.96 42.87 Favored Pre-proline 0 C--N 1.32 -0.716 0 CA-C-N 115.745 -0.661 . . . . 0.0 109.504 174.23 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 95' ' ' PRO . . . . . 0.455 ' HD2' ' CD2' ' A' ' 82' ' ' PHE . 56.5 Cg_endo -70.8 43.8 0.47 Allowed 'Trans proline' 0 CA--C 1.529 0.253 0 C-N-CA 123.133 2.556 . . . . 0.0 112.404 179.717 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 96' ' ' ALA . . . . . 0.492 ' N ' ' HD2' ' A' ' 97' ' ' PRO . . . -67.64 -48.97 41.91 Favored Pre-proline 0 C--N 1.324 -0.514 0 CA-C-N 116.091 -0.504 . . . . 0.0 111.46 -179.653 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 97' ' ' PRO . . . . . 0.492 ' HD2' ' N ' ' A' ' 96' ' ' ALA . 25.8 Cg_endo -63.65 -33.77 65.59 Favored 'Trans proline' 0 C--N 1.358 1.029 0 C-N-CA 121.584 1.523 . . . . 0.0 111.283 174.115 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 5.1 m-20 -62.88 -45.14 93.96 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 115.652 -0.704 . . . . 0.0 110.294 177.767 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 99' ' ' LEU . . . . . . . . . . . . . 3.3 tm? -56.86 -39.8 74.98 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 115.666 -0.697 . . . . 0.0 110.228 177.649 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 100' ' ' ALA . . . . . . . . . . . . . . . -64.29 -44.76 90.66 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 115.869 -0.605 . . . . 0.0 111.144 -179.645 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 32.4 m-20 -73.19 -31.85 64.45 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.306 -0.406 . . . . 0.0 110.835 179.674 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -65.01 -50.34 66.65 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 116.387 -0.37 . . . . 0.0 110.683 177.13 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 103' ' ' MET . . . . . 0.52 ' HE2' HG22 ' A' ' 59' ' ' ILE . 45.6 ttm -57.94 -35.18 70.75 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-O 121.287 0.565 . . . . 0.0 110.709 177.807 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 104' ' ' LYS . . . . . . . . . . . . . 86.8 tttt . . . . . 0 C--N 1.324 -0.537 0 CA-C-N 115.717 -0.674 . . . . 0.0 111.2 179.838 . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 93.4 m-20 . . . . . 0 C--O 1.232 0.135 0 N-CA-C 111.8 0.296 . . . . 0.0 111.8 . . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A ' 6' ' ' SER . . . . . 0.434 ' HA ' ' HA ' ' A' ' 46' ' ' GLU . 67.2 p -64.84 141.34 58.81 Favored 'General case' 0 C--N 1.327 -0.406 0 N-CA-C 109.794 -0.447 . . . . 0.0 109.794 176.413 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 7' ' ' PHE . . . . . 0.483 ' O ' ' HB3' ' A' ' 11' ' ' TYR . 35.0 t80 -60.13 -32.99 71.53 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.424 -177.946 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 8' ' ' SER . . . . . 0.514 ' O ' ' HD1' ' A' ' 11' ' ' TYR . 13.4 p -56.02 -46.74 78.69 Favored 'General case' 0 C--O 1.237 0.435 0 CA-C-O 121.493 0.663 . . . . 0.0 110.963 176.359 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -60.36 -53.05 62.19 Favored 'General case' 0 C--N 1.323 -0.548 0 CA-C-N 115.529 -0.76 . . . . 0.0 110.463 -179.564 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 10' ' ' ILE . . . . . 0.76 HG12 HH11 ' A' ' 90' ' ' ARG . 25.2 mt -70.61 -33.03 51.52 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.581 0 CA-C-N 115.544 -0.753 . . . . 0.0 111.605 -174.512 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 11' ' ' TYR . . . . . 0.514 ' HD1' ' O ' ' A' ' 8' ' ' SER . 0.0 OUTLIER -62.59 -38.58 90.71 Favored 'General case' 0 C--N 1.332 -0.179 0 C-N-CA 121.219 -0.193 . . . . 0.0 110.652 -179.369 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 47.5 tttm -77.48 -39.93 44.73 Favored 'General case' 0 C--N 1.33 -0.241 0 C-N-CA 120.246 -0.582 . . . . 0.0 110.907 179.484 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 44.6 mt-10 -61.96 -42.8 99.53 Favored 'General case' 0 C--O 1.234 0.284 0 CA-C-O 120.807 0.337 . . . . 0.0 110.375 177.539 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 14' ' ' TRP . . . . . . . . . . . . . 52.1 t90 -61.81 -50.69 71.31 Favored 'General case' 0 C--O 1.236 0.365 0 CA-C-N 115.92 -0.582 . . . . 0.0 110.657 176.163 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 15' ' ' TYR . . . . . 0.486 ' O ' ' HB2' ' A' ' 19' ' ' LYS . 26.4 t80 -56.25 -56.79 16.72 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.062 -0.517 . . . . 0.0 111.299 -179.593 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 41.8 mt-10 -68.1 -15.81 63.75 Favored 'General case' 0 C--N 1.328 -0.346 0 N-CA-C 111.782 0.29 . . . . 0.0 111.782 -174.959 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 17' ' ' HIS . . . . . . . . . . . . . 35.3 t60 -77.85 -60.29 2.43 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-O 120.927 0.394 . . . . 0.0 110.183 174.133 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 70.7 tttt -78.27 -0.33 28.3 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 121.498 0.666 . . . . 0.0 110.31 -175.374 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 19' ' ' LYS . . . . . 0.486 ' HB2' ' O ' ' A' ' 15' ' ' TYR . 81.3 tttt -61.03 -24.87 66.51 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 115.044 -0.98 . . . . 0.0 110.226 174.302 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 85.0 mm-40 -75.57 -10.47 59.47 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 115.675 -0.693 . . . . 0.0 111.09 179.503 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 61.5 t -97.9 -50.23 11.32 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.397 0 CA-C-N 116.372 -0.376 . . . . 0.0 111.174 -176.737 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 22' ' ' TRP . . . . . . . . . . . . . 11.1 m0 -84.33 155.32 22.42 Favored 'General case' 0 C--N 1.323 -0.558 0 CA-C-N 116.398 -0.365 . . . . 0.0 110.908 -177.377 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 26.3 m -63.31 139.38 58.76 Favored 'General case' 0 C--N 1.327 -0.391 0 N-CA-C 109.507 -0.553 . . . . 0.0 109.507 173.736 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 13.4 p -49.85 -37.99 13.34 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.398 0 N-CA-C 112.204 0.446 . . . . 0.0 112.204 -175.468 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -62.45 -56.74 19.93 Favored Glycine 0 N--CA 1.45 -0.412 0 C-N-CA 120.777 -0.725 . . . . 0.0 112.193 179.153 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 26' ' ' TYR . . . . . . . . . . . . . 77.6 t80 -65.23 -37.67 87.99 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.487 0.184 . . . . 0.0 110.724 -179.309 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -59.92 -47.42 85.83 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.344 -0.389 . . . . 0.0 110.841 179.801 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 23.6 m -67.96 -41.64 82.14 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.328 -0.397 . . . . 0.0 111.182 -178.952 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 44.7 mt-10 -67.73 -36.35 80.42 Favored 'General case' 0 C--O 1.235 0.291 0 CA-C-O 120.727 0.299 . . . . 0.0 110.907 178.764 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 9.3 tt -62.48 -44.08 97.26 Favored 'General case' 0 C--O 1.234 0.279 0 N-CA-C 109.648 -0.501 . . . . 0.0 109.648 174.949 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -64.88 -39.36 93.41 Favored 'General case' 0 N--CA 1.453 -0.324 0 CA-C-N 115.654 -0.703 . . . . 0.0 110.604 177.926 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 65.3 tttm -60.02 -50.07 75.17 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.505 -0.316 . . . . 0.0 110.937 179.367 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 33' ' ' MET . . . . . . . . . . . . . 59.3 ttp -61.58 -41.01 96.8 Favored 'General case' 0 C--O 1.234 0.276 0 CA-C-O 121.346 0.593 . . . . 0.0 110.257 178.475 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 34' ' ' PHE . . . . . 0.531 ' O ' ' HB ' ' A' ' 38' ' ' ILE . 35.3 t80 -64.4 -49.27 72.23 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 115.459 -0.791 . . . . 0.0 110.38 -179.799 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 35' ' ' ASP . . . . . 0.515 ' HA ' ' HB2' ' A' ' 39' ' ' LEU . 10.9 t70 -71.64 -49.34 40.97 Favored 'General case' 0 C--N 1.32 -0.683 0 CA-C-N 116.426 -0.352 . . . . 0.0 111.595 -177.002 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 32.6 t70 -61.82 -36.7 81.93 Favored 'General case' 0 C--N 1.32 -0.688 0 N-CA-C 111.949 0.351 . . . . 0.0 111.949 -172.602 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 4.3 m-20 -100.8 -48.04 4.61 Favored 'General case' 0 C--N 1.329 -0.297 0 N-CA-C 112.576 0.584 . . . . 0.0 112.576 -178.684 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 38' ' ' ILE . . . . . 0.531 ' HB ' ' O ' ' A' ' 34' ' ' PHE . 19.5 mt -80.21 -34.56 15.0 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.401 0 N-CA-C 112.085 0.402 . . . . 0.0 112.085 -170.609 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 39' ' ' LEU . . . . . 0.515 ' HB2' ' HA ' ' A' ' 35' ' ' ASP . 0.4 OUTLIER -63.06 -47.9 85.21 Favored Pre-proline 0 CA--C 1.544 0.712 0 CA-C-O 119.598 -0.239 . . . . 0.0 111.62 -175.56 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 40' ' ' PRO . . . . . 0.499 ' HD3' ' O ' ' A' ' 35' ' ' ASP . 27.7 Cg_exo -64.46 -11.41 28.3 Favored 'Trans proline' 0 C--N 1.355 0.879 0 C-N-CA 121.802 1.668 . . . . 0.0 113.032 177.768 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 41' ' ' ILE . . . . . 0.631 HG22 HG23 ' A' ' 42' ' ' ILE . 48.2 mm -91.78 -57.32 4.38 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.245 0 CA-C-O 120.532 0.206 . . . . 0.0 111.002 -179.254 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 42' ' ' ILE . . . . . 0.631 HG23 HG22 ' A' ' 41' ' ' ILE . 13.5 pt -129.3 5.24 2.6 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.199 0 N-CA-C 112.38 0.511 . . . . 0.0 112.38 -175.419 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 43' ' ' GLY . . . . . 0.442 ' HA3' HD23 ' A' ' 39' ' ' LEU . . . -60.46 -37.73 93.71 Favored Glycine 0 N--CA 1.451 -0.349 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.802 -174.993 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -86.3 5.07 85.32 Favored Glycine 0 N--CA 1.444 -0.787 0 C-N-CA 120.538 -0.839 . . . . 0.0 112.832 -179.746 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 45' ' ' LEU . . . . . 0.448 HD12 ' HA ' ' A' ' 42' ' ' ILE . 91.0 mt -96.26 146.56 24.61 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 117.142 0.471 . . . . 0.0 110.621 -177.917 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 46' ' ' GLU . . . . . 0.622 ' O ' HG13 ' A' ' 50' ' ' ILE . 41.7 mt-10 -67.5 138.69 56.76 Favored 'General case' 0 C--N 1.327 -0.409 0 N-CA-C 109.228 -0.656 . . . . 0.0 109.228 175.512 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 47' ' ' ILE . . . . . 0.428 HD13 ' HB1' ' A' ' 85' ' ' ALA . 15.5 tt -64.39 -19.15 24.44 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.63 0 CA-C-O 120.98 0.419 . . . . 0.0 111.356 -176.366 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 61.5 mt-30 -89.42 -10.98 44.46 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-O 120.998 0.428 . . . . 0.0 110.353 176.905 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 3.6 t70 -122.38 14.84 10.43 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 116.047 -0.524 . . . . 0.0 110.93 -168.177 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 50' ' ' ILE . . . . . 0.622 HG13 ' O ' ' A' ' 46' ' ' GLU . 85.0 mt -82.79 125.44 39.98 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.417 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.925 -179.139 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 51' ' ' GLU . . . . . 1.0 ' HB2' ' HB2' ' A' ' 54' ' ' GLN . 12.6 mm-40 -66.28 132.69 94.43 Favored Pre-proline 0 C--N 1.323 -0.582 0 CA-C-N 115.362 -0.835 . . . . 0.0 109.969 177.491 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 52' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_exo -54.84 -39.4 90.23 Favored 'Trans proline' 0 N--CA 1.464 -0.252 0 C-N-CA 122.323 2.015 . . . . 0.0 111.649 171.683 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 53' ' ' MET . . . . . . . . . . . . . 68.3 mtm -73.53 -22.34 60.13 Favored 'General case' 0 C--O 1.226 -0.15 0 CA-C-O 120.681 0.277 . . . . 0.0 110.979 176.288 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 54' ' ' GLN . . . . . 1.0 ' HB2' ' HB2' ' A' ' 51' ' ' GLU . 32.7 tp60 -76.19 -40.98 51.01 Favored 'General case' 0 C--N 1.326 -0.449 0 N-CA-C 108.844 -0.799 . . . . 0.0 108.844 176.699 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 55' ' ' LEU . . . . . 0.427 ' O ' ' HB ' ' A' ' 58' ' ' VAL . 34.4 tp -65.78 -33.49 75.98 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-N 115.301 -0.863 . . . . 0.0 108.977 172.733 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 56' ' ' LEU . . . . . 0.465 HD11 ' O ' ' A' ' 56' ' ' LEU . 3.1 tm? -64.82 -34.73 79.06 Favored 'General case' 0 C--O 1.215 -0.735 0 CA-C-N 115.7 -0.682 . . . . 0.0 109.441 173.821 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 28.6 tt0 -62.23 -31.9 72.51 Favored 'General case' 0 C--N 1.33 -0.274 0 N-CA-C 110.277 -0.268 . . . . 0.0 110.277 177.996 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 58' ' ' VAL . . . . . 0.576 ' O ' ' HB3' ' A' ' 61' ' ' ARG . 71.4 t -60.47 -55.34 25.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-O 121.336 0.589 . . . . 0.0 110.49 171.008 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 59' ' ' ILE . . . . . 0.517 HG21 ' HB1' ' A' ' 71' ' ' ALA . 1.8 mp -59.24 -42.31 86.62 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.441 0 CA-C-N 115.684 -0.689 . . . . 0.0 110.407 178.373 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 48.2 ttp85 -68.26 -29.46 68.26 Favored 'General case' 0 C--N 1.323 -0.569 0 CA-C-N 115.211 -0.904 . . . . 0.0 110.578 -179.073 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 61' ' ' ARG . . . . . 0.576 ' HB3' ' O ' ' A' ' 58' ' ' VAL . 25.0 tpt180 -58.21 -40.18 80.91 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 115.999 -0.546 . . . . 0.0 109.846 171.583 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 62' ' ' PHE . . . . . 0.489 ' HA ' ' HD3' ' A' ' 65' ' ' ARG . 92.2 m-85 -77.81 -24.33 48.8 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-N 115.977 -0.556 . . . . 0.0 111.205 176.82 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 39.9 mt-10 -65.1 -41.51 94.88 Favored 'General case' 0 N--CA 1.464 0.24 0 CA-C-O 120.615 0.245 . . . . 0.0 110.685 175.321 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 28.6 m-20 -58.05 -28.53 64.6 Favored 'General case' 0 N--CA 1.466 0.334 0 CA-C-O 121.102 0.477 . . . . 0.0 110.449 176.433 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 65' ' ' ARG . . . . . 0.489 ' HD3' ' HA ' ' A' ' 62' ' ' PHE . 24.8 mtp180 -83.85 -35.18 24.38 Favored 'General case' 0 C--N 1.323 -0.551 0 CA-C-N 115.348 -0.842 . . . . 0.0 110.92 179.689 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 99.79 3.76 55.94 Favored Glycine 0 N--CA 1.448 -0.527 0 N-CA-C 111.234 -0.746 . . . . 0.0 111.234 -176.491 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -83.25 87.91 6.94 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-N 115.437 -0.382 . . . . 0.0 110.464 -179.717 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 68' ' ' MET . . . . . 0.561 ' HA ' ' HE3' ' A' ' 68' ' ' MET . 0.0 OUTLIER -69.78 -42.81 73.29 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-N 116.3 -0.409 . . . . 0.0 110.393 -177.121 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 30.3 mt-10 -54.3 -55.3 29.69 Favored 'General case' 0 CA--C 1.516 -0.331 0 CA-C-N 115.941 -0.572 . . . . 0.0 111.093 175.823 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 70' ' ' ARG . . . . . 0.521 ' HA ' ' HB2' ' A' ' 73' ' ' LYS . 82.3 mtt180 -74.55 -12.47 60.48 Favored 'General case' 0 C--N 1.321 -0.641 0 CA-C-N 115.487 -0.778 . . . . 0.0 111.339 -170.963 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 71' ' ' ALA . . . . . 0.517 ' HB1' HG21 ' A' ' 59' ' ' ILE . . . -74.89 -48.4 25.0 Favored 'General case' 0 C--N 1.327 -0.404 0 N-CA-C 109.501 -0.555 . . . . 0.0 109.501 171.281 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 72' ' ' ASN . . . . . . . . . . . . . 94.0 m-20 -69.64 -35.47 75.25 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 115.98 -0.555 . . . . 0.0 110.483 177.077 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 73' ' ' LYS . . . . . 0.521 ' HB2' ' HA ' ' A' ' 70' ' ' ARG . 97.6 mttt -68.26 -25.38 65.15 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.656 176.569 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -67.37 -54.86 16.83 Favored 'General case' 0 C--N 1.329 -0.32 0 N-CA-C 109.436 -0.579 . . . . 0.0 109.436 172.577 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 75' ' ' ARG . . . . . 0.415 HH11 ' HD3' ' A' ' 75' ' ' ARG . 30.1 ttt180 -53.76 -43.58 69.3 Favored 'General case' 0 C--N 1.332 -0.175 0 CA-C-N 115.596 -0.729 . . . . 0.0 111.083 177.079 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 28.7 ttm180 -60.46 -48.71 80.59 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.137 -178.486 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 77' ' ' ARG . . . . . 0.493 ' O ' HG22 ' A' ' 81' ' ' VAL . 87.9 mtm180 -64.14 -46.4 84.28 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.766 -179.263 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 78' ' ' CYS . . . . . . . . . . . . . 77.4 m -62.24 -35.44 78.94 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.379 -0.373 . . . . 0.0 110.569 178.219 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . -61.59 -39.46 97.39 Favored Glycine 0 N--CA 1.452 -0.254 0 C-N-CA 121.3 -0.476 . . . . 0.0 112.244 177.432 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 42.8 tt0 -70.53 -36.08 73.52 Favored 'General case' 0 C--N 1.328 -0.363 0 N-CA-C 109.889 -0.412 . . . . 0.0 109.889 176.898 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 81' ' ' VAL . . . . . 0.493 HG22 ' O ' ' A' ' 77' ' ' ARG . 97.1 t -60.56 -43.37 94.4 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.201 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.218 174.223 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 82' ' ' PHE . . . . . 0.449 ' O ' HG13 ' A' ' 86' ' ' ILE . 22.4 m-85 -60.51 -45.67 92.96 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 115.971 -0.558 . . . . 0.0 110.36 175.814 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 83' ' ' ARG . . . . . 0.471 ' O ' HG23 ' A' ' 87' ' ' VAL . 34.5 ttm180 -61.6 -41.25 97.17 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.465 178.543 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 84' ' ' TYR . . . . . . . . . . . . . 10.5 t80 -55.27 -40.54 71.13 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 115.796 -0.638 . . . . 0.0 109.707 177.218 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 85' ' ' ALA . . . . . 0.428 ' HB1' HD13 ' A' ' 47' ' ' ILE . . . -71.07 -37.75 72.46 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 115.476 -0.784 . . . . 0.0 111.221 177.899 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 86' ' ' ILE . . . . . 0.449 HG13 ' O ' ' A' ' 82' ' ' PHE . 85.9 mt -61.84 -43.77 97.85 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 CA-C-O 121.036 0.446 . . . . 0.0 110.611 177.745 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 87' ' ' VAL . . . . . 0.471 HG23 ' O ' ' A' ' 83' ' ' ARG . 55.7 t -66.37 -38.65 82.26 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.046 -0.525 . . . . 0.0 111.075 179.348 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 88' ' ' THR . . . . . . . . . . . . . 19.8 p -79.94 -11.4 59.8 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 116.275 -0.421 . . . . 0.0 111.392 -178.802 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . 87.88 13.51 64.46 Favored Glycine 0 N--CA 1.453 -0.204 0 C-N-CA 120.898 -0.667 . . . . 0.0 112.499 179.243 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 90' ' ' ARG . . . . . 0.76 HH11 HG12 ' A' ' 10' ' ' ILE . 99.3 mtt180 -86.91 -16.09 37.01 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-O 120.694 0.283 . . . . 0.0 110.968 -179.487 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . -143.0 159.61 41.91 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-O 120.769 0.319 . . . . 0.0 110.962 -179.61 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 67.1 mttm -119.05 -38.9 2.99 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 116.071 -0.513 . . . . 0.0 110.45 179.261 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 93' ' ' TYR . . . . . . . . . . . . . 85.7 t80 -128.01 137.77 52.34 Favored 'General case' 0 C--N 1.323 -0.579 0 CA-C-N 115.955 -0.566 . . . . 0.0 109.729 178.861 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 94' ' ' ASN . . . . . 0.477 ' C ' ' H ' ' A' ' 96' ' ' ALA . 19.6 p-10 -100.41 125.26 39.92 Favored Pre-proline 0 C--N 1.319 -0.75 0 N-CA-C 109.462 -0.57 . . . . 0.0 109.462 175.449 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 95' ' ' PRO . . . . . 0.421 ' HD3' ' HA ' ' A' ' 94' ' ' ASN . 16.8 Cg_exo -69.11 26.59 0.16 Allowed 'Trans proline' 0 CA--C 1.531 0.372 0 C-N-CA 123.245 2.63 . . . . 0.0 113.19 -177.621 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 96' ' ' ALA . . . . . 0.579 ' HB2' ' HD3' ' A' ' 97' ' ' PRO . . . -70.53 -49.26 16.21 Favored Pre-proline 0 C--N 1.326 -0.44 0 N-CA-C 112.043 0.386 . . . . 0.0 112.043 -178.617 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 97' ' ' PRO . . . . . 0.579 ' HD3' ' HB2' ' A' ' 96' ' ' ALA . 34.0 Cg_exo -60.26 -44.89 25.64 Favored 'Trans proline' 0 C--N 1.355 0.897 0 C-N-CA 121.937 1.758 . . . . 0.0 112.359 176.857 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 26.7 t70 -71.71 -21.54 61.76 Favored 'General case' 0 C--N 1.332 -0.193 0 CA-C-O 120.944 0.402 . . . . 0.0 110.617 -179.498 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 99' ' ' LEU . . . . . . . . . . . . . 3.3 tm? -62.77 -38.2 89.66 Favored 'General case' 0 C--N 1.33 -0.278 0 N-CA-C 109.175 -0.676 . . . . 0.0 109.175 172.963 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 100' ' ' ALA . . . . . . . . . . . . . . . -68.12 -38.19 81.96 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 115.885 -0.598 . . . . 0.0 110.157 177.644 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 4.7 m-20 -65.76 -37.5 86.51 Favored 'General case' 0 CA--C 1.519 -0.244 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.597 175.574 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -66.24 -45.87 79.14 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 116.291 -0.413 . . . . 0.0 110.344 176.2 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 103' ' ' MET . . . . . 0.481 ' HE2' HG23 ' A' ' 59' ' ' ILE . 53.9 ttm -60.11 -23.94 64.25 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-O 121.213 0.53 . . . . 0.0 110.985 177.936 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 104' ' ' LYS . . . . . . . . . . . . . 63.5 tttp . . . . . 0 C--N 1.323 -0.583 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.981 179.501 . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 14.1 m120 . . . . . 0 C--O 1.234 0.284 0 N-CA-C 111.68 0.252 . . . . 0.0 111.68 . . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' A' A ' 6' ' ' SER . . . . . 0.575 ' HA ' ' HA ' ' A' ' 46' ' ' GLU . 74.3 m -64.65 149.83 48.24 Favored 'General case' 0 C--O 1.236 0.377 0 CA-C-O 120.849 0.357 . . . . 0.0 110.594 176.454 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 7' ' ' PHE . . . . . . . . . . . . . 31.9 t80 -58.32 -39.77 80.28 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 115.684 -0.689 . . . . 0.0 110.656 -177.702 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 16.9 p -59.85 -41.75 92.12 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.351 -0.386 . . . . 0.0 111.632 179.796 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -61.96 -48.81 78.73 Favored 'General case' 0 C--O 1.236 0.392 0 CA-C-O 120.986 0.422 . . . . 0.0 110.795 -178.854 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 64.8 mt -68.41 -39.23 80.5 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 115.942 -0.572 . . . . 0.0 110.187 178.468 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 7.0 t80 -56.83 -46.57 81.61 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 115.842 -0.617 . . . . 0.0 111.416 177.032 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 81.2 tttt -63.4 -41.8 98.77 Favored 'General case' 0 C--N 1.329 -0.325 0 C-N-CA 120.659 -0.416 . . . . 0.0 110.673 -178.14 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 37.1 tt0 -65.63 -45.17 84.05 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 121.154 0.502 . . . . 0.0 110.147 178.181 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 14' ' ' TRP . . . . . . . . . . . . . 68.8 t90 -58.96 -46.93 86.84 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 115.491 -0.777 . . . . 0.0 110.417 177.092 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 15' ' ' TYR . . . . . 0.439 ' CE1' ' HB2' ' A' ' 31' ' ' ALA . 24.7 t80 -61.13 -49.11 78.58 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.038 -0.528 . . . . 0.0 111.222 177.727 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 38.6 tt0 -61.4 -30.5 70.59 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-O 121.283 0.563 . . . . 0.0 110.484 -178.77 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 17' ' ' HIS . . . . . 0.64 ' O ' ' HG2' ' A' ' 20' ' ' GLN . 72.9 t60 -78.37 -50.97 10.79 Favored 'General case' 0 C--N 1.323 -0.562 0 CA-C-N 115.778 -0.646 . . . . 0.0 110.296 178.312 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 32.6 mmtm -67.67 -14.39 62.91 Favored 'General case' 0 N--CA 1.467 0.376 0 CA-C-N 116.335 -0.393 . . . . 0.0 111.54 179.684 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 80.4 tttt -57.23 -29.06 63.46 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 115.82 -0.627 . . . . 0.0 111.24 179.287 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 20' ' ' GLN . . . . . 0.64 ' HG2' ' O ' ' A' ' 17' ' ' HIS . 13.4 pt20 -87.29 -5.35 58.95 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.381 -0.372 . . . . 0.0 110.988 -177.66 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 71.5 t -93.3 -49.59 12.73 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.401 0 CA-C-O 121.223 0.535 . . . . 0.0 110.295 179.784 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 22' ' ' TRP . . . . . . . . . . . . . 9.3 m0 -88.17 170.63 10.87 Favored 'General case' 0 C--N 1.32 -0.702 0 CA-C-N 115.608 -0.724 . . . . 0.0 110.382 -179.066 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 7.7 m -79.52 146.53 32.61 Favored 'General case' 0 C--N 1.321 -0.66 0 N-CA-C 109.375 -0.602 . . . . 0.0 109.375 175.067 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 14.4 p -52.66 -39.18 29.3 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.463 0 N-CA-C 112.482 0.549 . . . . 0.0 112.482 -173.668 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -64.61 -53.51 34.73 Favored Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.711 -0.756 . . . . 0.0 111.842 179.302 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 26' ' ' TYR . . . . . . . . . . . . . 73.4 t80 -58.83 -42.86 90.25 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.874 0.369 . . . . 0.0 110.693 178.287 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -61.82 -40.96 97.1 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.023 -0.535 . . . . 0.0 111.149 -179.658 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 62.3 m -66.48 -45.58 79.19 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.463 -0.335 . . . . 0.0 111.002 178.985 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 28.6 mm-40 -60.28 -46.98 87.93 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-O 120.845 0.355 . . . . 0.0 111.144 177.584 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 10.2 tt -60.14 -47.46 85.84 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.012 -0.54 . . . . 0.0 110.297 179.399 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 31' ' ' ALA . . . . . 0.439 ' HB2' ' CE1' ' A' ' 15' ' ' TYR . . . -63.83 -42.57 97.6 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 116.037 -0.529 . . . . 0.0 111.301 -179.235 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 17.8 ttpp -66.44 -45.79 78.63 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-O 120.747 0.308 . . . . 0.0 110.352 -178.233 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 33' ' ' MET . . . . . 0.562 ' SD ' ' HD3' ' A' ' 70' ' ' ARG . 50.7 ttp -59.21 -49.75 76.64 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.059 -0.519 . . . . 0.0 110.543 177.323 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 34' ' ' PHE . . . . . 0.628 ' O ' ' HB ' ' A' ' 38' ' ' ILE . 22.2 t80 -61.84 -38.02 86.66 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 115.506 -0.77 . . . . 0.0 110.051 -179.188 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 35' ' ' ASP . . . . . 0.757 ' HA ' HD23 ' A' ' 39' ' ' LEU . 13.2 t70 -65.99 -53.82 34.01 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 115.939 -0.573 . . . . 0.0 110.768 178.931 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 58.5 m-20 -55.92 -36.26 67.52 Favored 'General case' 0 N--CA 1.468 0.441 0 CA-C-N 115.871 -0.604 . . . . 0.0 112.578 -174.333 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 37' ' ' ASP . . . . . 0.425 ' O ' HG12 ' A' ' 41' ' ' ILE . 21.1 m-20 -103.2 -50.95 3.35 Favored 'General case' 0 C--N 1.324 -0.521 0 N-CA-C 112.766 0.654 . . . . 0.0 112.766 -175.841 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 38' ' ' ILE . . . . . 0.628 ' HB ' ' O ' ' A' ' 34' ' ' PHE . 2.0 mp -68.89 -41.26 81.97 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.426 0 N-CA-C 112.021 0.378 . . . . 0.0 112.021 -172.913 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 39' ' ' LEU . . . . . 0.757 HD23 ' HA ' ' A' ' 35' ' ' ASP . 3.1 mm? -60.05 -51.13 82.67 Favored Pre-proline 0 CA--C 1.535 0.371 0 N-CA-C 112.716 0.636 . . . . 0.0 112.716 -174.508 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 33.4 Cg_exo -61.03 -18.77 59.82 Favored 'Trans proline' 0 C--N 1.351 0.661 0 C-N-CA 122.065 1.844 . . . . 0.0 113.187 177.389 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 41' ' ' ILE . . . . . 0.455 HG23 HG21 ' A' ' 42' ' ' ILE . 43.0 mm -97.13 -64.67 1.33 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-O 120.614 0.245 . . . . 0.0 111.396 -176.592 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 42' ' ' ILE . . . . . 0.455 HG21 HG23 ' A' ' 41' ' ' ILE . 10.9 pt -121.46 3.81 6.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 N-CA-C 111.857 0.317 . . . . 0.0 111.857 -175.908 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 43' ' ' GLY . . . . . 0.517 ' HA3' ' HA ' ' A' ' 39' ' ' LEU . . . -56.92 -42.24 92.32 Favored Glycine 0 CA--C 1.512 -0.108 0 C-N-CA 120.847 -0.692 . . . . 0.0 112.673 -175.94 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -88.65 8.92 77.95 Favored Glycine 0 N--CA 1.447 -0.582 0 C-N-CA 120.766 -0.73 . . . . 0.0 112.832 -178.514 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 96.0 mt -95.59 141.36 29.19 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 116.961 0.38 . . . . 0.0 110.149 179.531 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 46' ' ' GLU . . . . . 0.575 ' HA ' ' HA ' ' A' ' 6' ' ' SER . 45.9 mt-10 -71.28 136.75 48.08 Favored 'General case' 0 C--N 1.32 -0.683 0 N-CA-C 109.542 -0.54 . . . . 0.0 109.542 175.778 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 14.6 tt -60.9 -23.06 28.32 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.573 0 CA-C-N 115.966 -0.561 . . . . 0.0 112.148 -170.098 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 68.7 mt-30 -90.77 -5.74 55.27 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.757 -0.201 . . . . 0.0 111.229 178.912 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 21.4 t70 -122.31 6.53 9.64 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-O 120.892 0.377 . . . . 0.0 111.384 -172.76 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 50' ' ' ILE . . . . . 0.472 HG13 ' O ' ' A' ' 46' ' ' GLU . 74.1 mt -71.83 127.11 33.44 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 CA-C-O 121.008 0.432 . . . . 0.0 110.516 179.388 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 1.5 pm0 -84.14 144.76 44.68 Favored Pre-proline 0 C--N 1.32 -0.682 0 CA-C-N 115.769 -0.65 . . . . 0.0 110.989 -178.975 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 52' ' ' PRO . . . . . 0.433 ' HB3' ' HB3' ' A' ' 98' ' ' ASP . 68.5 Cg_exo -51.86 -46.68 30.64 Favored 'Trans proline' 0 C--O 1.233 0.233 0 C-N-CA 123.486 2.79 . . . . 0.0 113.378 -178.96 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 53' ' ' MET . . . . . . . . . . . . . 89.7 mtp -69.25 -21.92 63.87 Favored 'General case' 0 C--N 1.328 -0.364 0 N-CA-C 111.842 0.312 . . . . 0.0 111.842 -174.966 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 7.3 tp60 -82.45 -31.94 29.21 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-O 121.365 0.602 . . . . 0.0 109.68 177.466 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 29.1 tp -69.87 -39.73 76.16 Favored 'General case' 0 C--N 1.324 -0.51 0 N-CA-C 109.27 -0.641 . . . . 0.0 109.27 175.323 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 2.6 tm? -64.56 -29.64 70.66 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 115.763 -0.653 . . . . 0.0 109.414 173.664 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 57' ' ' GLU . . . . . 0.417 ' CD ' HH21 ' A' ' 60' ' ' ARG . 6.0 tp10 -63.19 -34.93 78.7 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.182 177.663 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 58' ' ' VAL . . . . . 0.459 HG12 HG13 ' A' ' 38' ' ' ILE . 76.7 t -61.82 -54.47 34.25 Favored 'Isoleucine or valine' 0 C--O 1.233 0.184 0 CA-C-O 120.962 0.41 . . . . 0.0 110.406 173.481 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 59' ' ' ILE . . . . . . . . . . . . . 1.8 mp -55.32 -44.08 73.92 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.272 0 CA-C-N 115.998 -0.546 . . . . 0.0 110.387 177.906 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 60' ' ' ARG . . . . . 0.417 HH21 ' CD ' ' A' ' 57' ' ' GLU . 24.9 ttp180 -70.77 -23.56 62.42 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 115.712 -0.676 . . . . 0.0 111.142 -178.151 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 15.5 tpt180 -64.74 -40.5 95.42 Favored 'General case' 0 C--N 1.33 -0.259 0 N-CA-C 109.663 -0.495 . . . . 0.0 109.663 175.215 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 62' ' ' PHE . . . . . . . . . . . . . 79.4 m-85 -72.97 -30.03 63.52 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 115.975 -0.557 . . . . 0.0 111.023 176.309 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 34.8 tt0 -64.04 -39.42 94.06 Favored 'General case' 0 C--N 1.331 -0.206 0 N-CA-C 109.897 -0.409 . . . . 0.0 109.897 176.123 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 12.7 t70 -57.28 -37.35 72.25 Favored 'General case' 0 N--CA 1.463 0.19 0 CA-C-N 115.743 -0.662 . . . . 0.0 110.806 176.024 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 91.6 mtt-85 -75.55 -23.1 56.57 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 115.801 -0.636 . . . . 0.0 110.802 179.55 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 90.44 7.88 66.68 Favored Glycine 0 N--CA 1.447 -0.606 0 C-N-CA 120.7 -0.762 . . . . 0.0 111.223 -173.949 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -89.51 88.5 7.47 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-O 120.931 0.396 . . . . 0.0 110.253 -179.183 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 68' ' ' MET . . . . . 0.59 ' HA ' ' HE3' ' A' ' 68' ' ' MET . 0.0 OUTLIER -72.97 -35.12 66.86 Favored 'General case' 0 C--N 1.324 -0.538 0 CA-C-N 116.0 -0.545 . . . . 0.0 110.394 -176.038 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 24.0 tt0 -60.58 -54.5 44.71 Favored 'General case' 0 CA--C 1.519 -0.24 0 CA-C-N 116.028 -0.533 . . . . 0.0 110.014 178.229 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 70' ' ' ARG . . . . . 0.562 ' HD3' ' SD ' ' A' ' 33' ' ' MET . 48.3 mtt-85 -66.92 -25.13 66.22 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 115.474 -0.784 . . . . 0.0 110.968 -176.147 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -65.96 -50.19 65.21 Favored 'General case' 0 C--O 1.235 0.318 0 CA-C-O 121.156 0.503 . . . . 0.0 110.344 175.769 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 72' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -71.75 -27.99 63.36 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-O 121.284 0.564 . . . . 0.0 110.297 179.021 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 75.6 tttt -73.49 -37.95 65.55 Favored 'General case' 0 C--N 1.323 -0.546 0 CA-C-N 115.469 -0.787 . . . . 0.0 110.62 179.613 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -58.69 -51.46 69.85 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.508 -0.315 . . . . 0.0 110.237 175.535 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 70.6 ttt180 -51.06 -50.09 59.36 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 115.946 -0.57 . . . . 0.0 111.271 178.532 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 83.6 mtm180 -73.12 -27.54 61.75 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-N 115.833 -0.621 . . . . 0.0 111.801 -175.54 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 77' ' ' ARG . . . . . 0.606 ' NE ' ' HA ' ' A' ' 77' ' ' ARG . 0.0 OUTLIER -79.06 -35.25 42.84 Favored 'General case' 0 C--N 1.329 -0.291 0 C-N-CA 120.71 -0.396 . . . . 0.0 110.066 179.266 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 78' ' ' CYS . . . . . . . . . . . . . 94.9 m -65.83 -40.18 91.56 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 120.805 0.336 . . . . 0.0 110.184 174.547 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . -60.98 -33.22 83.02 Favored Glycine 0 C--N 1.334 0.421 0 C-N-CA 120.896 -0.669 . . . . 0.0 111.931 174.768 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 80' ' ' GLU . . . . . 0.423 ' HB3' ' O ' ' A' ' 77' ' ' ARG . 28.1 tp10 -65.1 -43.58 91.61 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-O 120.9 0.381 . . . . 0.0 110.254 175.208 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 81' ' ' VAL . . . . . 0.405 HG21 ' O ' ' A' ' 77' ' ' ARG . 62.0 t -64.86 -40.46 89.15 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.251 0 CA-C-N 116.291 -0.413 . . . . 0.0 110.455 177.012 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 82' ' ' PHE . . . . . 0.435 ' O ' HG13 ' A' ' 86' ' ' ILE . 19.1 m-85 -60.1 -43.43 95.59 Favored 'General case' 0 C--N 1.332 -0.154 0 CA-C-N 116.292 -0.413 . . . . 0.0 110.378 176.379 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 31.8 ttt180 -57.37 -49.76 75.13 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 115.949 -0.569 . . . . 0.0 110.307 175.968 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 84' ' ' TYR . . . . . . . . . . . . . 64.4 t80 -56.11 -42.76 77.33 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 115.941 -0.572 . . . . 0.0 110.428 179.072 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -67.62 -35.59 79.23 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 115.819 -0.628 . . . . 0.0 111.839 -178.179 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 86' ' ' ILE . . . . . 0.435 HG13 ' O ' ' A' ' 82' ' ' PHE . 82.2 mt -66.93 -42.59 89.08 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.446 0 CA-C-O 121.061 0.457 . . . . 0.0 110.17 176.982 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 87' ' ' VAL . . . . . . . . . . . . . 64.5 t -68.06 -33.86 63.45 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.37 0 CA-C-N 115.884 -0.598 . . . . 0.0 110.907 179.416 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 88' ' ' THR . . . . . . . . . . . . . 17.0 p -85.2 0.42 51.89 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-O 120.875 0.369 . . . . 0.0 111.467 179.903 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . 69.39 30.86 71.18 Favored Glycine 0 N--CA 1.452 -0.286 0 C-N-CA 121.194 -0.527 . . . . 0.0 112.757 177.227 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 99.2 mtt180 -113.29 -3.38 13.84 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-O 120.568 0.223 . . . . 0.0 111.022 179.624 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . -139.04 130.71 27.4 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-O 120.893 0.378 . . . . 0.0 110.884 176.924 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 63.7 tttp -96.63 -34.73 11.29 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 115.757 -0.656 . . . . 0.0 110.378 179.003 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 93' ' ' TYR . . . . . . . . . . . . . 87.7 t80 -142.71 144.37 32.66 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 115.573 -0.74 . . . . 0.0 109.683 -178.102 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 94' ' ' ASN . . . . . . . . . . . . . 26.2 p-10 -120.52 133.8 24.09 Favored Pre-proline 0 C--N 1.323 -0.55 0 CA-C-O 120.786 0.327 . . . . 0.0 110.459 178.228 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 95' ' ' PRO . . . . . . . . . . . . . 73.3 Cg_endo -76.7 34.28 0.44 Allowed 'Trans proline' 0 CA--C 1.529 0.255 0 C-N-CA 122.999 2.466 . . . . 0.0 113.04 -178.096 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 96' ' ' ALA . . . . . 0.522 ' N ' ' HD2' ' A' ' 97' ' ' PRO . . . -68.12 -48.31 38.14 Favored Pre-proline 0 CA--C 1.537 0.47 0 CA-C-N 116.333 -0.394 . . . . 0.0 111.661 -179.203 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 97' ' ' PRO . . . . . 0.522 ' HD2' ' N ' ' A' ' 96' ' ' ALA . 18.0 Cg_endo -60.62 -35.54 89.29 Favored 'Trans proline' 0 C--N 1.357 1.003 0 C-N-CA 121.82 1.68 . . . . 0.0 111.615 174.514 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 98' ' ' ASP . . . . . 0.433 ' HB3' ' HB3' ' A' ' 52' ' ' PRO . 15.0 m-20 -66.93 -37.96 85.3 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.022 -0.535 . . . . 0.0 110.268 178.987 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 99' ' ' LEU . . . . . 0.451 HD13 ' C ' ' A' ' 99' ' ' LEU . 3.3 tm? -54.76 -49.74 70.15 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 115.421 -0.808 . . . . 0.0 109.956 175.22 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 100' ' ' ALA . . . . . 0.541 ' O ' ' HG3' ' A' ' 104' ' ' LYS . . . -71.7 -24.57 61.83 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-N 115.787 -0.642 . . . . 0.0 110.967 -179.152 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 17.6 t70 -68.35 -50.41 53.4 Favored 'General case' 0 C--N 1.324 -0.531 0 CA-C-N 115.936 -0.575 . . . . 0.0 110.514 -179.724 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -65.51 -35.79 81.91 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-N 115.963 -0.562 . . . . 0.0 110.598 177.592 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 103' ' ' MET . . . . . . . . . . . . . 54.5 ttm -55.22 -39.54 69.78 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.087 -0.506 . . . . 0.0 111.12 177.494 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 104' ' ' LYS . . . . . 0.541 ' HG3' ' O ' ' A' ' 100' ' ' ALA . 43.7 mttp . . . . . 0 C--N 1.33 -0.252 0 CA-C-O 120.848 0.356 . . . . 0.0 110.79 178.596 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 29.1 p-10 . . . . . 0 C--O 1.236 0.359 0 N-CA-C 111.666 0.247 . . . . 0.0 111.666 . . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 62.1 p -69.75 154.07 42.49 Favored 'General case' 0 C--O 1.238 0.467 0 N-CA-C 110.011 -0.366 . . . . 0.0 110.011 176.916 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 7' ' ' PHE . . . . . . . . . . . . . 43.5 t80 -60.96 -41.09 95.67 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-N 116.38 -0.373 . . . . 0.0 110.548 -178.363 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 29.0 t -60.48 -39.53 87.97 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.463 -0.335 . . . . 0.0 111.185 179.487 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -66.87 -45.38 78.27 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.937 0.398 . . . . 0.0 111.163 -178.556 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 56.0 mt -73.46 -33.77 40.82 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.436 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.511 -179.806 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 0.4 OUTLIER -60.09 -41.02 91.61 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.232 173.39 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 4.9 tmtp? -63.57 -44.27 94.59 Favored 'General case' 0 C--N 1.326 -0.44 0 N-CA-C 109.915 -0.402 . . . . 0.0 109.915 179.66 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 10.4 tp10 -60.3 -49.56 77.12 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 115.95 -0.568 . . . . 0.0 110.154 176.261 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 14' ' ' TRP . . . . . 0.585 ' HH2' ' HD3' ' A' ' 77' ' ' ARG . 64.6 t90 -56.79 -49.2 76.05 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 115.431 -0.804 . . . . 0.0 110.614 177.121 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 15' ' ' TYR . . . . . 0.431 ' CE1' ' HB2' ' A' ' 31' ' ' ALA . 35.6 t80 -55.74 -50.83 69.32 Favored 'General case' 0 C--O 1.223 -0.297 0 CA-C-N 116.123 -0.49 . . . . 0.0 111.462 -179.827 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 41.1 mt-10 -62.45 -27.79 69.36 Favored 'General case' 0 C--N 1.327 -0.37 0 N-CA-C 111.71 0.263 . . . . 0.0 111.71 -176.994 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 17' ' ' HIS . . . . . . . . . . . . . 75.1 t60 -78.89 -43.91 23.87 Favored 'General case' 0 C--N 1.323 -0.554 0 CA-C-O 120.733 0.301 . . . . 0.0 110.396 178.264 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 18' ' ' LYS . . . . . 0.535 ' HG2' ' O ' ' A' ' 14' ' ' TRP . 24.9 mmmt -71.05 -25.3 62.58 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 121.248 0.547 . . . . 0.0 109.91 178.926 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 89.1 tttt -62.5 -16.68 57.01 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 115.484 -0.78 . . . . 0.0 111.007 -179.614 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 70.8 mm-40 -79.52 -28.59 41.35 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-O 120.725 0.297 . . . . 0.0 110.775 -179.993 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 28.3 m -100.94 -9.23 9.02 Favored 'Isoleucine or valine' 0 C--O 1.236 0.359 0 CA-C-O 120.838 0.352 . . . . 0.0 111.423 -177.612 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 22' ' ' TRP . . . . . . . . . . . . . 52.7 m0 -102.74 160.0 14.98 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-O 120.846 0.355 . . . . 0.0 110.25 177.808 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 5.8 p -77.32 133.71 38.7 Favored 'General case' 0 C--N 1.323 -0.567 0 N-CA-C 108.645 -0.872 . . . . 0.0 108.645 170.921 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 43.0 t -56.32 -38.52 55.59 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.421 0 N-CA-C 112.147 0.425 . . . . 0.0 112.147 -171.688 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -58.24 -51.92 55.68 Favored Glycine 0 N--CA 1.451 -0.358 0 C-N-CA 120.712 -0.756 . . . . 0.0 111.76 177.146 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 26' ' ' TYR . . . . . . . . . . . . . 82.0 t80 -66.85 -40.63 87.99 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-O 120.673 0.273 . . . . 0.0 110.868 178.377 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -57.9 -39.26 77.48 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.004 -179.077 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 8.5 m -72.34 -37.07 68.94 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-N 116.453 -0.34 . . . . 0.0 110.827 -179.832 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 72.7 mm-40 -63.64 -45.71 89.0 Favored 'General case' 0 C--O 1.234 0.259 0 CA-C-O 120.952 0.406 . . . . 0.0 110.065 176.848 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 9.4 tt -64.0 -47.48 80.13 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 115.806 -0.634 . . . . 0.0 110.049 178.87 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 31' ' ' ALA . . . . . 0.431 ' HB2' ' CE1' ' A' ' 15' ' ' TYR . . . -58.37 -44.3 88.82 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 115.859 -0.609 . . . . 0.0 111.253 -178.485 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 86.0 tttt -67.11 -41.33 86.43 Favored 'General case' 0 C--O 1.221 -0.413 0 C-N-CA 120.165 -0.614 . . . . 0.0 111.009 -178.247 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 33' ' ' MET . . . . . . . . . . . . . 24.3 ttp -60.03 -46.84 88.17 Favored 'General case' 0 N--CA 1.465 0.29 0 CA-C-O 121.238 0.542 . . . . 0.0 109.684 177.759 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 34' ' ' PHE . . . . . 0.453 ' CD2' HG13 ' A' ' 38' ' ' ILE . 26.7 t80 -57.96 -60.04 4.34 Favored 'General case' 0 C--O 1.219 -0.514 0 CA-C-N 115.097 -0.956 . . . . 0.0 109.236 177.456 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 35' ' ' ASP . . . . . 0.611 ' HA ' HD21 ' A' ' 39' ' ' LEU . 13.9 t70 -54.19 -46.66 72.47 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-N 116.003 -0.544 . . . . 0.0 111.831 -178.693 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 27.3 t70 -63.45 -31.72 72.96 Favored 'General case' 0 C--N 1.327 -0.38 0 N-CA-C 112.382 0.512 . . . . 0.0 112.382 -173.676 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 5.1 m-20 -99.4 -39.92 8.14 Favored 'General case' 0 C--N 1.328 -0.346 0 N-CA-C 111.83 0.307 . . . . 0.0 111.83 179.213 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 38' ' ' ILE . . . . . 0.453 HG13 ' CD2' ' A' ' 34' ' ' PHE . 25.8 mm -67.04 -44.99 87.91 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 CA-C-N 116.347 -0.388 . . . . 0.0 111.784 -177.086 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 39' ' ' LEU . . . . . 0.611 HD21 ' HA ' ' A' ' 35' ' ' ASP . 2.6 mm? -60.92 -51.9 76.11 Favored Pre-proline 0 C--N 1.326 -0.422 0 N-CA-C 113.421 0.897 . . . . 0.0 113.421 -171.703 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 40' ' ' PRO . . . . . 0.405 ' HD2' ' N ' ' A' ' 39' ' ' LEU . 44.4 Cg_endo -68.42 -3.6 11.3 Favored 'Trans proline' 0 C--N 1.35 0.657 0 C-N-CA 121.909 1.739 . . . . 0.0 113.184 -179.623 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 41' ' ' ILE . . . . . 0.597 HG21 HG21 ' A' ' 42' ' ' ILE . 36.3 mm -110.63 -56.11 4.6 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.376 0 CA-C-O 120.507 0.194 . . . . 0.0 111.369 179.76 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 42' ' ' ILE . . . . . 0.597 HG21 HG21 ' A' ' 41' ' ' ILE . 6.0 pt -136.2 4.17 0.92 Allowed 'Isoleucine or valine' 0 N--CA 1.467 0.404 0 N-CA-C 112.842 0.682 . . . . 0.0 112.842 -173.864 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 43' ' ' GLY . . . . . 0.59 ' HA3' ' HA ' ' A' ' 39' ' ' LEU . . . -59.65 -40.55 96.61 Favored Glycine 0 CA--C 1.51 -0.271 0 C-N-CA 120.507 -0.854 . . . . 0.0 113.262 -173.257 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -91.5 12.08 70.32 Favored Glycine 0 N--CA 1.441 -1.009 0 C-N-CA 120.645 -0.788 . . . . 0.0 112.338 -177.867 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 81.2 mt -96.76 152.49 18.62 Favored 'General case' 0 N--CA 1.449 -0.478 0 CA-C-N 116.886 0.343 . . . . 0.0 110.153 179.804 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 46' ' ' GLU . . . . . 0.545 ' O ' HG13 ' A' ' 50' ' ' ILE . 43.4 mt-10 -68.59 137.25 54.12 Favored 'General case' 0 C--N 1.324 -0.534 0 N-CA-C 108.766 -0.827 . . . . 0.0 108.766 174.597 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 47' ' ' ILE . . . . . 0.462 HD11 ' HA ' ' A' ' 82' ' ' PHE . 19.0 tt -61.96 -21.36 26.0 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.584 0 CA-C-O 121.424 0.63 . . . . 0.0 110.796 -177.313 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 42.8 mt-30 -86.71 -20.7 27.33 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 115.654 -0.703 . . . . 0.0 110.871 178.427 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 20.9 t70 -113.41 22.11 14.52 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-O 121.254 0.549 . . . . 0.0 111.092 -166.38 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 50' ' ' ILE . . . . . 0.545 HG13 ' O ' ' A' ' 46' ' ' GLU . 83.6 mt -88.94 128.31 41.14 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.045 179.778 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 51' ' ' GLU . . . . . 0.962 ' HB2' ' HB2' ' A' ' 54' ' ' GLN . 57.3 mm-40 -67.52 145.05 98.18 Favored Pre-proline 0 C--N 1.327 -0.398 0 CA-C-N 115.526 -0.761 . . . . 0.0 110.681 179.576 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 52' ' ' PRO . . . . . . . . . . . . . 44.9 Cg_exo -57.04 -45.14 37.97 Favored 'Trans proline' 0 C--N 1.342 0.23 0 C-N-CA 122.545 2.163 . . . . 0.0 112.114 176.738 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 53' ' ' MET . . . . . 0.412 ' HA ' ' HB3' ' A' ' 56' ' ' LEU . 85.1 mtp -78.32 -8.29 58.24 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 120.966 0.413 . . . . 0.0 110.699 179.459 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 54' ' ' GLN . . . . . 0.962 ' HB2' ' HB2' ' A' ' 51' ' ' GLU . 31.3 tp60 -81.46 -41.46 21.76 Favored 'General case' 0 C--N 1.324 -0.512 0 N-CA-C 108.818 -0.808 . . . . 0.0 108.818 176.868 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 28.8 tp -65.57 -37.42 86.62 Favored 'General case' 0 C--N 1.324 -0.531 0 CA-C-N 115.423 -0.808 . . . . 0.0 109.034 172.725 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 56' ' ' LEU . . . . . 0.512 HD23 ' O ' ' A' ' 56' ' ' LEU . 1.9 tm? -63.42 -34.73 78.38 Favored 'General case' 0 C--O 1.221 -0.44 0 CA-C-N 115.608 -0.724 . . . . 0.0 109.911 173.344 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 57' ' ' GLU . . . . . 0.468 ' HG3' ' NH2' ' A' ' 60' ' ' ARG . 28.4 tt0 -59.88 -36.35 76.74 Favored 'General case' 0 C--N 1.325 -0.465 0 N-CA-C 110.404 -0.221 . . . . 0.0 110.404 179.783 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 58' ' ' VAL . . . . . 0.496 ' O ' ' HB3' ' A' ' 61' ' ' ARG . 90.4 t -62.31 -57.98 9.63 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.381 0 CA-C-O 121.12 0.486 . . . . 0.0 110.995 173.639 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 59' ' ' ILE . . . . . 0.515 HG22 ' HE2' ' A' ' 103' ' ' MET . 1.7 mp -58.24 -44.2 87.46 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.42 0 CA-C-N 116.043 -0.526 . . . . 0.0 110.716 -179.178 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 60' ' ' ARG . . . . . 0.468 ' NH2' ' HG3' ' A' ' 57' ' ' GLU . 34.0 ttp180 -62.03 -32.83 73.37 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 115.816 -0.629 . . . . 0.0 110.453 178.15 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 61' ' ' ARG . . . . . 0.496 ' HB3' ' O ' ' A' ' 58' ' ' VAL . 19.8 tpt85 -61.81 -35.56 78.57 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 115.82 -0.627 . . . . 0.0 110.235 176.991 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 62' ' ' PHE . . . . . . . . . . . . . 71.7 m-85 -75.34 -42.91 53.2 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.589 175.415 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 42.7 mt-10 -61.32 -29.41 69.86 Favored 'General case' 0 N--CA 1.465 0.288 0 CA-C-O 121.044 0.449 . . . . 0.0 111.026 179.317 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 35.9 t70 -61.6 -26.69 68.14 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-N 115.617 -0.72 . . . . 0.0 110.776 178.147 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 65' ' ' ARG . . . . . 0.408 ' NH1' ' HG3' ' A' ' 61' ' ' ARG . 2.6 mpp_? -102.99 -0.07 31.43 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.865 177.28 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 81.57 13.12 80.77 Favored Glycine 0 N--CA 1.447 -0.587 0 C-N-CA 120.458 -0.877 . . . . 0.0 111.779 179.548 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 67' ' ' ALA . . . . . 0.454 ' HB2' ' HB2' ' A' ' 70' ' ' ARG . . . -83.4 73.81 10.13 Favored 'General case' 0 C--N 1.321 -0.631 0 N-CA-C 109.738 -0.467 . . . . 0.0 109.738 178.223 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 68' ' ' MET . . . . . . . . . . . . . 38.7 mmm -71.72 -40.07 69.69 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-N 115.876 -0.602 . . . . 0.0 110.623 -173.093 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 19.6 mm-40 -69.83 -35.66 74.96 Favored 'General case' 0 C--N 1.323 -0.58 0 CA-C-N 115.85 -0.614 . . . . 0.0 110.019 179.498 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 70' ' ' ARG . . . . . 0.454 ' HB2' ' HB2' ' A' ' 67' ' ' ALA . 70.2 mtt180 -69.97 -34.24 73.13 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.253 176.887 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 71' ' ' ALA . . . . . 0.5 ' HB3' HG23 ' A' ' 59' ' ' ILE . . . -62.34 -49.36 75.9 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-O 120.97 0.414 . . . . 0.0 110.147 175.803 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 72' ' ' ASN . . . . . . . . . . . . . 29.5 m-80 -61.1 -36.99 81.15 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 115.814 -0.63 . . . . 0.0 110.828 175.398 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 85.0 tttt -63.71 -50.96 67.12 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 115.826 -0.625 . . . . 0.0 110.117 178.408 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -55.1 -49.76 70.9 Favored 'General case' 0 CA--C 1.52 -0.201 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.423 177.478 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 75.2 ttt180 -51.26 -46.6 62.44 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 115.114 -0.948 . . . . 0.0 111.776 179.51 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 45.1 ttm-85 -74.17 -44.03 55.06 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.545 -0.298 . . . . 0.0 111.399 -177.382 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 77' ' ' ARG . . . . . 0.585 ' HD3' ' HH2' ' A' ' 14' ' ' TRP . 2.2 mmp_? -60.26 -42.38 95.21 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.546 -0.297 . . . . 0.0 110.353 -179.869 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 78' ' ' CYS . . . . . . . . . . . . . 85.2 m -64.41 -39.12 93.23 Favored 'General case' 0 CA--C 1.523 -0.082 0 CA-C-N 116.427 -0.352 . . . . 0.0 110.465 177.843 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . -55.03 -36.93 61.71 Favored Glycine 0 C--N 1.333 0.38 0 C-N-CA 121.255 -0.498 . . . . 0.0 112.382 177.695 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 47.3 mt-10 -71.4 -36.29 71.31 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-O 120.501 0.191 . . . . 0.0 111.291 177.408 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 56.6 t -61.31 -46.74 96.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-O 121.062 0.458 . . . . 0.0 109.777 175.322 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 82' ' ' PHE . . . . . 0.472 ' O ' HG13 ' A' ' 86' ' ' ILE . 67.2 m-85 -61.75 -41.22 97.39 Favored 'General case' 0 C--N 1.333 -0.14 0 CA-C-N 115.785 -0.643 . . . . 0.0 110.123 174.794 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 83' ' ' ARG . . . . . 0.461 ' O ' HG23 ' A' ' 87' ' ' VAL . 40.0 ttm180 -58.22 -46.72 85.38 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 115.746 -0.661 . . . . 0.0 111.122 -179.903 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 84' ' ' TYR . . . . . . . . . . . . . 68.2 t80 -60.43 -41.57 94.26 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-O 120.808 0.337 . . . . 0.0 110.114 178.416 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 85' ' ' ALA . . . . . 0.435 ' HA ' HG21 ' A' ' 88' ' ' THR . . . -63.53 -32.55 74.04 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 115.943 -0.571 . . . . 0.0 111.066 178.82 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 86' ' ' ILE . . . . . 0.472 HG13 ' O ' ' A' ' 82' ' ' PHE . 75.2 mt -71.28 -44.25 73.23 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.4 0 CA-C-O 120.704 0.288 . . . . 0.0 110.237 176.296 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 87' ' ' VAL . . . . . 0.461 HG23 ' O ' ' A' ' 83' ' ' ARG . 92.5 t -60.73 -41.19 87.44 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.237 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.036 179.407 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 88' ' ' THR . . . . . 0.514 HG23 ' HG3' ' A' ' 90' ' ' ARG . 15.2 t -81.99 5.87 17.87 Favored 'General case' 0 CA--C 1.537 0.477 0 CA-C-O 121.007 0.432 . . . . 0.0 110.908 179.981 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . 67.66 30.45 74.75 Favored Glycine 0 C--N 1.329 0.18 0 C-N-CA 121.296 -0.478 . . . . 0.0 113.461 173.53 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 90' ' ' ARG . . . . . 0.514 ' HG3' HG23 ' A' ' 88' ' ' THR . 99.6 mtt180 -99.82 -41.2 7.35 Favored 'General case' 0 C--N 1.322 -0.601 0 CA-C-O 121.035 0.445 . . . . 0.0 110.25 176.785 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . -104.33 136.56 43.69 Favored 'General case' 0 C--N 1.32 -0.688 0 CA-C-N 115.822 -0.626 . . . . 0.0 110.278 179.028 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 62.4 tttp -101.42 -30.21 11.57 Favored 'General case' 0 C--N 1.32 -0.709 0 CA-C-O 121.333 0.587 . . . . 0.0 109.809 179.846 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 93' ' ' TYR . . . . . . . . . . . . . 93.0 t80 -146.88 135.55 22.11 Favored 'General case' 0 C--N 1.321 -0.664 0 CA-C-N 115.416 -0.811 . . . . 0.0 110.276 -177.05 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 94' ' ' ASN . . . . . . . . . . . . . 26.2 p-10 -112.37 133.78 21.7 Favored Pre-proline 0 C--N 1.32 -0.704 0 CA-C-N 115.961 -0.563 . . . . 0.0 109.798 176.503 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 95' ' ' PRO . . . . . . . . . . . . . 73.8 Cg_endo -76.99 36.9 0.55 Allowed 'Trans proline' 0 CA--C 1.532 0.379 0 C-N-CA 122.705 2.27 . . . . 0.0 112.905 -177.304 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 96' ' ' ALA . . . . . 0.515 ' N ' ' HD2' ' A' ' 97' ' ' PRO . . . -70.45 -46.53 19.19 Favored Pre-proline 0 CA--C 1.537 0.471 0 CA-C-N 116.324 -0.398 . . . . 0.0 111.816 179.754 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 97' ' ' PRO . . . . . 0.515 ' HD2' ' N ' ' A' ' 96' ' ' ALA . 20.5 Cg_endo -63.06 -34.2 70.78 Favored 'Trans proline' 0 C--N 1.355 0.92 0 C-N-CA 121.686 1.591 . . . . 0.0 111.723 174.499 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 3.8 m-20 -66.04 -44.31 85.01 Favored 'General case' 0 CA--C 1.518 -0.265 0 CA-C-N 115.818 -0.628 . . . . 0.0 109.547 176.736 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 99' ' ' LEU . . . . . 0.428 ' HB3' ' O ' ' A' ' 96' ' ' ALA . 1.7 tm? -51.67 -46.44 63.79 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 114.978 -1.01 . . . . 0.0 110.313 174.528 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 100' ' ' ALA . . . . . 0.528 ' O ' ' HG3' ' A' ' 104' ' ' LYS . . . -60.96 -52.18 66.1 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.416 -179.339 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 13.3 t70 -66.36 -42.12 88.49 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.066 -174.966 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -61.52 -44.95 96.13 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 115.995 -0.548 . . . . 0.0 110.656 178.232 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 103' ' ' MET . . . . . 0.515 ' HE2' HG22 ' A' ' 59' ' ' ILE . 29.5 ttm -55.39 -35.51 65.39 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 115.986 -0.552 . . . . 0.0 110.954 177.798 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 104' ' ' LYS . . . . . 0.528 ' HG3' ' O ' ' A' ' 100' ' ' ALA . 94.0 mttt . . . . . 0 C--N 1.326 -0.427 0 CA-C-N 115.926 -0.579 . . . . 0.0 111.071 -179.939 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 3.7 m-20 . . . . . 0 C--O 1.233 0.229 0 CA-C-O 120.509 0.195 . . . . 0.0 110.687 . . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' A' A ' 6' ' ' SER . . . . . 0.563 ' HA ' ' HA ' ' A' ' 46' ' ' GLU . 91.2 p -76.77 155.52 33.08 Favored 'General case' 0 C--O 1.237 0.406 0 N-CA-C 109.868 -0.419 . . . . 0.0 109.868 179.926 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 7' ' ' PHE . . . . . 0.506 ' HB2' HD11 ' A' ' 50' ' ' ILE . 33.1 t80 -61.56 -38.74 88.6 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.046 -179.779 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 33.1 p -58.13 -45.33 87.51 Favored 'General case' 0 C--O 1.236 0.366 0 CA-C-N 116.31 -0.405 . . . . 0.0 111.409 178.375 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -64.81 -51.63 61.12 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.002 -0.544 . . . . 0.0 111.094 -177.58 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 54.4 mt -68.34 -33.51 60.84 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 CA-C-N 115.953 -0.567 . . . . 0.0 110.84 -178.222 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 11' ' ' TYR . . . . . 0.527 ' OH ' ' HA ' ' A' ' 31' ' ' ALA . 89.6 t80 -62.51 -48.83 77.83 Favored 'General case' 0 C--O 1.22 -0.449 0 CA-C-N 116.508 -0.315 . . . . 0.0 110.992 179.142 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 62.3 tttm -64.44 -37.25 86.89 Favored 'General case' 0 C--N 1.332 -0.178 0 C-N-CA 120.554 -0.458 . . . . 0.0 110.548 -178.855 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 37.4 tt0 -59.62 -50.08 75.25 Favored 'General case' 0 C--N 1.323 -0.556 0 CA-C-O 121.627 0.727 . . . . 0.0 109.903 177.593 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 14' ' ' TRP . . . . . . . . . . . . . 68.0 t90 -65.13 -42.37 93.95 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-N 114.97 -1.014 . . . . 0.0 110.897 176.565 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 15' ' ' TYR . . . . . 0.413 ' CE1' ' HB1' ' A' ' 31' ' ' ALA . 45.1 t80 -60.4 -49.05 79.13 Favored 'General case' 0 C--O 1.223 -0.302 0 CA-C-N 116.027 -0.533 . . . . 0.0 111.468 179.473 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 2.4 tp10 -60.1 -39.24 85.5 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-O 121.068 0.461 . . . . 0.0 110.282 -177.259 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 17' ' ' HIS . . . . . . . . . . . . . 57.7 t60 -68.45 -47.72 66.43 Favored 'General case' 0 CA--C 1.535 0.396 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.438 177.084 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 29.7 mmtm -68.52 -14.96 63.36 Favored 'General case' 0 N--CA 1.466 0.326 0 CA-C-N 116.355 -0.384 . . . . 0.0 111.601 179.457 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 87.3 tttt -64.42 -21.36 66.62 Favored 'General case' 0 C--N 1.323 -0.569 0 CA-C-N 115.857 -0.611 . . . . 0.0 110.842 -179.027 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 72.8 mt-30 -92.49 -3.14 55.62 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 116.295 -0.411 . . . . 0.0 110.436 178.55 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 47.6 t -97.14 -47.98 12.53 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 CA-C-N 116.081 -0.509 . . . . 0.0 110.373 -178.351 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 22' ' ' TRP . . . . . . . . . . . . . 5.9 m0 -93.46 178.01 5.84 Favored 'General case' 0 C--N 1.323 -0.568 0 CA-C-N 115.968 -0.56 . . . . 0.0 110.079 179.418 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 24.2 p -81.61 142.95 32.31 Favored 'General case' 0 C--N 1.325 -0.482 0 N-CA-C 109.383 -0.599 . . . . 0.0 109.383 174.698 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 14.6 p -58.17 -34.35 49.32 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.293 0 N-CA-C 111.722 0.267 . . . . 0.0 111.722 -175.904 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -63.44 -50.32 63.2 Favored Glycine 0 N--CA 1.448 -0.532 0 C-N-CA 120.597 -0.811 . . . . 0.0 111.882 178.207 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 26' ' ' TYR . . . . . . . . . . . . . 83.0 t80 -70.0 -38.88 76.08 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-O 120.624 0.25 . . . . 0.0 110.502 -179.993 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -61.68 -39.67 92.23 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.274 -0.421 . . . . 0.0 111.091 -179.833 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 87.7 m -65.8 -42.82 90.24 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 116.657 -0.247 . . . . 0.0 110.603 178.581 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 50.5 mt-10 -64.98 -44.67 88.55 Favored 'General case' 0 C--N 1.332 -0.168 0 CA-C-O 120.802 0.334 . . . . 0.0 110.496 176.588 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 30' ' ' LEU . . . . . 0.671 HD13 ' HE ' ' A' ' 77' ' ' ARG . 9.9 tt -56.59 -48.55 77.17 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 115.674 -0.694 . . . . 0.0 109.999 177.742 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 31' ' ' ALA . . . . . 0.527 ' HA ' ' OH ' ' A' ' 11' ' ' TYR . . . -65.69 -37.34 86.18 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 116.002 -0.545 . . . . 0.0 110.989 179.399 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 66.5 tttm -66.64 -35.71 80.82 Favored 'General case' 0 CA--C 1.521 -0.159 0 CA-C-O 120.789 0.328 . . . . 0.0 110.473 179.754 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 33' ' ' MET . . . . . . . . . . . . . 54.7 ttp -59.93 -39.36 85.24 Favored 'General case' 0 C--N 1.325 -0.493 0 N-CA-C 109.532 -0.544 . . . . 0.0 109.532 176.802 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 34' ' ' PHE . . . . . 0.616 ' O ' ' HB ' ' A' ' 38' ' ' ILE . 28.6 m-85 -75.34 -39.41 59.4 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 115.807 -0.633 . . . . 0.0 111.14 175.895 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 35' ' ' ASP . . . . . 0.689 ' O ' ' HB2' ' A' ' 39' ' ' LEU . 44.6 m-20 -54.86 -57.22 12.49 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-O 121.095 0.474 . . . . 0.0 110.339 175.945 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 11.7 t70 -70.98 -38.65 72.75 Favored 'General case' 0 C--N 1.321 -0.653 0 CA-C-N 115.439 -0.8 . . . . 0.0 112.687 -169.126 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 44.0 m-20 -108.62 -19.93 13.26 Favored 'General case' 0 C--N 1.329 -0.32 0 N-CA-C 113.13 0.789 . . . . 0.0 113.13 -173.793 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 38' ' ' ILE . . . . . 0.616 ' HB ' ' O ' ' A' ' 34' ' ' PHE . 1.3 mp -96.41 -42.18 11.94 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.42 0 O-C-N 121.895 -0.503 . . . . 0.0 111.468 179.126 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 39' ' ' LEU . . . . . 0.689 ' HB2' ' O ' ' A' ' 35' ' ' ASP . 3.3 mm? -63.12 -46.6 86.35 Favored Pre-proline 0 CA--C 1.54 0.571 0 N-CA-C 113.105 0.78 . . . . 0.0 113.105 -173.843 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 40' ' ' PRO . . . . . 0.449 ' HD3' ' O ' ' A' ' 35' ' ' ASP . 17.8 Cg_exo -69.01 -7.49 20.99 Favored 'Trans proline' 0 C--N 1.354 0.857 0 C-N-CA 121.931 1.754 . . . . 0.0 112.529 177.959 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 41' ' ' ILE . . . . . 0.622 HG22 HG23 ' A' ' 42' ' ' ILE . 48.2 mm -102.34 -63.03 1.85 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.389 0 CA-C-N 116.49 -0.323 . . . . 0.0 110.66 179.606 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 42' ' ' ILE . . . . . 0.622 HG23 HG22 ' A' ' 41' ' ' ILE . 12.2 pt -127.58 13.05 3.34 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 N-CA-C 111.829 0.307 . . . . 0.0 111.829 -176.089 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 43' ' ' GLY . . . . . 0.459 ' HA3' HD12 ' A' ' 39' ' ' LEU . . . -54.64 -50.04 59.0 Favored Glycine 0 N--CA 1.452 -0.284 0 C-N-CA 121.27 -0.49 . . . . 0.0 113.558 -172.642 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -94.21 15.7 62.63 Favored Glycine 0 N--CA 1.449 -0.488 0 C-N-CA 120.608 -0.806 . . . . 0.0 112.81 -176.554 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 45' ' ' LEU . . . . . 0.402 HD12 HG21 ' A' ' 42' ' ' ILE . 93.7 mt -93.43 146.4 23.79 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 117.1 0.45 . . . . 0.0 110.191 179.731 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 46' ' ' GLU . . . . . 0.621 ' O ' HG13 ' A' ' 50' ' ' ILE . 35.2 mt-10 -68.35 136.46 53.41 Favored 'General case' 0 C--N 1.325 -0.481 0 N-CA-C 108.881 -0.785 . . . . 0.0 108.881 175.699 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 47' ' ' ILE . . . . . 0.422 HD11 ' HB3' ' A' ' 85' ' ' ALA . 15.1 tt -60.3 -23.22 27.18 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.701 0 CA-C-O 120.885 0.374 . . . . 0.0 111.696 -174.373 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 53.0 tt0 -94.96 -6.57 42.12 Favored 'General case' 0 CA--C 1.535 0.379 0 CA-C-O 121.24 0.543 . . . . 0.0 110.568 178.571 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 24.7 t70 -107.61 -11.68 15.4 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-O 121.18 0.514 . . . . 0.0 110.513 -177.515 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 50' ' ' ILE . . . . . 0.621 HG13 ' O ' ' A' ' 46' ' ' GLU . 85.9 mt -60.05 128.6 21.33 Favored 'Isoleucine or valine' 0 C--O 1.233 0.232 0 CA-C-N 115.588 -0.733 . . . . 0.0 111.432 -178.34 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 51' ' ' GLU . . . . . 0.412 ' HB2' ' CB ' ' A' ' 54' ' ' GLN . 4.0 mm-40 -72.24 130.03 86.79 Favored Pre-proline 0 C--N 1.323 -0.584 0 CA-C-N 115.265 -0.88 . . . . 0.0 109.97 178.969 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 52' ' ' PRO . . . . . . . . . . . . . 17.9 Cg_endo -60.17 -34.88 93.87 Favored 'Trans proline' 0 C--N 1.341 0.159 0 C-N-CA 122.475 2.117 . . . . 0.0 111.684 178.723 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 53' ' ' MET . . . . . . . . . . . . . 63.4 mtt -75.32 -22.66 57.49 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 115.814 -0.63 . . . . 0.0 110.37 179.39 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 54' ' ' GLN . . . . . 0.524 ' O ' ' HB3' ' A' ' 57' ' ' GLU . 39.9 tt0 -87.31 -25.07 24.09 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-O 121.248 0.546 . . . . 0.0 109.663 178.858 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 38.2 tp -66.35 -30.68 71.13 Favored 'General case' 0 C--N 1.324 -0.522 0 N-CA-C 108.4 -0.963 . . . . 0.0 108.4 169.256 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 3.0 tm? -68.92 -35.35 76.73 Favored 'General case' 0 C--O 1.224 -0.242 0 CA-C-N 115.416 -0.811 . . . . 0.0 109.414 173.022 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 57' ' ' GLU . . . . . 0.524 ' HB3' ' O ' ' A' ' 54' ' ' GLN . 8.7 tp10 -56.02 -35.63 67.05 Favored 'General case' 0 CA--C 1.535 0.383 0 CA-C-O 120.788 0.327 . . . . 0.0 110.196 175.206 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 58' ' ' VAL . . . . . 0.624 ' O ' ' HB3' ' A' ' 61' ' ' ARG . 72.1 t -64.26 -56.84 14.2 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.272 0 CA-C-O 121.394 0.616 . . . . 0.0 111.01 174.521 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 59' ' ' ILE . . . . . 0.526 HG22 ' HB1' ' A' ' 71' ' ' ALA . 1.7 mp -60.07 -39.86 81.62 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.652 0 CA-C-N 115.834 -0.621 . . . . 0.0 110.725 -179.022 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 51.5 ttp85 -73.22 -20.36 60.88 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-N 115.86 -0.609 . . . . 0.0 110.547 -179.796 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 61' ' ' ARG . . . . . 0.624 ' HB3' ' O ' ' A' ' 58' ' ' VAL . 24.3 tpt180 -62.95 -45.04 94.34 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 115.92 -0.582 . . . . 0.0 109.489 172.238 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 62' ' ' PHE . . . . . . . . . . . . . 98.6 m-85 -70.78 -31.9 68.84 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 115.747 -0.66 . . . . 0.0 110.639 175.565 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 36.1 tt0 -56.86 -40.05 75.43 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 115.803 -0.635 . . . . 0.0 111.056 178.819 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 22.5 t70 -56.5 -38.02 71.21 Favored 'General case' 0 N--CA 1.464 0.235 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.124 -179.937 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 67.2 mtm-85 -92.7 7.36 43.86 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.919 -177.692 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 72.85 15.71 78.16 Favored Glycine 0 N--CA 1.45 -0.419 0 C-N-CA 121.017 -0.611 . . . . 0.0 112.787 177.677 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 67' ' ' ALA . . . . . 0.563 ' HB2' ' HB2' ' A' ' 70' ' ' ARG . . . -84.13 79.19 9.6 Favored 'General case' 0 C--N 1.322 -0.604 0 CA-C-O 120.988 0.423 . . . . 0.0 110.334 -179.234 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 68' ' ' MET . . . . . 0.812 ' HE1' ' HA ' ' A' ' 68' ' ' MET . 14.5 mmt -70.08 -48.35 58.11 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-N 115.971 -0.558 . . . . 0.0 110.928 -176.016 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 42.3 mt-10 -63.41 -43.27 98.01 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 116.543 -0.299 . . . . 0.0 110.846 179.162 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 70' ' ' ARG . . . . . 0.563 ' HB2' ' HB2' ' A' ' 67' ' ' ALA . 58.4 mtt-85 -65.91 -36.68 84.07 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.593 -0.276 . . . . 0.0 111.074 179.448 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 71' ' ' ALA . . . . . 0.526 ' HB1' HG22 ' A' ' 59' ' ' ILE . . . -61.27 -47.95 83.65 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 121.138 0.494 . . . . 0.0 110.777 178.08 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 72' ' ' ASN . . . . . . . . . . . . . 58.2 m-80 -72.1 -30.69 65.33 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.862 179.576 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 28.3 ttpt -69.84 -33.1 71.84 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.315 -0.402 . . . . 0.0 109.977 176.614 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -62.13 -49.23 76.7 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.034 -0.53 . . . . 0.0 109.735 173.105 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 6.5 ttm180 -56.38 -49.84 73.29 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-N 115.611 -0.722 . . . . 0.0 110.839 178.76 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 47.1 ttm-85 -58.76 -46.47 87.39 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 115.849 -0.614 . . . . 0.0 111.012 -176.708 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 77' ' ' ARG . . . . . 0.671 ' HE ' HD13 ' A' ' 30' ' ' LEU . 46.5 mtt85 -72.65 -37.87 67.86 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 116.054 -0.521 . . . . 0.0 111.628 -177.792 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 78' ' ' CYS . . . . . . . . . . . . . 82.6 m -60.44 -44.6 95.65 Favored 'General case' 0 C--N 1.327 -0.41 0 N-CA-C 109.328 -0.619 . . . . 0.0 109.328 173.376 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . -58.5 -35.48 80.22 Favored Glycine 0 N--CA 1.447 -0.591 0 CA-C-N 115.798 -0.637 . . . . 0.0 112.444 176.925 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 41.4 tt0 -69.12 -37.5 78.38 Favored 'General case' 0 C--N 1.332 -0.174 0 N-CA-C 109.993 -0.373 . . . . 0.0 109.993 177.886 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 81' ' ' VAL . . . . . 0.482 HG21 ' O ' ' A' ' 77' ' ' ARG . 68.8 t -64.23 -44.35 97.41 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.176 -0.465 . . . . 0.0 109.968 175.159 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 82' ' ' PHE . . . . . 0.478 ' O ' HG13 ' A' ' 86' ' ' ILE . 45.9 m-85 -58.43 -46.48 86.41 Favored 'General case' 0 N--CA 1.462 0.143 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.366 174.334 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 83' ' ' ARG . . . . . 0.508 ' O ' HG22 ' A' ' 87' ' ' VAL . 37.3 ttt180 -56.19 -50.11 72.14 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 115.802 -0.636 . . . . 0.0 110.474 177.28 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 84' ' ' TYR . . . . . . . . . . . . . 53.1 t80 -61.16 -37.41 82.78 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 115.825 -0.625 . . . . 0.0 110.709 -179.393 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 85' ' ' ALA . . . . . 0.451 ' HA ' HG23 ' A' ' 88' ' ' THR . . . -65.16 -36.35 83.94 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.294 -0.412 . . . . 0.0 111.06 177.708 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 86' ' ' ILE . . . . . 0.478 HG13 ' O ' ' A' ' 82' ' ' PHE . 76.4 mt -68.71 -34.87 67.17 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 CA-C-O 121.018 0.437 . . . . 0.0 110.155 177.131 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 87' ' ' VAL . . . . . 0.508 HG22 ' O ' ' A' ' 83' ' ' ARG . 76.4 t -68.19 -44.64 84.03 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.399 0 CA-C-N 116.065 -0.516 . . . . 0.0 110.925 178.403 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 88' ' ' THR . . . . . 0.483 HG22 ' HG3' ' A' ' 90' ' ' ARG . 9.8 t -78.98 -11.68 60.01 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.819 0.342 . . . . 0.0 111.139 -179.97 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . 88.8 19.33 51.91 Favored Glycine 0 N--CA 1.451 -0.36 0 C-N-CA 120.758 -0.734 . . . . 0.0 113.77 174.157 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 90' ' ' ARG . . . . . 0.483 ' HG3' HG22 ' A' ' 88' ' ' THR . 74.3 mtt180 -88.91 -18.17 28.07 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-N 117.152 0.476 . . . . 0.0 110.287 178.813 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . -137.61 158.07 45.17 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 115.862 -0.608 . . . . 0.0 109.829 177.497 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 88.1 tttt -106.18 -50.17 3.21 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-O 121.036 0.445 . . . . 0.0 110.504 -179.987 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 93' ' ' TYR . . . . . . . . . . . . . 0.0 OUTLIER -127.2 143.18 51.31 Favored 'General case' 0 C--N 1.323 -0.568 0 CA-C-N 115.905 -0.589 . . . . 0.0 109.93 -178.961 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 94' ' ' ASN . . . . . 0.455 ' HB3' ' HB3' ' A' ' 82' ' ' PHE . 17.6 p-10 -102.22 125.11 37.46 Favored Pre-proline 0 C--N 1.323 -0.57 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.159 179.516 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 95' ' ' PRO . . . . . . . . . . . . . 57.9 Cg_endo -71.9 36.02 0.31 Allowed 'Trans proline' 0 CA--C 1.532 0.394 0 C-N-CA 123.128 2.552 . . . . 0.0 113.085 -178.946 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 96' ' ' ALA . . . . . 0.526 ' N ' ' HD2' ' A' ' 97' ' ' PRO . . . -70.56 -48.1 17.31 Favored Pre-proline 0 CA--C 1.537 0.463 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.576 179.961 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 97' ' ' PRO . . . . . 0.526 ' HD2' ' N ' ' A' ' 96' ' ' ALA . 19.5 Cg_endo -60.03 -38.93 74.61 Favored 'Trans proline' 0 C--N 1.357 1.014 0 C-N-CA 121.779 1.652 . . . . 0.0 111.637 174.903 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 6.6 m-20 -66.42 -37.8 86.0 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 115.756 -0.657 . . . . 0.0 110.474 177.64 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 99' ' ' LEU . . . . . 0.409 HD13 ' C ' ' A' ' 99' ' ' LEU . 2.6 tm? -58.83 -50.06 75.37 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.011 -0.54 . . . . 0.0 110.024 175.823 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 100' ' ' ALA . . . . . 0.463 ' O ' ' HG3' ' A' ' 104' ' ' LYS . . . -62.18 -44.66 96.09 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.077 -0.511 . . . . 0.0 110.815 -179.315 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 38.3 t70 -65.25 -40.78 94.45 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.033 -0.53 . . . . 0.0 111.036 -179.235 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -64.93 -42.76 94.4 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 115.946 -0.57 . . . . 0.0 110.456 177.939 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 103' ' ' MET . . . . . 0.494 ' HE1' HG21 ' A' ' 59' ' ' ILE . 44.0 ttm -53.23 -38.26 62.79 Favored 'General case' 0 C--N 1.331 -0.2 0 CA-C-O 121.108 0.48 . . . . 0.0 110.65 177.579 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 104' ' ' LYS . . . . . 0.463 ' HG3' ' O ' ' A' ' 100' ' ' ALA . 84.6 mttt . . . . . 0 C--N 1.322 -0.623 0 CA-C-N 115.851 -0.613 . . . . 0.0 111.026 179.576 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 17.1 m . . . . . 0 N--CA 1.478 0.931 0 CA-C-O 120.772 0.32 . . . . 0.0 110.256 . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 9.4 p -75.91 -52.95 9.21 Favored 'General case' 0 C--N 1.322 -0.615 0 CA-C-N 116.118 -0.492 . . . . 0.0 111.243 -176.738 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 3' ' ' ASN . . . . . . . . . . . . . 92.0 m-20 -122.62 -174.87 3.02 Favored 'General case' 0 C--N 1.323 -0.553 0 CA-C-N 115.815 -0.63 . . . . 0.0 110.567 -175.65 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 4' ' ' ASN . . . . . . . . . . . . . 28.6 t-20 -77.47 -15.43 59.31 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-O 121.504 0.669 . . . . 0.0 109.687 175.637 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 7.0 m-20 -89.23 7.78 33.62 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 115.512 -0.767 . . . . 0.0 111.393 177.952 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 6' ' ' SER . . . . . 0.568 ' HA ' ' HA ' ' A' ' 46' ' ' GLU . 73.4 m -69.21 143.91 53.86 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 120.579 0.228 . . . . 0.0 110.49 177.732 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 7' ' ' PHE . . . . . . . . . . . . . 25.0 t80 -58.44 -48.3 81.17 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.014 -0.539 . . . . 0.0 111.453 -173.26 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 53.9 m -54.38 -40.59 68.32 Favored 'General case' 0 N--CA 1.465 0.275 0 N-CA-C 111.905 0.335 . . . . 0.0 111.905 179.887 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -62.53 -50.66 70.46 Favored 'General case' 0 C--O 1.236 0.346 0 CA-C-O 121.078 0.466 . . . . 0.0 110.784 -178.586 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 41.0 mt -68.49 -36.91 76.77 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.441 0 CA-C-N 115.752 -0.658 . . . . 0.0 110.286 -179.428 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 88.5 t80 -60.05 -42.29 94.14 Favored 'General case' 0 C--O 1.221 -0.429 0 CA-C-N 115.689 -0.687 . . . . 0.0 110.467 178.103 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 83.4 tttt -62.6 -43.65 98.27 Favored 'General case' 0 C--N 1.328 -0.327 0 C-N-CA 121.233 -0.187 . . . . 0.0 110.937 -179.826 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 95.7 mt-10 -60.29 -48.25 82.54 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-O 121.307 0.575 . . . . 0.0 110.42 178.419 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 14' ' ' TRP . . . . . 0.446 ' CH2' ' HH2' ' A' ' 22' ' ' TRP . 63.2 t90 -64.24 -42.51 96.49 Favored 'General case' 0 C--N 1.323 -0.571 0 CA-C-N 115.524 -0.762 . . . . 0.0 110.763 178.029 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 15' ' ' TYR . . . . . . . . . . . . . 16.9 t80 -60.02 -51.77 68.23 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 115.918 -0.583 . . . . 0.0 111.564 179.769 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 16' ' ' GLU . . . . . 0.413 ' HA ' ' HE2' ' A' ' 19' ' ' LYS . 28.6 mt-10 -68.23 -22.76 64.76 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-O 120.893 0.378 . . . . 0.0 111.181 -177.844 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 17' ' ' HIS . . . . . . . . . . . . . 30.3 t-80 -73.57 -48.38 33.32 Favored 'General case' 0 C--N 1.323 -0.544 0 N-CA-C 109.233 -0.655 . . . . 0.0 109.233 175.148 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 40.8 mmtm -70.85 -18.04 62.72 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 115.661 -0.7 . . . . 0.0 111.379 179.087 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 19' ' ' LYS . . . . . 0.413 ' HE2' ' HA ' ' A' ' 16' ' ' GLU . 36.4 ttpt -62.14 -21.68 65.24 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-O 121.184 0.516 . . . . 0.0 110.825 178.756 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 81.8 mt-30 -90.26 1.86 56.05 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.659 178.985 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 61.1 t -110.81 -49.49 6.5 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 CA-C-N 116.013 -0.54 . . . . 0.0 110.22 179.048 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 22' ' ' TRP . . . . . 0.446 ' HH2' ' CH2' ' A' ' 14' ' ' TRP . 14.4 m0 -81.27 171.5 14.75 Favored 'General case' 0 C--N 1.323 -0.551 0 CA-C-N 115.788 -0.642 . . . . 0.0 110.718 179.742 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 24.4 m -73.65 142.56 46.47 Favored 'General case' 0 C--N 1.322 -0.605 0 CA-C-N 115.872 -0.604 . . . . 0.0 109.611 172.873 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 13.9 p -55.18 -44.52 75.16 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.433 0 N-CA-C 111.901 0.334 . . . . 0.0 111.901 -175.924 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -65.75 -39.51 95.27 Favored Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.683 -0.77 . . . . 0.0 111.737 -179.532 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 26' ' ' TYR . . . . . . . . . . . . . 94.5 t80 -65.37 -47.28 76.95 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 115.505 -0.347 . . . . 0.0 110.344 177.422 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -59.96 -47.01 87.54 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.099 -0.501 . . . . 0.0 111.426 -178.175 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 49.3 m -56.74 -51.24 69.61 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 116.513 -0.312 . . . . 0.0 111.616 -179.972 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 37.7 mt-10 -78.05 -22.71 48.72 Favored 'General case' 0 C--N 1.327 -0.382 0 C-N-CA 120.848 -0.341 . . . . 0.0 111.58 -176.25 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 5.8 tt -62.79 -46.92 85.76 Favored 'General case' 0 C--N 1.331 -0.235 0 N-CA-C 109.52 -0.548 . . . . 0.0 109.52 172.214 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -65.93 -40.6 91.56 Favored 'General case' 0 N--CA 1.448 -0.543 0 CA-C-N 115.671 -0.695 . . . . 0.0 110.014 176.37 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 87.4 tttt -57.59 -46.36 84.12 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.173 -0.467 . . . . 0.0 112.123 -178.37 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 33' ' ' MET . . . . . . . . . . . . . 4.9 ppp? -72.64 -32.04 65.57 Favored 'General case' 0 N--CA 1.465 0.304 0 CA-C-O 120.811 0.339 . . . . 0.0 110.851 179.95 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 34' ' ' PHE . . . . . 0.702 ' HD2' HH21 ' A' ' 77' ' ' ARG . 36.5 t80 -66.75 -49.89 64.49 Favored 'General case' 0 C--N 1.328 -0.37 0 N-CA-C 109.175 -0.676 . . . . 0.0 109.175 175.605 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 35' ' ' ASP . . . . . 0.742 ' HA ' HD23 ' A' ' 39' ' ' LEU . 9.3 m-20 -58.79 -42.58 89.36 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.343 -0.389 . . . . 0.0 110.951 177.296 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 23.4 t70 -61.8 -40.92 96.92 Favored 'General case' 0 C--N 1.324 -0.521 0 N-CA-C 111.985 0.365 . . . . 0.0 111.985 -174.118 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 37' ' ' ASP . . . . . 0.504 ' HB3' ' HG2' ' A' ' 61' ' ' ARG . 41.5 m-20 -101.37 -39.91 7.35 Favored 'General case' 0 C--N 1.327 -0.402 0 N-CA-C 112.473 0.546 . . . . 0.0 112.473 -175.934 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 38' ' ' ILE . . . . . 0.543 ' HB ' ' O ' ' A' ' 34' ' ' PHE . 2.0 mp -74.48 -41.99 49.37 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.365 0 N-CA-C 111.861 0.319 . . . . 0.0 111.861 -175.88 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 39' ' ' LEU . . . . . 0.742 HD23 ' HA ' ' A' ' 35' ' ' ASP . 1.3 mm? -56.54 -49.08 95.63 Favored Pre-proline 0 N--CA 1.467 0.413 0 N-CA-C 112.771 0.656 . . . . 0.0 112.771 -175.02 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 48.2 Cg_exo -58.69 -19.0 43.69 Favored 'Trans proline' 0 C--N 1.353 0.792 0 C-N-CA 122.1 1.867 . . . . 0.0 112.825 176.261 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 41' ' ' ILE . . . . . 0.661 HG22 HG22 ' A' ' 42' ' ' ILE . 41.1 mm -98.75 -60.49 2.72 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 N-CA-C 111.672 0.249 . . . . 0.0 111.672 -176.61 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 42' ' ' ILE . . . . . 0.661 HG22 HG22 ' A' ' 41' ' ' ILE . 4.6 pt -135.58 7.49 1.0 Allowed 'Isoleucine or valine' 0 N--CA 1.467 0.385 0 N-CA-C 113.101 0.778 . . . . 0.0 113.101 -173.291 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 43' ' ' GLY . . . . . 0.567 ' HA3' ' HA ' ' A' ' 39' ' ' LEU . . . -57.86 -49.85 70.93 Favored Glycine 0 CA--C 1.516 0.141 0 C-N-CA 120.356 -0.926 . . . . 0.0 113.412 -172.299 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -85.48 5.97 81.66 Favored Glycine 0 N--CA 1.445 -0.707 0 C-N-CA 120.613 -0.803 . . . . 0.0 112.807 -175.9 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 86.9 mt -87.1 165.52 15.7 Favored 'General case' 0 N--CA 1.45 -0.443 0 CA-C-O 120.869 0.366 . . . . 0.0 110.267 179.804 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 46' ' ' GLU . . . . . 0.586 ' O ' HG13 ' A' ' 50' ' ' ILE . 44.7 mt-10 -83.34 137.6 33.89 Favored 'General case' 0 C--N 1.32 -0.677 0 N-CA-C 109.632 -0.507 . . . . 0.0 109.632 175.43 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 47' ' ' ILE . . . . . 0.434 HD13 ' HB1' ' A' ' 85' ' ' ALA . 15.1 tt -61.49 -23.49 30.82 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.534 0 CA-C-O 121.107 0.48 . . . . 0.0 111.302 -174.461 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 42.9 tt0 -91.45 -12.73 33.83 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.5 179.204 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 49' ' ' ASP . . . . . 0.409 ' HB2' ' HB2' ' A' ' 46' ' ' GLU . 0.5 OUTLIER -114.95 18.62 16.31 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 115.882 -0.599 . . . . 0.0 110.661 -170.735 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 50' ' ' ILE . . . . . 0.586 HG13 ' O ' ' A' ' 46' ' ' GLU . 85.0 mt -85.38 130.45 36.21 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 CA-C-N 115.946 -0.57 . . . . 0.0 110.703 179.874 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 40.4 mt-10 -74.52 142.75 78.16 Favored Pre-proline 0 C--N 1.325 -0.465 0 CA-C-N 115.967 -0.56 . . . . 0.0 110.574 -179.742 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 52' ' ' PRO . . . . . 0.66 ' HB3' ' HB3' ' A' ' 98' ' ' ASP . 9.3 Cg_endo -53.96 -41.86 71.58 Favored 'Trans proline' 0 C--N 1.345 0.356 0 C-N-CA 123.007 2.471 . . . . 0.0 112.471 179.164 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 53' ' ' MET . . . . . . . . . . . . . 64.0 mtt -72.47 -23.96 61.12 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.36 -0.382 . . . . 0.0 111.271 -178.354 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 59.9 mt-30 -74.25 -38.75 63.38 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 120.856 0.36 . . . . 0.0 110.832 178.875 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 55' ' ' LEU . . . . . 0.533 HD23 ' HB2' ' A' ' 99' ' ' LEU . 22.7 tp -65.89 -35.73 81.44 Favored 'General case' 0 C--N 1.322 -0.604 0 N-CA-C 109.096 -0.705 . . . . 0.0 109.096 175.6 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 2.6 tm? -70.06 -30.15 67.34 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 115.534 -0.757 . . . . 0.0 109.934 175.912 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 57' ' ' GLU . . . . . 0.404 ' HA ' ' HB2' ' A' ' 60' ' ' ARG . 34.9 tt0 -67.24 -31.45 71.82 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-O 120.793 0.33 . . . . 0.0 110.196 177.931 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 58' ' ' VAL . . . . . 0.451 ' O ' ' HB3' ' A' ' 61' ' ' ARG . 97.6 t -63.67 -49.72 81.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-O 121.409 0.623 . . . . 0.0 109.985 173.006 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 59' ' ' ILE . . . . . 0.504 HG21 ' HE1' ' A' ' 103' ' ' MET . 1.8 mp -61.22 -39.17 81.63 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.408 0 CA-C-N 115.648 -0.706 . . . . 0.0 110.015 176.112 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 60' ' ' ARG . . . . . 0.404 ' HB2' ' HA ' ' A' ' 57' ' ' GLU . 0.1 OUTLIER -56.82 -45.98 81.95 Favored 'General case' 0 C--O 1.231 0.129 0 CA-C-N 115.968 -0.56 . . . . 0.0 110.107 176.562 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 61' ' ' ARG . . . . . 0.504 ' HG2' ' HB3' ' A' ' 37' ' ' ASP . 10.3 tpt180 -51.55 -49.2 62.47 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 114.625 -1.171 . . . . 0.0 111.419 179.472 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 62' ' ' PHE . . . . . . . . . . . . . 87.7 m-85 -78.01 -43.66 28.83 Favored 'General case' 0 C--N 1.328 -0.367 0 N-CA-C 112.039 0.385 . . . . 0.0 112.039 -178.735 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 63' ' ' GLU . . . . . 0.728 ' HG3' ' HE3' ' A' ' 68' ' ' MET . 47.9 tt0 -62.19 -40.19 95.23 Favored 'General case' 0 N--CA 1.463 0.215 0 N-CA-C 111.692 0.256 . . . . 0.0 111.692 -174.816 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 35.5 t70 -65.05 -23.66 67.25 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.797 0.332 . . . . 0.0 111.165 -176.301 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 44.1 mtm-85 -84.96 -9.1 58.41 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.742 0.306 . . . . 0.0 110.525 177.589 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 99.33 -4.39 58.46 Favored Glycine 0 N--CA 1.448 -0.544 0 C-N-CA 120.651 -0.785 . . . . 0.0 111.882 179.429 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 67' ' ' ALA . . . . . 0.536 ' HB1' ' HB2' ' A' ' 70' ' ' ARG . . . -78.55 81.51 4.87 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-O 121.141 0.496 . . . . 0.0 110.406 -179.487 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 68' ' ' MET . . . . . 0.765 ' HE1' ' HA ' ' A' ' 68' ' ' MET . 0.1 OUTLIER -70.71 -46.18 63.56 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-N 115.857 -0.611 . . . . 0.0 110.593 -176.024 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 38.2 mt-10 -62.7 -41.23 99.02 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 115.836 -0.62 . . . . 0.0 110.215 179.537 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 70' ' ' ARG . . . . . 0.536 ' HB2' ' HB1' ' A' ' 67' ' ' ALA . 90.0 mtt180 -72.83 -33.47 66.19 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 115.867 -0.606 . . . . 0.0 111.17 -177.496 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -63.58 -45.75 89.01 Favored 'General case' 0 C--O 1.233 0.226 0 CA-C-O 121.17 0.51 . . . . 0.0 110.111 175.173 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 72' ' ' ASN . . . . . 0.436 ' O ' ' HG3' ' A' ' 76' ' ' ARG . 31.9 m-80 -68.22 -33.43 74.39 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 115.656 -0.702 . . . . 0.0 110.367 176.935 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 3.3 tppp? -68.75 -33.67 74.3 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.159 -0.473 . . . . 0.0 109.995 179.317 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -61.6 -54.54 41.63 Favored 'General case' 0 N--CA 1.452 -0.342 0 N-CA-C 109.537 -0.542 . . . . 0.0 109.537 174.296 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 40.3 ttt180 -53.41 -43.81 68.24 Favored 'General case' 0 CA--C 1.532 0.255 0 CA-C-N 116.055 -0.52 . . . . 0.0 110.8 176.214 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 76' ' ' ARG . . . . . 0.436 ' HG3' ' O ' ' A' ' 72' ' ' ASN . 89.8 mtt-85 -56.07 -57.87 10.32 Favored 'General case' 0 CA--C 1.521 -0.167 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.376 178.268 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 77' ' ' ARG . . . . . 0.702 HH21 ' HD2' ' A' ' 34' ' ' PHE . 20.9 mtm180 -70.48 -33.3 71.09 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 116.286 -0.415 . . . . 0.0 111.373 -173.527 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 78' ' ' CYS . . . . . . . . . . . . . 90.0 m -61.42 -50.15 74.0 Favored 'General case' 0 C--N 1.326 -0.449 0 N-CA-C 110.022 -0.362 . . . . 0.0 110.022 174.903 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . -61.71 -33.77 86.27 Favored Glycine 0 C--N 1.332 0.35 0 C-N-CA 121.015 -0.612 . . . . 0.0 111.853 176.606 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 40.0 tp10 -63.17 -41.54 99.25 Favored 'General case' 0 C--N 1.324 -0.512 0 C-N-CA 122.755 0.422 . . . . 0.0 110.768 175.647 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 81' ' ' VAL . . . . . 0.515 HG23 ' O ' ' A' ' 77' ' ' ARG . 93.4 t -70.67 -39.84 76.29 Favored 'Isoleucine or valine' 0 CA--C 1.53 0.202 0 CA-C-N 116.538 -0.301 . . . . 0.0 110.423 176.456 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 82' ' ' PHE . . . . . 0.403 ' O ' HG13 ' A' ' 86' ' ' ILE . 37.6 m-85 -56.23 -44.13 79.3 Favored 'General case' 0 N--CA 1.462 0.13 0 CA-C-O 120.973 0.416 . . . . 0.0 110.229 174.384 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 83' ' ' ARG . . . . . 0.462 ' O ' HG22 ' A' ' 87' ' ' VAL . 9.6 tpt180 -59.78 -44.24 93.99 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 115.839 -0.619 . . . . 0.0 110.394 177.299 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 84' ' ' TYR . . . . . . . . . . . . . 12.9 t80 -62.19 -38.33 88.71 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 115.675 -0.693 . . . . 0.0 110.368 -178.622 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 85' ' ' ALA . . . . . 0.467 ' HA ' HG22 ' A' ' 88' ' ' THR . . . -67.85 -32.52 73.11 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.016 -0.538 . . . . 0.0 111.478 179.476 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 86' ' ' ILE . . . . . 0.403 HG13 ' O ' ' A' ' 82' ' ' PHE . 76.2 mt -71.77 -35.38 55.02 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.411 0 CA-C-O 120.998 0.428 . . . . 0.0 110.367 177.575 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 87' ' ' VAL . . . . . 0.462 HG22 ' O ' ' A' ' 83' ' ' ARG . 93.0 t -70.78 -40.5 76.83 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.38 0 CA-C-N 115.963 -0.562 . . . . 0.0 111.15 179.683 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 88' ' ' THR . . . . . 0.467 HG22 ' HA ' ' A' ' 85' ' ' ALA . 12.8 t -79.14 -7.77 58.46 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-N 116.502 -0.317 . . . . 0.0 110.924 -179.45 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . 78.7 40.8 16.92 Favored Glycine 0 N--CA 1.452 -0.286 0 C-N-CA 120.829 -0.7 . . . . 0.0 113.091 177.3 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 90' ' ' ARG . . . . . 0.435 HH11 ' HD2' ' A' ' 90' ' ' ARG . 57.8 mtt180 -103.37 -38.1 7.35 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-O 121.136 0.493 . . . . 0.0 110.322 176.028 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . -125.83 136.91 53.63 Favored 'General case' 0 C--N 1.323 -0.578 0 CA-C-N 115.76 -0.655 . . . . 0.0 110.173 -179.981 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 57.6 tttm -94.92 -35.67 11.92 Favored 'General case' 0 C--N 1.323 -0.582 0 N-CA-C 109.212 -0.662 . . . . 0.0 109.212 177.075 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 93' ' ' TYR . . . . . . . . . . . . . 80.2 t80 -125.21 136.73 53.86 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 115.226 -0.897 . . . . 0.0 110.064 178.315 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 94' ' ' ASN . . . . . . . . . . . . . 26.6 p-10 -118.9 137.2 24.77 Favored Pre-proline 0 C--N 1.32 -0.674 0 CA-C-N 115.818 -0.628 . . . . 0.0 110.034 177.873 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 95' ' ' PRO . . . . . . . . . . . . . 60.3 Cg_endo -75.6 32.73 0.38 Allowed 'Trans proline' 0 CA--C 1.532 0.383 0 C-N-CA 122.867 2.378 . . . . 0.0 113.089 -178.468 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 96' ' ' ALA . . . . . 0.538 ' N ' ' HD2' ' A' ' 97' ' ' PRO . . . -65.4 -46.25 70.1 Favored Pre-proline 0 CA--C 1.539 0.549 0 CA-C-N 116.381 -0.372 . . . . 0.0 111.511 178.014 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 97' ' ' PRO . . . . . 0.538 ' HD2' ' N ' ' A' ' 96' ' ' ALA . 20.5 Cg_endo -62.35 -33.5 79.91 Favored 'Trans proline' 0 C--N 1.356 0.952 0 C-N-CA 121.941 1.761 . . . . 0.0 112.092 173.093 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 98' ' ' ASP . . . . . 0.66 ' HB3' ' HB3' ' A' ' 52' ' ' PRO . 44.3 m-20 -66.56 -33.2 75.14 Favored 'General case' 0 C--N 1.332 -0.182 0 CA-C-N 116.076 -0.511 . . . . 0.0 110.398 179.688 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 99' ' ' LEU . . . . . 0.533 ' HB2' HD23 ' A' ' 55' ' ' LEU . 3.2 tm? -56.07 -46.41 78.99 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 115.774 -0.648 . . . . 0.0 109.849 175.041 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 100' ' ' ALA . . . . . . . . . . . . . . . -65.17 -40.75 94.71 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 115.902 -0.59 . . . . 0.0 110.657 -179.652 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 23.6 t70 -66.72 -40.35 88.37 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 116.052 -0.522 . . . . 0.0 110.858 -179.712 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -67.08 -41.78 85.78 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.972 179.036 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 103' ' ' MET . . . . . 0.504 ' HE1' HG21 ' A' ' 59' ' ' ILE . 51.3 ttm -65.09 -37.22 86.81 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-O 121.104 0.478 . . . . 0.0 110.35 178.748 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 104' ' ' LYS . . . . . 0.481 ' HE2' ' HB3' ' A' ' 104' ' ' LYS . 25.7 ttpt -69.9 -45.77 66.86 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-N 115.543 -0.753 . . . . 0.0 111.2 177.783 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 105' ' ' GLY . . . . . . . . . . . . . . . -76.39 -13.13 83.68 Favored Glycine 0 N--CA 1.451 -0.358 0 CA-C-N 115.679 -0.691 . . . . 0.0 112.891 -176.699 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 106' ' ' TYR . . . . . . . . . . . . . 88.0 t80 -64.61 -21.55 66.74 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.877 0.37 . . . . 0.0 110.933 -179.611 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 107' ' ' ARG . . . . . . . . . . . . . 50.4 mtm180 -71.65 -0.55 11.09 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-O 120.814 0.34 . . . . 0.0 111.468 178.975 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 108' ' ' LYS . . . . . . . . . . . . . 63.4 mttp -92.68 -8.27 44.44 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-O 120.947 0.403 . . . . 0.0 110.316 174.204 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 109' ' ' LYS . . . . . . . . . . . . . 88.0 tttt -100.96 -50.76 3.73 Favored 'General case' 0 C--N 1.329 -0.311 0 N-CA-C 109.137 -0.69 . . . . 0.0 109.137 172.865 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 110' ' ' ASN . . . . . . . . . . . . . 6.0 m-20 -83.62 88.79 7.05 Favored 'General case' 0 C--N 1.326 -0.428 0 N-CA-C 109.134 -0.691 . . . . 0.0 109.134 172.853 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 111' ' ' LEU . . . . . . . . . . . . . 74.9 mt -70.42 164.88 23.68 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-N 115.447 -0.797 . . . . 0.0 112.388 -172.35 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 112' ' ' GLU . . . . . . . . . . . . . 28.1 mt-10 -89.43 -173.15 3.88 Favored 'General case' 0 C--N 1.322 -0.593 0 CA-C-N 114.99 -1.004 . . . . 0.0 109.476 177.56 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 113' ' ' HIS . . . . . . . . . . . . . 80.1 m80 -104.85 -22.34 13.19 Favored 'General case' 0 C--N 1.322 -0.613 0 CA-C-O 121.643 0.735 . . . . 0.0 109.436 176.131 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 114' ' ' HIS . . . . . . . . . . . . . 22.8 m80 -141.02 147.22 38.33 Favored 'General case' 0 C--N 1.323 -0.552 0 CA-C-N 114.723 -1.126 . . . . 0.0 108.272 170.206 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 115' ' ' HIS . . . . . . . . . . . . . 14.1 m-70 -105.62 175.95 5.33 Favored 'General case' 0 C--N 1.318 -0.786 0 CA-C-O 121.441 0.639 . . . . 0.0 111.51 -176.012 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 116' ' ' HIS . . . . . . . . . . . . . 17.5 m-70 -96.62 -2.66 44.34 Favored 'General case' 0 C--N 1.322 -0.603 0 CA-C-N 115.226 -0.897 . . . . 0.0 109.718 -175.832 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 117' ' ' HIS . . . . . . . . . . . . . 56.5 m170 -121.67 169.72 10.44 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 115.513 -0.767 . . . . 0.0 109.678 178.102 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 118' ' ' HIS . . . . . . . . . . . . . 36.4 m-70 . . . . . 0 C--O 1.25 1.115 0 CA-C-O 118.733 -0.651 . . . . 0.0 110.199 177.774 . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 1' ' ' SER . . . . . 0.523 ' HB3' ' OD1' ' A' ' 3' ' ' ASN . 20.6 m . . . . . 0 N--CA 1.476 0.835 0 CA-C-O 120.812 0.339 . . . . 0.0 111.186 . . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 20.3 m -100.49 -35.69 9.46 Favored 'General case' 0 C--N 1.324 -0.511 0 N-CA-C 109.433 -0.58 . . . . 0.0 109.433 173.027 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 3' ' ' ASN . . . . . 0.523 ' OD1' ' HB3' ' A' ' 1' ' ' SER . 4.3 m-20 63.67 26.74 14.65 Favored 'General case' 0 N--CA 1.469 0.476 0 CA-C-N 115.458 -0.792 . . . . 0.0 111.584 174.674 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 4' ' ' ASN . . . . . . . . . . . . . 34.7 p30 -83.53 9.1 12.12 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-O 120.812 0.339 . . . . 0.0 111.162 -178.978 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -96.36 -4.19 42.41 Favored 'General case' 0 C--N 1.329 -0.29 0 N-CA-C 109.533 -0.543 . . . . 0.0 109.533 175.033 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 6' ' ' SER . . . . . 0.53 ' HA ' ' HA ' ' A' ' 46' ' ' GLU . 5.7 m -75.64 143.41 42.26 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 115.641 -0.709 . . . . 0.0 110.427 -179.187 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 7' ' ' PHE . . . . . . . . . . . . . 42.6 t80 -63.43 -43.2 98.14 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.601 -0.272 . . . . 0.0 110.612 -177.041 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 9.7 p -53.53 -47.67 69.75 Favored 'General case' 0 C--O 1.237 0.426 0 CA-C-O 120.851 0.358 . . . . 0.0 111.527 178.145 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -63.95 -49.55 72.11 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 115.913 -0.585 . . . . 0.0 111.456 -178.186 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 10' ' ' ILE . . . . . 0.488 HG23 ' HB2' ' A' ' 85' ' ' ALA . 69.2 mt -66.07 -40.25 86.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.764 -178.2 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 9.5 t80 -58.74 -48.66 80.41 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.139 177.483 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 20.6 tptm -61.84 -39.26 91.19 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 120.628 0.251 . . . . 0.0 110.704 -178.003 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 13' ' ' GLU . . . . . 0.528 ' HG2' ' CD2' ' A' ' 17' ' ' HIS . 28.2 tt0 -67.91 -50.05 58.42 Favored 'General case' 0 C--N 1.326 -0.416 0 N-CA-C 109.997 -0.371 . . . . 0.0 109.997 178.689 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 14' ' ' TRP . . . . . . . . . . . . . 51.3 t90 -51.84 -47.61 64.3 Favored 'General case' 0 C--O 1.235 0.312 0 CA-C-N 115.811 -0.631 . . . . 0.0 110.816 178.085 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 15' ' ' TYR . . . . . 0.498 ' O ' ' HB2' ' A' ' 19' ' ' LYS . 25.9 t80 -57.82 -49.22 77.37 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 115.817 -0.629 . . . . 0.0 111.23 178.943 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 61.9 mm-40 -66.17 -26.67 67.52 Favored 'General case' 0 C--N 1.328 -0.369 0 N-CA-C 112.034 0.383 . . . . 0.0 112.034 -176.329 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 17' ' ' HIS . . . . . 0.528 ' CD2' ' HG2' ' A' ' 13' ' ' GLU . 73.6 m-70 -75.25 -54.13 7.62 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-O 120.999 0.428 . . . . 0.0 110.455 175.813 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 35.0 tptt -73.66 -9.51 58.74 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 121.197 0.522 . . . . 0.0 110.206 -176.88 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 19' ' ' LYS . . . . . 0.498 ' HB2' ' O ' ' A' ' 15' ' ' TYR . 55.8 tttt -57.55 -28.57 63.64 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 115.151 -0.932 . . . . 0.0 110.677 177.42 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 95.6 mt-30 -77.51 -17.91 57.53 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 115.786 -0.643 . . . . 0.0 111.056 -178.224 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 65.9 t -89.7 -47.99 14.65 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.776 -177.869 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 22' ' ' TRP . . . . . . . . . . . . . 19.7 m0 -81.86 154.26 25.95 Favored 'General case' 0 C--N 1.321 -0.656 0 CA-C-N 116.059 -0.519 . . . . 0.0 110.268 -178.224 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 23.0 p -65.31 138.25 58.06 Favored 'General case' 0 C--N 1.323 -0.58 0 N-CA-C 109.377 -0.601 . . . . 0.0 109.377 174.43 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 10.7 p -54.07 -38.08 36.9 Favored 'Isoleucine or valine' 0 CA--C 1.529 0.164 0 N-CA-C 111.712 0.264 . . . . 0.0 111.712 -173.88 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -60.88 -48.58 85.53 Favored Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.583 -0.817 . . . . 0.0 112.125 -179.995 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 26' ' ' TYR . . . . . . . . . . . . . 55.6 t80 -72.79 -36.48 67.6 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-O 120.539 0.209 . . . . 0.0 110.622 179.569 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -59.1 -47.11 86.47 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.392 -0.367 . . . . 0.0 110.726 179.038 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 25.6 m -59.61 -44.6 93.36 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-O 120.879 0.371 . . . . 0.0 110.68 177.136 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 35.1 tt0 -66.19 -47.69 73.11 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.408 -178.179 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 9.8 tt -58.56 -44.26 89.65 Favored 'General case' 0 C--O 1.235 0.305 0 N-CA-C 110.032 -0.359 . . . . 0.0 110.032 179.1 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 31' ' ' ALA . . . . . 0.416 ' HB2' ' CE1' ' A' ' 15' ' ' TYR . . . -66.16 -48.06 71.99 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 115.733 -0.667 . . . . 0.0 111.083 179.935 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 49.7 tttm -64.95 -36.8 85.55 Favored 'General case' 0 C--N 1.324 -0.529 0 C-N-CA 120.984 -0.286 . . . . 0.0 110.873 -177.26 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 33' ' ' MET . . . . . . . . . . . . . 58.6 ttp -63.59 -44.0 95.31 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 121.321 0.582 . . . . 0.0 109.825 175.828 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 34' ' ' PHE . . . . . 0.425 ' CD2' HD13 ' A' ' 38' ' ' ILE . 10.7 t80 -62.41 -49.61 74.82 Favored 'General case' 0 C--O 1.221 -0.442 0 CA-C-N 115.403 -0.817 . . . . 0.0 109.606 177.957 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 35' ' ' ASP . . . . . 0.527 ' HA ' ' HB2' ' A' ' 39' ' ' LEU . 13.4 t70 -66.38 -53.09 39.96 Favored 'General case' 0 C--N 1.32 -0.712 0 CA-C-N 116.244 -0.435 . . . . 0.0 111.697 -176.756 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -60.94 -31.23 70.77 Favored 'General case' 0 C--N 1.325 -0.47 0 N-CA-C 112.799 0.666 . . . . 0.0 112.799 -174.715 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 13.6 m-20 -102.7 -43.25 5.64 Favored 'General case' 0 C--N 1.33 -0.272 0 N-CA-C 112.687 0.625 . . . . 0.0 112.687 -178.69 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 38' ' ' ILE . . . . . 0.544 HG12 HG11 ' A' ' 58' ' ' VAL . 18.0 mt -90.38 -34.05 6.31 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.428 0 N-CA-C 112.296 0.48 . . . . 0.0 112.296 -170.086 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 39' ' ' LEU . . . . . 0.527 ' HB2' ' HA ' ' A' ' 35' ' ' ASP . 0.4 OUTLIER -61.15 -46.71 95.98 Favored Pre-proline 0 CA--C 1.542 0.644 0 N-CA-C 111.77 0.285 . . . . 0.0 111.77 -175.547 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 40' ' ' PRO . . . . . 0.491 ' HD3' ' O ' ' A' ' 35' ' ' ASP . 21.0 Cg_exo -67.57 -5.05 13.22 Favored 'Trans proline' 0 C--N 1.356 0.937 0 C-N-CA 121.916 1.744 . . . . 0.0 113.011 177.782 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 41' ' ' ILE . . . . . 0.482 HG22 HG21 ' A' ' 42' ' ' ILE . 30.2 mm -100.04 -58.49 3.84 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.409 0 CA-C-O 120.546 0.213 . . . . 0.0 111.051 179.965 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 42' ' ' ILE . . . . . 0.498 ' HA ' HD11 ' A' ' 45' ' ' LEU . 11.3 pt -125.82 8.23 4.1 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.249 0 N-CA-C 112.377 0.51 . . . . 0.0 112.377 -175.874 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -61.34 -41.78 99.61 Favored Glycine 0 N--CA 1.452 -0.272 0 C-N-CA 120.617 -0.801 . . . . 0.0 112.453 -176.17 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -81.7 2.05 84.18 Favored Glycine 0 N--CA 1.446 -0.64 0 C-N-CA 121.02 -0.609 . . . . 0.0 112.943 -179.413 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 45' ' ' LEU . . . . . 0.498 HD11 ' HA ' ' A' ' 42' ' ' ILE . 75.6 mt -89.62 151.55 21.84 Favored 'General case' 0 N--CA 1.45 -0.452 0 CA-C-N 117.047 0.423 . . . . 0.0 110.045 -179.917 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 46' ' ' GLU . . . . . 0.602 ' O ' HG13 ' A' ' 50' ' ' ILE . 41.8 mt-10 -83.5 144.89 29.24 Favored 'General case' 0 C--N 1.32 -0.681 0 N-CA-C 109.166 -0.679 . . . . 0.0 109.166 177.084 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 47' ' ' ILE . . . . . 0.506 HD12 ' HA ' ' A' ' 82' ' ' PHE . 13.8 tt -64.86 -17.96 22.68 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.661 0 CA-C-O 121.209 0.528 . . . . 0.0 111.355 -172.609 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 96.4 mt-30 -100.18 5.04 44.75 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-N 115.902 -0.59 . . . . 0.0 110.672 178.608 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 19.1 t70 -137.03 6.28 2.85 Favored 'General case' 0 CA--C 1.534 0.352 0 CA-C-O 120.933 0.397 . . . . 0.0 111.734 -170.214 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 50' ' ' ILE . . . . . 0.602 HG13 ' O ' ' A' ' 46' ' ' GLU . 83.3 mt -66.65 129.31 31.01 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.358 0 CA-C-O 121.209 0.528 . . . . 0.0 111.576 -177.021 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 51' ' ' GLU . . . . . 0.432 ' HB3' ' HB2' ' A' ' 54' ' ' GLN . 2.5 tm-20 -74.91 126.37 88.38 Favored Pre-proline 0 C--N 1.326 -0.448 0 CA-C-N 115.148 -0.933 . . . . 0.0 109.938 -178.63 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 52' ' ' PRO . . . . . . . . . . . . . 74.7 Cg_exo -48.89 -46.78 23.64 Favored 'Trans proline' 0 C--N 1.348 0.517 0 C-N-CA 123.7 2.933 . . . . 0.0 114.173 -177.62 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 53' ' ' MET . . . . . . . . . . . . . 65.3 mtm -75.76 -19.74 58.79 Favored 'General case' 0 C--N 1.328 -0.341 0 C-N-CA 121.091 -0.244 . . . . 0.0 111.157 -176.855 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 54' ' ' GLN . . . . . 0.432 ' HB2' ' HB3' ' A' ' 51' ' ' GLU . 40.7 mt-30 -76.69 -36.3 57.34 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-O 120.874 0.368 . . . . 0.0 110.275 172.767 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 30.8 tp -67.87 -33.79 75.42 Favored 'General case' 0 C--N 1.324 -0.518 0 N-CA-C 109.234 -0.654 . . . . 0.0 109.234 174.341 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 56' ' ' LEU . . . . . 0.455 HD11 ' O ' ' A' ' 56' ' ' LEU . 2.0 tm? -73.66 -29.52 62.37 Favored 'General case' 0 CA--C 1.531 0.229 0 CA-C-N 115.762 -0.654 . . . . 0.0 109.759 175.491 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 33.2 tt0 -64.69 -29.05 70.04 Favored 'General case' 0 C--N 1.329 -0.298 0 N-CA-C 109.862 -0.422 . . . . 0.0 109.862 176.407 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 58' ' ' VAL . . . . . 0.544 HG11 HG12 ' A' ' 38' ' ' ILE . 69.2 t -67.77 -48.65 74.97 Favored 'Isoleucine or valine' 0 C--O 1.236 0.39 0 CA-C-O 121.57 0.7 . . . . 0.0 110.092 172.105 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 59' ' ' ILE . . . . . . . . . . . . . 48.1 mm -54.69 -48.77 71.8 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.683 0 CA-C-N 115.262 -0.881 . . . . 0.0 110.116 176.615 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 60' ' ' ARG . . . . . 0.575 ' HA ' ' HB2' ' A' ' 63' ' ' GLU . 37.0 mtt180 -78.47 -7.3 57.29 Favored 'General case' 0 C--N 1.331 -0.196 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.92 179.883 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 61' ' ' ARG . . . . . 0.517 ' HB3' ' O ' ' A' ' 58' ' ' VAL . 8.8 tpt180 -68.17 -36.13 79.13 Favored 'General case' 0 C--N 1.323 -0.561 0 N-CA-C 108.247 -1.019 . . . . 0.0 108.247 170.962 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 62' ' ' PHE . . . . . . . . . . . . . 90.9 m-85 -84.23 -31.39 25.04 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 115.432 -0.803 . . . . 0.0 111.392 174.831 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 63' ' ' GLU . . . . . 0.575 ' HB2' ' HA ' ' A' ' 60' ' ' ARG . 35.2 mt-10 -65.32 -25.22 67.52 Favored 'General case' 0 N--CA 1.467 0.386 0 C-N-CA 120.837 -0.345 . . . . 0.0 110.484 175.259 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 20.4 t70 -52.85 -42.74 65.5 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 115.719 -0.673 . . . . 0.0 110.843 174.881 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 82.6 mtm-85 -96.22 4.79 52.14 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-N 116.156 -0.474 . . . . 0.0 111.111 -177.848 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 79.77 18.57 72.59 Favored Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 121.036 -0.602 . . . . 0.0 112.779 175.973 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -91.04 86.48 6.25 Favored 'General case' 0 C--N 1.322 -0.603 0 O-C-N 122.689 -0.3 . . . . 0.0 110.64 -178.802 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 68' ' ' MET . . . . . 0.848 ' HE1' ' HA ' ' A' ' 68' ' ' MET . 13.8 mmt -63.63 -40.01 95.81 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.077 -0.51 . . . . 0.0 110.615 -179.669 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 37.0 tt0 -68.32 -44.66 74.88 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 115.741 -0.663 . . . . 0.0 110.471 -179.194 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 59.2 mtt-85 -74.2 -22.35 59.42 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.465 -0.334 . . . . 0.0 110.833 -178.286 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -66.02 -48.71 70.24 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-O 121.142 0.496 . . . . 0.0 109.794 173.351 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 72' ' ' ASN . . . . . . . . . . . . . 42.8 m-80 -70.71 -26.45 63.41 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 116.022 -0.535 . . . . 0.0 110.287 176.15 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 46.2 tptt -62.65 -40.51 97.25 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 115.99 -0.55 . . . . 0.0 109.579 174.371 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -61.61 -47.6 84.69 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 116.267 -0.424 . . . . 0.0 109.987 173.73 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 59.6 ttt180 -56.19 -54.59 43.36 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 115.16 -0.927 . . . . 0.0 111.624 -178.806 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 99.5 mtt180 -66.99 -40.22 87.34 Favored 'General case' 0 C--N 1.327 -0.373 0 N-CA-C 112.0 0.37 . . . . 0.0 112.0 -176.182 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 77' ' ' ARG . . . . . 0.443 ' O ' HG23 ' A' ' 81' ' ' VAL . 80.4 mtm180 -66.37 -39.46 89.13 Favored 'General case' 0 C--N 1.329 -0.287 0 C-N-CA 120.959 -0.296 . . . . 0.0 111.027 -179.428 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 78' ' ' CYS . . . . . . . . . . . . . 71.3 m -63.57 -43.55 96.68 Favored 'General case' 0 C--N 1.329 -0.302 0 N-CA-C 109.815 -0.439 . . . . 0.0 109.815 175.441 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . -59.4 -35.27 84.46 Favored Glycine 0 C--N 1.333 0.378 0 C-N-CA 121.137 -0.554 . . . . 0.0 112.182 175.463 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 25.7 tp10 -67.73 -43.82 79.05 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-O 120.631 0.253 . . . . 0.0 110.544 177.803 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 81' ' ' VAL . . . . . 0.443 HG23 ' O ' ' A' ' 77' ' ' ARG . 94.4 t -61.02 -42.82 94.55 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.226 0 N-CA-C 109.826 -0.435 . . . . 0.0 109.826 174.958 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 82' ' ' PHE . . . . . 0.524 ' HB3' ' HB3' ' A' ' 94' ' ' ASN . 19.6 m-85 -57.23 -51.28 70.0 Favored 'General case' 0 C--N 1.332 -0.152 0 CA-C-N 115.821 -0.627 . . . . 0.0 110.247 175.568 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 83' ' ' ARG . . . . . 0.523 ' O ' HG22 ' A' ' 87' ' ' VAL . 65.2 ttp85 -56.54 -50.52 71.64 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 115.92 -0.582 . . . . 0.0 110.651 -179.886 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 84' ' ' TYR . . . . . . . . . . . . . 66.7 t80 -55.02 -44.7 74.86 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 115.862 -0.608 . . . . 0.0 110.874 -179.622 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 85' ' ' ALA . . . . . 0.488 ' HB2' HG23 ' A' ' 10' ' ' ILE . . . -69.46 -36.33 76.48 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.06 -0.518 . . . . 0.0 111.594 -179.647 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 86' ' ' ILE . . . . . 0.481 HG13 ' O ' ' A' ' 82' ' ' PHE . 72.8 mt -63.67 -42.85 97.43 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 CA-C-O 120.715 0.293 . . . . 0.0 110.529 177.414 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 87' ' ' VAL . . . . . 0.523 HG22 ' O ' ' A' ' 83' ' ' ARG . 59.1 t -63.41 -40.0 87.4 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-N 116.443 -0.344 . . . . 0.0 111.395 -179.319 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 88' ' ' THR . . . . . 0.458 HG21 ' HG3' ' A' ' 90' ' ' ARG . 9.6 t -82.1 -10.29 59.25 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-O 120.992 0.425 . . . . 0.0 110.939 179.317 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . 84.76 24.22 46.67 Favored Glycine 0 N--CA 1.452 -0.271 0 C-N-CA 120.796 -0.716 . . . . 0.0 113.222 176.831 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 90' ' ' ARG . . . . . 0.458 ' HG3' HG21 ' A' ' 88' ' ' THR . 99.0 mtt180 -98.59 -7.51 28.01 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-O 121.434 0.635 . . . . 0.0 109.96 177.041 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . -134.32 138.96 45.33 Favored 'General case' 0 C--N 1.323 -0.576 0 CA-C-N 115.158 -0.928 . . . . 0.0 108.766 173.887 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 78.7 tttt -93.27 -45.66 7.74 Favored 'General case' 0 C--N 1.323 -0.55 0 CA-C-O 121.231 0.539 . . . . 0.0 109.774 -176.182 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 93' ' ' TYR . . . . . . . . . . . . . 27.3 p90 -147.23 149.75 33.52 Favored 'General case' 0 C--N 1.324 -0.52 0 N-CA-C 108.744 -0.836 . . . . 0.0 108.744 174.41 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 94' ' ' ASN . . . . . 0.524 ' HB3' ' HB3' ' A' ' 82' ' ' PHE . 27.9 p-10 -106.72 136.78 19.37 Favored Pre-proline 0 C--N 1.321 -0.67 0 CA-C-O 121.026 0.441 . . . . 0.0 111.154 -176.91 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 95' ' ' PRO . . . . . 0.474 ' HD3' ' HA ' ' A' ' 94' ' ' ASN . 3.1 Cg_exo -76.52 34.09 0.43 Allowed 'Trans proline' 0 CA--C 1.531 0.369 0 C-N-CA 123.554 2.836 . . . . 0.0 112.789 -178.588 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 96' ' ' ALA . . . . . 0.562 ' N ' ' HD2' ' A' ' 97' ' ' PRO . . . -67.27 -45.3 49.9 Favored Pre-proline 0 C--N 1.327 -0.371 0 CA-C-N 116.388 -0.369 . . . . 0.0 111.47 178.763 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 97' ' ' PRO . . . . . 0.562 ' HD2' ' N ' ' A' ' 96' ' ' ALA . 14.8 Cg_endo -58.96 -40.99 66.24 Favored 'Trans proline' 0 C--N 1.356 0.943 0 C-N-CA 121.791 1.66 . . . . 0.0 111.596 173.245 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 3.5 m-20 -60.76 -41.04 94.67 Favored 'General case' 0 C--N 1.332 -0.186 0 CA-C-N 115.694 -0.684 . . . . 0.0 110.564 177.771 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 99' ' ' LEU . . . . . . . . . . . . . 3.3 tm? -54.5 -48.32 72.02 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.556 179.172 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 100' ' ' ALA . . . . . . . . . . . . . . . -67.66 -42.04 82.81 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 116.025 -0.534 . . . . 0.0 111.275 -177.787 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 6.1 t70 -70.12 -38.52 75.59 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-O 121.066 0.46 . . . . 0.0 110.424 -177.604 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -66.13 -35.6 80.91 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 115.921 -0.581 . . . . 0.0 110.745 177.574 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 103' ' ' MET . . . . . . . . . . . . . 53.3 ttm -58.05 -43.47 86.91 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-O 121.098 0.475 . . . . 0.0 110.353 175.569 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 104' ' ' LYS . . . . . . . . . . . . . 88.3 mttt -66.28 -45.52 80.15 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 115.853 -0.612 . . . . 0.0 110.413 177.693 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 105' ' ' GLY . . . . . . . . . . . . . . . -64.35 -29.87 76.27 Favored Glycine 0 N--CA 1.451 -0.308 0 CA-C-N 115.679 -0.692 . . . . 0.0 112.352 -179.641 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 106' ' ' TYR . . . . . . . . . . . . . 3.5 t80 -68.43 -42.07 79.44 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-O 120.965 0.412 . . . . 0.0 110.221 179.423 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 107' ' ' ARG . . . . . 0.634 ' O ' ' HD3' ' A' ' 107' ' ' ARG . 0.0 OUTLIER -76.89 -15.98 59.53 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.067 -179.315 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 108' ' ' LYS . . . . . . . . . . . . . 62.0 tttp -68.74 -15.03 63.39 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 115.858 -0.61 . . . . 0.0 110.755 178.952 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 109' ' ' LYS . . . . . . . . . . . . . 48.3 tttm -123.76 121.36 35.26 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-N 116.036 -0.529 . . . . 0.0 110.248 -179.51 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 110' ' ' ASN . . . . . . . . . . . . . 62.7 t30 -90.5 137.39 32.39 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.531 -0.304 . . . . 0.0 110.844 -177.308 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 111' ' ' LEU . . . . . . . . . . . . . 96.5 mt -76.09 132.67 40.2 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.887 -179.108 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 112' ' ' GLU . . . . . . . . . . . . . 30.6 tt0 -83.8 144.99 28.93 Favored 'General case' 0 C--N 1.323 -0.552 0 CA-C-N 115.822 -0.626 . . . . 0.0 110.448 -179.8 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 113' ' ' HIS . . . . . . . . . . . . . 95.4 m-70 -102.35 157.72 16.7 Favored 'General case' 0 C--N 1.327 -0.399 0 N-CA-C 110.019 -0.363 . . . . 0.0 110.019 175.408 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 114' ' ' HIS . . . . . . . . . . . . . 27.5 m170 -68.54 -37.68 80.19 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.372 -177.434 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 115' ' ' HIS . . . . . . . . . . . . . 74.2 t60 -76.31 73.74 3.1 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 121.339 0.59 . . . . 0.0 109.808 177.984 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 116' ' ' HIS . . . . . . . . . . . . . 30.9 t60 -165.35 0.54 0.03 OUTLIER 'General case' 0 C--N 1.323 -0.561 0 CA-C-N 115.333 -0.849 . . . . 0.0 109.928 -177.552 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 117' ' ' HIS . . . . . . . . . . . . . 92.2 m-70 -110.26 27.44 9.62 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.049 -0.523 . . . . 0.0 110.201 -177.393 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 118' ' ' HIS . . . . . . . . . . . . . 34.2 t-80 . . . . . 0 C--O 1.246 0.89 0 CA-C-O 117.721 -1.133 . . . . 0.0 109.41 -174.924 . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 22.7 m . . . . . 0 N--CA 1.48 1.066 0 CA-C-O 120.692 0.282 . . . . 0.0 111.541 . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 25.0 m -79.84 112.41 17.1 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-O 120.685 0.279 . . . . 0.0 110.887 -176.787 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 3' ' ' ASN . . . . . . . . . . . . . 13.1 t-20 63.02 24.89 14.77 Favored 'General case' 0 N--CA 1.468 0.452 0 CA-C-N 115.544 -0.753 . . . . 0.0 110.713 179.403 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 4' ' ' ASN . . . . . . . . . . . . . 6.1 m-20 -69.83 165.28 21.85 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 116.048 -0.524 . . . . 0.0 110.363 177.25 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 12.5 m120 -89.37 6.76 39.12 Favored 'General case' 0 C--N 1.323 -0.564 0 CA-C-N 116.471 -0.331 . . . . 0.0 110.502 179.82 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 6' ' ' SER . . . . . 0.525 ' HA ' ' HA ' ' A' ' 46' ' ' GLU . 19.9 m -62.36 139.34 58.54 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.482 176.489 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 7' ' ' PHE . . . . . . . . . . . . . 35.9 t80 -59.64 -45.96 90.44 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.242 -175.047 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 27.0 t -61.65 -36.46 80.86 Favored 'General case' 0 C--N 1.33 -0.243 0 N-CA-C 111.394 0.146 . . . . 0.0 111.394 -178.56 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -63.61 -49.2 74.25 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 121.035 0.445 . . . . 0.0 110.642 179.082 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 62.7 mt -67.8 -37.72 78.99 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.417 0 CA-C-N 115.946 -0.57 . . . . 0.0 110.311 179.322 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 3.0 t80 -56.32 -43.37 78.92 Favored 'General case' 0 C--N 1.333 -0.136 0 CA-C-N 116.037 -0.529 . . . . 0.0 110.953 175.047 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 50.7 tptt -59.98 -47.75 84.54 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.559 -0.291 . . . . 0.0 110.583 -179.422 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 33.7 tt0 -66.49 -45.56 79.22 Favored 'General case' 0 CA--C 1.532 0.277 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.479 179.238 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 14' ' ' TRP . . . . . . . . . . . . . 61.2 t90 -57.77 -54.41 47.2 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 115.874 -0.603 . . . . 0.0 110.942 178.99 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 15' ' ' TYR . . . . . 0.618 ' CE1' ' HB2' ' A' ' 31' ' ' ALA . 23.2 t80 -57.32 -53.33 59.34 Favored 'General case' 0 C--O 1.224 -0.263 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.57 -177.675 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 41.1 tt0 -60.38 -32.13 71.01 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-O 120.901 0.381 . . . . 0.0 111.057 -175.023 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 17' ' ' HIS . . . . . . . . . . . . . 49.2 t60 -78.41 -43.28 27.8 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-N 116.335 -0.393 . . . . 0.0 110.796 179.317 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 12.6 tptm -77.31 -16.05 59.13 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-O 121.275 0.56 . . . . 0.0 110.276 -177.282 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 58.5 tttm -66.54 -17.74 64.98 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 115.607 -0.724 . . . . 0.0 110.556 175.841 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 96.0 mt-30 -75.4 -10.79 59.76 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 116.051 -0.522 . . . . 0.0 110.352 177.259 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 58.7 t -99.85 -40.7 8.72 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-N 115.984 -0.553 . . . . 0.0 110.73 179.655 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 22' ' ' TRP . . . . . . . . . . . . . 10.9 m0 -91.33 162.97 14.38 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 116.102 -0.499 . . . . 0.0 111.019 -178.135 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 16.2 m -77.45 153.94 33.06 Favored 'General case' 0 C--N 1.323 -0.547 0 N-CA-C 109.664 -0.495 . . . . 0.0 109.664 175.01 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 14.0 p -55.19 -38.7 48.1 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.328 0 N-CA-C 112.083 0.401 . . . . 0.0 112.083 -175.165 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -61.78 -61.2 7.0 Favored Glycine 0 C--N 1.332 0.309 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.249 -179.784 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 26' ' ' TYR . . . . . . . . . . . . . 89.1 t80 -59.05 -38.98 80.63 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-O 120.646 0.26 . . . . 0.0 110.928 179.274 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -61.97 -42.89 99.64 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.397 -0.365 . . . . 0.0 110.958 -179.507 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 90.7 m -63.25 -46.69 85.7 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-O 120.721 0.296 . . . . 0.0 111.288 179.96 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 54.0 mt-10 -67.06 -39.12 86.83 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.395 -0.366 . . . . 0.0 111.187 -178.567 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 10.5 tt -67.1 -42.44 84.56 Favored 'General case' 0 C--N 1.328 -0.36 0 N-CA-C 109.874 -0.417 . . . . 0.0 109.874 177.119 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 31' ' ' ALA . . . . . 0.618 ' HB2' ' CE1' ' A' ' 15' ' ' TYR . . . -60.68 -48.31 82.36 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 115.992 -0.549 . . . . 0.0 110.943 178.939 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 32' ' ' LYS . . . . . 0.568 ' HA ' ' HB3' ' A' ' 35' ' ' ASP . 54.3 tttp -73.22 -18.27 61.26 Favored 'General case' 0 N--CA 1.446 -0.636 0 C-N-CA 119.907 -0.717 . . . . 0.0 110.789 -177.381 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 33' ' ' MET . . . . . . . . . . . . . 62.3 ttp -62.82 -43.4 98.89 Favored 'General case' 0 C--N 1.326 -0.437 0 N-CA-C 108.738 -0.838 . . . . 0.0 108.738 172.521 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 34' ' ' PHE . . . . . 0.564 ' O ' ' HB ' ' A' ' 38' ' ' ILE . 29.1 m-85 -69.35 -38.27 78.03 Favored 'General case' 0 C--O 1.222 -0.36 0 CA-C-N 115.697 -0.683 . . . . 0.0 110.751 174.126 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 35' ' ' ASP . . . . . 0.568 ' HB3' ' HA ' ' A' ' 32' ' ' LYS . 17.1 t70 -59.93 -66.56 0.5 Allowed 'General case' 0 C--N 1.32 -0.677 0 CA-C-N 116.381 -0.372 . . . . 0.0 111.255 178.078 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 20.9 t70 -71.87 -28.66 63.68 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 115.779 -0.646 . . . . 0.0 112.521 -168.12 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 47.5 m-20 -107.74 -43.63 4.43 Favored 'General case' 0 C--N 1.329 -0.296 0 N-CA-C 112.307 0.484 . . . . 0.0 112.307 -176.636 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 38' ' ' ILE . . . . . 0.564 ' HB ' ' O ' ' A' ' 34' ' ' PHE . 1.8 mp -79.75 -43.3 22.97 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.375 0 N-CA-C 111.918 0.34 . . . . 0.0 111.918 -175.885 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 39' ' ' LEU . . . . . 0.553 ' N ' ' HD2' ' A' ' 40' ' ' PRO . 37.4 mt -65.99 -42.74 54.03 Favored Pre-proline 0 CA--C 1.535 0.392 0 N-CA-C 113.462 0.912 . . . . 0.0 113.462 -171.328 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 40' ' ' PRO . . . . . 0.553 ' HD2' ' N ' ' A' ' 39' ' ' LEU . 32.6 Cg_endo -63.91 -13.0 34.67 Favored 'Trans proline' 0 C--N 1.352 0.723 0 C-N-CA 121.807 1.671 . . . . 0.0 112.438 177.826 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 41' ' ' ILE . . . . . 0.513 HG23 HG22 ' A' ' 42' ' ' ILE . 33.0 mm -98.99 -67.75 0.92 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.386 0 CA-C-N 116.521 -0.309 . . . . 0.0 110.471 179.679 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 42' ' ' ILE . . . . . 0.513 HG22 HG23 ' A' ' 41' ' ' ILE . 17.3 pt -120.97 10.71 6.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 N-CA-C 112.027 0.38 . . . . 0.0 112.027 -174.382 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 43' ' ' GLY . . . . . 0.443 ' HA3' ' HA ' ' A' ' 39' ' ' LEU . . . -60.62 -36.33 91.31 Favored Glycine 0 N--CA 1.452 -0.26 0 C-N-CA 120.623 -0.799 . . . . 0.0 112.626 -176.256 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -97.87 20.14 51.81 Favored Glycine 0 N--CA 1.445 -0.765 0 C-N-CA 120.802 -0.713 . . . . 0.0 112.618 -178.916 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 45' ' ' LEU . . . . . 0.442 HD11 HG23 ' A' ' 42' ' ' ILE . 84.3 mt -107.1 158.59 16.96 Favored 'General case' 0 N--CA 1.454 -0.274 0 N-CA-C 110.102 -0.333 . . . . 0.0 110.102 177.777 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 46' ' ' GLU . . . . . 0.525 ' HA ' ' HA ' ' A' ' 6' ' ' SER . 47.9 mt-10 -80.52 140.49 35.83 Favored 'General case' 0 C--N 1.323 -0.549 0 N-CA-C 109.904 -0.406 . . . . 0.0 109.904 177.301 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 15.0 tt -63.85 -20.92 27.56 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.633 0 CA-C-N 116.087 -0.506 . . . . 0.0 111.267 -175.614 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 98.1 mt-30 -89.16 -12.9 39.68 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.024 -0.534 . . . . 0.0 110.869 177.556 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 27.3 t70 -130.73 51.25 2.14 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-O 121.507 0.67 . . . . 0.0 111.045 -169.834 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 50' ' ' ILE . . . . . 0.505 HG13 ' O ' ' A' ' 46' ' ' GLU . 81.2 mt -108.7 129.18 63.66 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.701 0 CA-C-N 115.789 -0.641 . . . . 0.0 109.933 176.539 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 43.2 mt-10 -74.05 143.43 80.67 Favored Pre-proline 0 C--N 1.326 -0.456 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.058 179.663 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 52' ' ' PRO . . . . . . . . . . . . . 53.0 Cg_exo -55.68 -34.64 91.19 Favored 'Trans proline' 0 N--CA 1.462 -0.349 0 C-N-CA 122.53 2.153 . . . . 0.0 111.346 176.588 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 53' ' ' MET . . . . . . . . . . . . . 65.5 mtt -65.72 -33.04 74.95 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 115.819 -0.628 . . . . 0.0 111.08 179.231 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 82.6 mt-30 -79.74 -43.7 22.1 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.388 -0.369 . . . . 0.0 111.308 -177.493 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 55' ' ' LEU . . . . . 0.406 HD23 ' HB2' ' A' ' 99' ' ' LEU . 32.9 tp -64.06 -36.52 84.28 Favored 'General case' 0 C--N 1.323 -0.578 0 CA-C-O 121.532 0.682 . . . . 0.0 109.193 176.141 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 56' ' ' LEU . . . . . 0.715 HD12 ' HE ' ' A' ' 60' ' ' ARG . 2.3 tm? -71.77 -28.76 63.85 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-N 115.389 -0.823 . . . . 0.0 110.046 176.751 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 32.4 tt0 -70.52 -33.25 70.97 Favored 'General case' 0 C--O 1.222 -0.349 0 N-CA-C 109.892 -0.41 . . . . 0.0 109.892 177.481 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 58' ' ' VAL . . . . . 0.664 ' O ' ' HB3' ' A' ' 61' ' ' ARG . 53.1 t -58.9 -50.79 78.28 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 CA-C-O 121.561 0.696 . . . . 0.0 110.061 172.793 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 59' ' ' ILE . . . . . 0.541 HG21 ' HB1' ' A' ' 71' ' ' ALA . 1.6 mp -61.08 -40.68 86.53 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.693 0 CA-C-N 115.473 -0.785 . . . . 0.0 110.713 177.784 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 60' ' ' ARG . . . . . 0.715 ' HE ' HD12 ' A' ' 56' ' ' LEU . 0.0 OUTLIER -74.14 -17.71 60.89 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-O 120.813 0.339 . . . . 0.0 111.142 178.138 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 61' ' ' ARG . . . . . 0.664 ' HB3' ' O ' ' A' ' 58' ' ' VAL . 17.2 tpt180 -64.42 -41.0 96.84 Favored 'General case' 0 C--N 1.326 -0.455 0 N-CA-C 109.435 -0.58 . . . . 0.0 109.435 173.812 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 62' ' ' PHE . . . . . 0.416 ' HB3' ' HB2' ' A' ' 67' ' ' ALA . 97.0 m-85 -71.91 -31.45 66.39 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-N 115.686 -0.688 . . . . 0.0 110.489 173.562 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 63' ' ' GLU . . . . . 0.519 ' OE1' ' HD2' ' A' ' 60' ' ' ARG . 36.0 tt0 -65.19 -31.07 72.06 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 115.861 -0.609 . . . . 0.0 111.035 179.918 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 30.5 m-20 -55.96 -27.99 55.02 Favored 'General case' 0 N--CA 1.467 0.383 0 CA-C-N 116.572 -0.286 . . . . 0.0 111.157 176.328 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 66.3 mtm-85 -105.46 9.28 33.64 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-O 120.843 0.354 . . . . 0.0 110.815 -179.569 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 71.3 25.53 75.28 Favored Glycine 0 N--CA 1.45 -0.367 0 C-N-CA 121.15 -0.548 . . . . 0.0 112.753 179.276 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 67' ' ' ALA . . . . . 0.416 ' HB2' ' HB3' ' A' ' 62' ' ' PHE . . . -91.22 98.26 11.62 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-O 120.88 0.371 . . . . 0.0 110.999 -178.551 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 68' ' ' MET . . . . . 0.836 ' HE1' ' HA ' ' A' ' 68' ' ' MET . 11.2 mmt -80.04 -54.5 5.73 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 116.066 -0.515 . . . . 0.0 111.334 -176.412 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 69' ' ' GLU . . . . . 0.404 ' O ' ' HB2' ' A' ' 73' ' ' LYS . 1.7 mp0 -63.84 -35.95 82.32 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.563 -0.29 . . . . 0.0 110.508 179.507 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 3.9 ttt85 -70.0 -29.8 66.96 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 116.458 -0.337 . . . . 0.0 110.632 -178.828 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 71' ' ' ALA . . . . . 0.541 ' HB1' HG21 ' A' ' 59' ' ' ILE . . . -66.99 -46.12 75.53 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-O 121.187 0.518 . . . . 0.0 110.004 176.488 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 72' ' ' ASN . . . . . . . . . . . . . 49.1 m-80 -75.64 -19.93 58.85 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 115.891 -0.595 . . . . 0.0 110.378 178.067 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 73' ' ' LYS . . . . . 0.404 ' HB2' ' O ' ' A' ' 69' ' ' GLU . 24.1 tttp -66.01 -52.85 45.57 Favored 'General case' 0 C--N 1.326 -0.415 0 N-CA-C 108.932 -0.766 . . . . 0.0 108.932 173.967 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -58.39 -48.34 80.96 Favored 'General case' 0 C--O 1.223 -0.308 0 CA-C-N 115.616 -0.72 . . . . 0.0 109.798 174.959 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 75' ' ' ARG . . . . . 0.521 ' HD2' ' HE2' ' A' ' 103' ' ' MET . 76.4 ttt180 -47.95 -49.77 29.28 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-N 115.304 -0.862 . . . . 0.0 111.893 178.112 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 38.4 ttp180 -81.69 -30.49 32.59 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-N 116.501 -0.318 . . . . 0.0 111.408 -174.14 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 77' ' ' ARG . . . . . 0.403 ' O ' HG23 ' A' ' 81' ' ' VAL . 35.7 mmt180 -76.25 -38.14 56.69 Favored 'General case' 0 C--N 1.327 -0.379 0 C-N-CA 121.072 -0.251 . . . . 0.0 110.984 178.84 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 78' ' ' CYS . . . . . . . . . . . . . 98.4 m -64.05 -42.88 96.88 Favored 'General case' 0 C--N 1.331 -0.239 0 N-CA-C 109.667 -0.494 . . . . 0.0 109.667 174.211 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . -55.36 -35.58 61.22 Favored Glycine 0 C--N 1.336 0.562 0 C-N-CA 121.009 -0.615 . . . . 0.0 111.909 173.919 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 40.7 tt0 -66.14 -41.75 90.03 Favored 'General case' 0 C--N 1.329 -0.284 0 N-CA-C 110.31 -0.255 . . . . 0.0 110.31 176.621 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 81' ' ' VAL . . . . . 0.403 HG23 ' O ' ' A' ' 77' ' ' ARG . 60.2 t -62.71 -42.92 97.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.306 -0.406 . . . . 0.0 110.653 177.112 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 82' ' ' PHE . . . . . 0.483 ' O ' HG13 ' A' ' 86' ' ' ILE . 59.5 m-85 -58.88 -46.79 86.99 Favored 'General case' 0 C--N 1.332 -0.193 0 CA-C-O 120.996 0.427 . . . . 0.0 110.295 175.111 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 83' ' ' ARG . . . . . 0.446 ' HA ' HD12 ' A' ' 86' ' ' ILE . 74.7 ttt180 -63.68 -39.28 93.93 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 115.704 -0.68 . . . . 0.0 110.4 179.526 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 84' ' ' TYR . . . . . . . . . . . . . 68.1 t80 -58.21 -43.01 87.46 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 115.715 -0.675 . . . . 0.0 109.906 176.654 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -65.89 -34.15 77.47 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 116.079 -0.509 . . . . 0.0 111.048 179.139 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 86' ' ' ILE . . . . . 0.548 ' HA ' ' O ' ' A' ' 91' ' ' ALA . 79.6 mt -64.74 -41.49 92.35 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 CA-C-O 121.213 0.53 . . . . 0.0 110.381 177.128 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 87' ' ' VAL . . . . . 0.426 HG23 ' O ' ' A' ' 83' ' ' ARG . 47.7 t -74.04 -32.04 31.88 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.387 0 CA-C-N 115.95 -0.568 . . . . 0.0 110.973 -179.87 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 88' ' ' THR . . . . . . . . . . . . . 19.8 p -87.93 2.64 51.1 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-O 120.773 0.321 . . . . 0.0 111.499 -178.797 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . 66.96 37.97 92.5 Favored Glycine 0 N--CA 1.453 -0.203 0 C-N-CA 121.017 -0.611 . . . . 0.0 112.676 178.007 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 70.3 mtt180 -112.41 -15.75 13.05 Favored 'General case' 0 C--N 1.321 -0.645 0 CA-C-O 120.865 0.364 . . . . 0.0 110.471 178.147 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 91' ' ' ALA . . . . . 0.548 ' O ' ' HA ' ' A' ' 86' ' ' ILE . . . -155.74 169.27 24.75 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 115.841 -0.618 . . . . 0.0 110.04 -179.393 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 80.1 tttt -136.23 -64.84 0.59 Allowed 'General case' 0 C--N 1.322 -0.61 0 CA-C-N 116.301 -0.409 . . . . 0.0 110.112 176.873 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 93' ' ' TYR . . . . . . . . . . . . . 88.0 t80 -89.93 133.28 34.87 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.134 178.718 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 94' ' ' ASN . . . . . 0.445 ' HA ' ' HD3' ' A' ' 95' ' ' PRO . 26.5 p30 -114.41 148.75 40.89 Favored Pre-proline 0 C--N 1.319 -0.729 0 CA-C-N 115.75 -0.659 . . . . 0.0 110.248 178.822 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 95' ' ' PRO . . . . . 0.445 ' HD3' ' HA ' ' A' ' 94' ' ' ASN . 2.6 Cg_exo -77.78 28.53 0.45 Allowed 'Trans proline' 0 N--CA 1.464 -0.258 0 C-N-CA 123.061 2.507 . . . . 0.0 112.254 177.223 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 96' ' ' ALA . . . . . 0.505 ' N ' ' HD2' ' A' ' 97' ' ' PRO . . . -69.85 -47.9 22.76 Favored Pre-proline 0 CA--C 1.536 0.436 0 N-CA-C 111.626 0.232 . . . . 0.0 111.626 -179.353 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 97' ' ' PRO . . . . . 0.505 ' HD2' ' N ' ' A' ' 96' ' ' ALA . 19.2 Cg_endo -60.72 -32.83 93.5 Favored 'Trans proline' 0 C--N 1.357 1.023 0 C-N-CA 121.721 1.614 . . . . 0.0 111.537 173.816 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 23.9 m-20 -72.02 -36.47 69.71 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 115.753 -0.658 . . . . 0.0 110.225 177.697 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 99' ' ' LEU . . . . . 0.406 ' HB2' HD23 ' A' ' 55' ' ' LEU . 3.1 tm? -58.91 -44.68 91.29 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 115.802 -0.636 . . . . 0.0 109.993 176.601 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 100' ' ' ALA . . . . . . . . . . . . . . . -63.99 -41.15 97.6 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.727 179.803 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 32.1 t70 -68.44 -41.52 80.18 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.659 179.425 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 102' ' ' ALA . . . . . 0.5 ' O ' ' HB2' ' A' ' 106' ' ' TYR . . . -70.81 -17.95 62.75 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-O 121.032 0.444 . . . . 0.0 111.1 179.424 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 103' ' ' MET . . . . . 0.521 ' HE2' ' HD2' ' A' ' 75' ' ' ARG . 50.8 ttm -80.59 -50.38 10.06 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-O 120.926 0.393 . . . . 0.0 110.586 177.061 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 104' ' ' LYS . . . . . . . . . . . . . 62.6 tttm -82.54 -36.25 26.5 Favored 'General case' 0 C--N 1.321 -0.663 0 CA-C-N 116.07 -0.514 . . . . 0.0 111.478 -176.31 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 105' ' ' GLY . . . . . . . . . . . . . . . -74.53 -13.7 81.66 Favored Glycine 0 C--O 1.228 -0.237 0 C-N-CA 121.195 -0.526 . . . . 0.0 112.276 -179.111 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 106' ' ' TYR . . . . . 0.5 ' HB2' ' O ' ' A' ' 102' ' ' ALA . 62.4 t80 -78.69 -12.37 60.02 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-O 120.859 0.362 . . . . 0.0 110.176 178.298 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 107' ' ' ARG . . . . . . . . . . . . . 33.2 ttt180 -69.08 -11.93 61.23 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.992 -176.931 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 108' ' ' LYS . . . . . . . . . . . . . 63.2 mttm -58.59 -32.59 69.12 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.094 -0.503 . . . . 0.0 109.737 173.156 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 109' ' ' LYS . . . . . . . . . . . . . 62.1 tttm 58.8 82.18 0.15 Allowed 'General case' 0 C--O 1.233 0.199 0 CA-C-N 115.014 -0.994 . . . . 0.0 110.481 -178.166 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 110' ' ' ASN . . . . . . . . . . . . . 92.6 m-20 -62.07 143.78 56.16 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 115.232 -0.895 . . . . 0.0 110.808 -176.858 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 111' ' ' LEU . . . . . . . . . . . . . 87.4 mt -71.47 -43.15 67.15 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-N 115.828 -0.624 . . . . 0.0 111.481 -173.857 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 112' ' ' GLU . . . . . . . . . . . . . 34.4 tt0 -93.33 120.68 33.89 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-O 121.259 0.552 . . . . 0.0 111.162 -176.844 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 113' ' ' HIS . . . . . . . . . . . . . 24.5 t-80 -92.32 121.08 33.48 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-N 115.526 -0.761 . . . . 0.0 109.696 178.143 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 114' ' ' HIS . . . . . . . . . . . . . 37.2 m80 -96.74 179.08 5.1 Favored 'General case' 0 C--N 1.321 -0.633 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.551 -179.182 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 115' ' ' HIS . . . . . . . . . . . . . 21.5 p-80 -107.61 -6.0 17.17 Favored 'General case' 0 C--N 1.328 -0.369 0 C-N-CA 120.746 -0.382 . . . . 0.0 111.5 -176.231 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 116' ' ' HIS . . . . . . . . . . . . . 17.7 t60 -64.08 -43.24 96.02 Favored 'General case' 0 CA--C 1.52 -0.192 0 N-CA-C 108.414 -0.958 . . . . 0.0 108.414 171.745 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 117' ' ' HIS . . . . . . . . . . . . . 46.1 t-80 -116.15 106.52 13.81 Favored 'General case' 0 C--N 1.322 -0.608 0 CA-C-N 115.18 -0.918 . . . . 0.0 108.567 169.782 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 118' ' ' HIS . . . . . . . . . . . . . 1.5 p-80 . . . . . 0 C--O 1.251 1.174 0 CA-C-O 118.267 -0.873 . . . . 0.0 111.068 -178.227 . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 49.2 m . . . . . 0 N--CA 1.475 0.822 0 CA-C-O 120.867 0.365 . . . . 0.0 110.577 . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 1.6 p -170.52 166.68 8.28 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-N 115.894 -0.594 . . . . 0.0 110.181 -176.297 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 3' ' ' ASN . . . . . . . . . . . . . 28.7 p-10 -80.07 15.12 1.59 Allowed 'General case' 0 N--CA 1.464 0.259 0 CA-C-O 120.866 0.365 . . . . 0.0 111.804 -174.69 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 4' ' ' ASN . . . . . . . . . . . . . 30.3 p-10 -91.24 3.74 54.07 Favored 'General case' 0 C--N 1.323 -0.553 0 CA-C-O 120.949 0.404 . . . . 0.0 110.324 179.088 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 11.7 m120 -84.13 -11.52 56.48 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.4 177.761 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 20.2 m -62.53 141.45 58.43 Favored 'General case' 0 C--O 1.239 0.525 0 CA-C-N 116.028 -0.533 . . . . 0.0 110.087 176.608 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 7' ' ' PHE . . . . . 0.587 ' HE1' ' HZ ' ' A' ' 34' ' ' PHE . 18.7 t80 -56.57 -44.79 81.33 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.113 -175.014 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 49.2 m -57.39 -35.0 69.46 Favored 'General case' 0 CA--C 1.532 0.273 0 N-CA-C 112.11 0.411 . . . . 0.0 112.11 -179.46 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -67.46 -54.88 16.43 Favored 'General case' 0 C--O 1.237 0.399 0 CA-C-O 121.124 0.488 . . . . 0.0 110.654 -178.488 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 59.2 mt -66.25 -31.88 55.59 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-N 115.7 -0.682 . . . . 0.0 110.27 179.762 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 7.3 t80 -56.22 -48.01 77.31 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 115.843 -0.617 . . . . 0.0 111.157 175.806 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 82.9 tttt -63.54 -41.42 98.46 Favored 'General case' 0 C--N 1.329 -0.295 0 C-N-CA 120.718 -0.393 . . . . 0.0 110.496 -179.113 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 39.7 tt0 -63.08 -49.36 74.82 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.131 178.625 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 14' ' ' TRP . . . . . . . . . . . . . 62.5 t90 -57.56 -48.16 80.08 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 115.811 -0.631 . . . . 0.0 110.563 176.847 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 15' ' ' TYR . . . . . 0.539 ' CE1' ' HB2' ' A' ' 31' ' ' ALA . 22.4 t80 -55.69 -52.45 63.82 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 115.922 -0.581 . . . . 0.0 111.222 178.618 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 1.2 tp10 -61.71 -34.63 76.14 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-O 120.975 0.417 . . . . 0.0 110.65 -176.122 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 17' ' ' HIS . . . . . . . . . . . . . 1.6 m80 -71.02 -47.77 56.78 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 115.954 -0.566 . . . . 0.0 110.72 179.324 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 13.8 mmmm -75.49 -14.09 60.41 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.453 -0.34 . . . . 0.0 111.107 -178.21 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 36.7 ttpt -67.35 -17.7 64.86 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 121.438 0.637 . . . . 0.0 110.35 177.776 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 97.3 mt-30 -88.43 -10.24 49.86 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 115.817 -0.628 . . . . 0.0 110.346 177.093 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 46.5 t -100.29 -41.06 8.8 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.393 0 CA-C-N 115.855 -0.612 . . . . 0.0 110.738 -177.985 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 22' ' ' TRP . . . . . . . . . . . . . 12.4 m0 -92.5 165.42 13.03 Favored 'General case' 0 C--N 1.323 -0.565 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.488 179.775 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 15.1 p -68.4 136.58 53.54 Favored 'General case' 0 C--N 1.322 -0.599 0 N-CA-C 109.406 -0.59 . . . . 0.0 109.406 173.621 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 71.8 t -55.71 -38.68 51.82 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.413 0 N-CA-C 111.913 0.338 . . . . 0.0 111.913 -176.171 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -58.78 -50.08 71.06 Favored Glycine 0 N--CA 1.452 -0.256 0 C-N-CA 120.633 -0.794 . . . . 0.0 111.736 177.633 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 26' ' ' TYR . . . . . . . . . . . . . 48.7 t80 -70.19 -39.18 75.36 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-O 120.516 0.198 . . . . 0.0 110.822 179.413 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -60.96 -39.93 91.44 Favored 'General case' 0 C--N 1.332 -0.174 0 CA-C-O 120.829 0.347 . . . . 0.0 111.041 -178.9 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 50.1 m -67.57 -44.85 77.19 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 116.337 -0.392 . . . . 0.0 111.044 179.998 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 41.5 mt-10 -65.42 -44.41 87.48 Favored 'General case' 0 C--N 1.331 -0.196 0 CA-C-O 120.612 0.244 . . . . 0.0 110.732 177.778 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 9.7 tt -57.61 -40.87 80.09 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.309 177.736 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 31' ' ' ALA . . . . . 0.539 ' HB2' ' CE1' ' A' ' 15' ' ' TYR . . . -66.22 -55.63 15.26 Favored 'General case' 0 C--O 1.221 -0.44 0 CA-C-N 115.846 -0.615 . . . . 0.0 111.438 -179.787 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 32' ' ' LYS . . . . . 0.521 ' HA ' ' HB2' ' A' ' 35' ' ' ASP . 45.8 tttm -64.41 -28.25 69.55 Favored 'General case' 0 C--N 1.328 -0.331 0 C-N-CA 120.611 -0.436 . . . . 0.0 110.865 -175.741 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 33' ' ' MET . . . . . . . . . . . . . 8.2 tmm? -67.88 -45.53 74.22 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 121.086 0.469 . . . . 0.0 109.791 174.638 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 34' ' ' PHE . . . . . 0.587 ' HZ ' ' HE1' ' A' ' 7' ' ' PHE . 8.3 t80 -61.11 -44.11 97.85 Favored 'General case' 0 C--N 1.329 -0.315 0 N-CA-C 109.11 -0.7 . . . . 0.0 109.11 175.127 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 35' ' ' ASP . . . . . 0.521 ' HB2' ' HA ' ' A' ' 32' ' ' LYS . 0.3 OUTLIER -50.94 -66.81 0.32 Allowed 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 114.92 -1.036 . . . . 0.0 112.294 178.5 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 37.8 t70 -73.06 -25.85 61.06 Favored 'General case' 0 C--N 1.325 -0.471 0 N-CA-C 112.853 0.686 . . . . 0.0 112.853 -168.123 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 22.8 m-20 -99.86 -38.55 8.59 Favored 'General case' 0 C--N 1.322 -0.597 0 N-CA-C 112.398 0.518 . . . . 0.0 112.398 -176.176 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 38' ' ' ILE . . . . . 0.56 HD13 ' CD2' ' A' ' 34' ' ' PHE . 16.2 mt -97.26 -39.12 8.51 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.514 0 N-CA-C 112.35 0.5 . . . . 0.0 112.35 -171.407 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 39' ' ' LEU . . . . . 0.546 ' N ' ' HD2' ' A' ' 40' ' ' PRO . 40.2 mt -63.36 -41.09 65.57 Favored Pre-proline 0 CA--C 1.539 0.535 0 N-CA-C 113.288 0.848 . . . . 0.0 113.288 -175.105 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 40' ' ' PRO . . . . . 0.546 ' HD2' ' N ' ' A' ' 39' ' ' LEU . 34.2 Cg_endo -65.14 -9.42 21.73 Favored 'Trans proline' 0 C--N 1.355 0.902 0 C-N-CA 121.632 1.555 . . . . 0.0 112.581 176.868 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 41.7 mm -100.25 -60.75 2.63 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.421 0 CA-C-N 116.417 -0.356 . . . . 0.0 111.22 -178.276 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 42' ' ' ILE . . . . . 0.465 ' HA ' HD11 ' A' ' 45' ' ' LEU . 11.6 pt -120.69 7.68 6.24 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 N-CA-C 112.21 0.448 . . . . 0.0 112.21 -176.388 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -62.8 -33.18 86.21 Favored Glycine 0 N--CA 1.452 -0.27 0 C-N-CA 120.627 -0.797 . . . . 0.0 112.569 -176.316 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -93.41 8.93 74.83 Favored Glycine 0 N--CA 1.448 -0.537 0 C-N-CA 120.839 -0.696 . . . . 0.0 112.472 -178.962 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 45' ' ' LEU . . . . . 0.467 HD12 ' HG2' ' A' ' 54' ' ' GLN . 68.7 mt -96.84 139.77 32.39 Favored 'General case' 0 N--CA 1.451 -0.399 0 N-CA-C 109.966 -0.383 . . . . 0.0 109.966 178.53 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 46' ' ' GLU . . . . . 0.432 ' O ' HG13 ' A' ' 50' ' ' ILE . 4.4 mp0 -67.3 133.56 49.91 Favored 'General case' 0 C--N 1.323 -0.585 0 N-CA-C 109.219 -0.659 . . . . 0.0 109.219 174.504 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 47' ' ' ILE . . . . . 0.426 HD13 ' CB ' ' A' ' 85' ' ' ALA . 19.3 tt -58.96 -23.19 23.41 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.612 0 N-CA-C 112.309 0.485 . . . . 0.0 112.309 -171.965 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 63.5 tt0 -91.27 -17.45 25.96 Favored 'General case' 0 C--N 1.323 -0.565 0 CA-C-O 121.124 0.488 . . . . 0.0 111.068 -178.248 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 9.9 m-20 -130.93 76.6 1.73 Allowed 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 116.079 -0.509 . . . . 0.0 110.377 -177.806 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 50' ' ' ILE . . . . . 0.432 HG13 ' O ' ' A' ' 46' ' ' GLU . 59.4 mt -117.14 136.59 53.82 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.555 0 CA-C-N 115.995 -0.548 . . . . 0.0 110.926 -178.75 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 51' ' ' GLU . . . . . 0.435 ' HA ' ' HD2' ' A' ' 52' ' ' PRO . 10.6 tp10 -66.2 118.27 51.23 Favored Pre-proline 0 C--N 1.325 -0.467 0 CA-C-N 115.357 -0.838 . . . . 0.0 110.297 176.613 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 52' ' ' PRO . . . . . 0.435 ' HD2' ' HA ' ' A' ' 51' ' ' GLU . 9.5 Cg_endo -53.54 -41.12 75.98 Favored 'Trans proline' 0 C--N 1.346 0.421 0 C-N-CA 123.41 2.74 . . . . 0.0 113.156 -178.791 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 53' ' ' MET . . . . . . . . . . . . . 52.3 mtm -75.62 -15.29 60.36 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-O 121.043 0.449 . . . . 0.0 110.619 -179.267 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 54' ' ' GLN . . . . . 0.467 ' HG2' HD12 ' A' ' 45' ' ' LEU . 41.0 tp60 -80.47 -37.25 32.21 Favored 'General case' 0 C--N 1.326 -0.445 0 N-CA-C 108.98 -0.748 . . . . 0.0 108.98 178.828 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 55' ' ' LEU . . . . . 0.433 ' O ' ' HB ' ' A' ' 58' ' ' VAL . 26.1 tp -65.83 -35.57 81.06 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 115.549 -0.75 . . . . 0.0 109.485 175.577 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 2.9 tm? -67.2 -31.67 72.22 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 115.765 -0.652 . . . . 0.0 109.636 175.144 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 22.2 tt0 -65.82 -27.37 68.2 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.16 177.496 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 58' ' ' VAL . . . . . 0.538 ' O ' ' HB3' ' A' ' 61' ' ' ARG . 54.8 t -65.44 -52.51 50.65 Favored 'Isoleucine or valine' 0 C--O 1.236 0.374 0 CA-C-O 121.268 0.556 . . . . 0.0 110.304 171.21 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 59' ' ' ILE . . . . . 0.495 HG22 ' HE3' ' A' ' 103' ' ' MET . 1.8 mp -56.15 -41.51 69.66 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.419 0 CA-C-N 115.885 -0.598 . . . . 0.0 110.093 176.934 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 6.1 ttt180 -76.77 -20.39 56.5 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.91 -178.472 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 61' ' ' ARG . . . . . 0.538 ' HB3' ' O ' ' A' ' 58' ' ' VAL . 0.3 OUTLIER -58.25 -43.79 88.0 Favored 'General case' 0 C--N 1.33 -0.274 0 N-CA-C 109.116 -0.698 . . . . 0.0 109.116 172.457 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 62' ' ' PHE . . . . . . . . . . . . . 96.7 m-85 -77.61 -19.0 56.24 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-N 115.369 -0.832 . . . . 0.0 111.492 177.596 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 37.7 tt0 -69.59 -39.16 77.44 Favored 'General case' 0 C--N 1.327 -0.389 0 N-CA-C 109.735 -0.469 . . . . 0.0 109.735 176.939 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 45.4 m-20 -57.73 -34.32 69.39 Favored 'General case' 0 N--CA 1.467 0.387 0 CA-C-O 121.177 0.513 . . . . 0.0 110.278 174.01 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 58.0 mtp85 -86.17 -1.0 57.02 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 115.655 -0.702 . . . . 0.0 111.08 -176.5 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 64.49 40.76 97.95 Favored Glycine 0 N--CA 1.447 -0.572 0 C-N-CA 121.072 -0.585 . . . . 0.0 112.078 -178.904 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -127.83 89.27 2.91 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-O 120.801 0.334 . . . . 0.0 110.953 179.687 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 68' ' ' MET . . . . . 0.888 ' HE2' ' HA ' ' A' ' 68' ' ' MET . 14.0 mmt -73.4 -33.92 65.24 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-O 121.083 0.468 . . . . 0.0 109.939 178.942 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 34.0 mt-10 -60.2 -50.63 72.91 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 115.528 -0.76 . . . . 0.0 110.182 177.034 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 81.3 mtt180 -68.81 -26.5 65.22 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 115.883 -0.599 . . . . 0.0 110.604 -179.579 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -69.18 -41.48 77.11 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 121.102 0.477 . . . . 0.0 110.204 176.258 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 72' ' ' ASN . . . . . . . . . . . . . 83.3 m-20 -64.0 -42.83 97.04 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 115.858 -0.61 . . . . 0.0 110.154 175.063 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 1.6 mptm? -64.33 -33.42 75.8 Favored 'General case' 0 C--N 1.332 -0.167 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.717 176.354 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -60.54 -53.64 55.02 Favored 'General case' 0 C--N 1.331 -0.235 0 N-CA-C 110.287 -0.264 . . . . 0.0 110.287 175.293 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 75' ' ' ARG . . . . . 0.41 HH21 ' HE1' ' A' ' 103' ' ' MET . 26.2 ttm105 -54.4 -47.41 72.78 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 115.915 -0.584 . . . . 0.0 110.78 177.005 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 18.2 ttt180 -59.21 -53.48 57.75 Favored 'General case' 0 C--N 1.332 -0.188 0 CA-C-N 115.885 -0.598 . . . . 0.0 111.414 -179.05 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 77' ' ' ARG . . . . . 0.526 ' O ' HG22 ' A' ' 81' ' ' VAL . 87.3 mtm180 -59.01 -39.47 81.97 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.396 -0.366 . . . . 0.0 111.324 -177.18 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 78' ' ' CYS . . . . . . . . . . . . . 83.8 m -60.33 -48.96 79.52 Favored 'General case' 0 C--N 1.328 -0.368 0 N-CA-C 109.672 -0.492 . . . . 0.0 109.672 175.748 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . -58.71 -37.49 89.86 Favored Glycine 0 C--N 1.334 0.469 0 C-N-CA 121.247 -0.502 . . . . 0.0 112.458 177.14 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 43.0 mt-10 -61.25 -50.37 73.32 Favored 'General case' 0 C--N 1.333 -0.138 0 CA-C-N 116.699 0.249 . . . . 0.0 110.492 175.869 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 81' ' ' VAL . . . . . 0.526 HG22 ' O ' ' A' ' 77' ' ' ARG . 47.4 t -61.28 -43.32 96.31 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.253 0 CA-C-N 116.292 -0.413 . . . . 0.0 110.422 178.959 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 82' ' ' PHE . . . . . 0.625 ' HB3' ' HB3' ' A' ' 94' ' ' ASN . 19.3 m-85 -55.8 -52.79 62.76 Favored 'General case' 0 N--CA 1.462 0.152 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.788 176.542 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 83' ' ' ARG . . . . . 0.471 ' O ' HG22 ' A' ' 87' ' ' VAL . 23.4 ttm-85 -62.6 -41.34 98.92 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.669 -178.453 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 84' ' ' TYR . . . . . 0.449 ' O ' HG22 ' A' ' 88' ' ' THR . 71.2 t80 -57.37 -43.82 83.9 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.016 -0.538 . . . . 0.0 110.238 177.557 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 85' ' ' ALA . . . . . 0.426 ' CB ' HD13 ' A' ' 47' ' ' ILE . . . -69.31 -33.47 73.22 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 115.905 -0.589 . . . . 0.0 111.269 179.25 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 86' ' ' ILE . . . . . 0.577 ' HA ' ' O ' ' A' ' 91' ' ' ALA . 75.8 mt -62.43 -45.19 99.38 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.388 0 CA-C-O 120.773 0.321 . . . . 0.0 110.523 177.505 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 87' ' ' VAL . . . . . 0.471 HG22 ' O ' ' A' ' 83' ' ' ARG . 47.9 t -64.18 -41.32 92.07 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.35 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.335 -178.728 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 88' ' ' THR . . . . . 0.495 HG21 ' HG3' ' A' ' 90' ' ' ARG . 7.8 t -81.09 -9.55 59.8 Favored 'General case' 0 CA--C 1.538 0.484 0 CA-C-O 120.927 0.394 . . . . 0.0 111.303 -178.988 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . 87.12 24.71 36.37 Favored Glycine 0 CA--C 1.52 0.352 0 C-N-CA 120.656 -0.783 . . . . 0.0 113.446 175.424 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 90' ' ' ARG . . . . . 0.495 ' HG3' HG21 ' A' ' 88' ' ' THR . 50.8 mtt180 -102.85 -5.79 23.21 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-O 121.422 0.63 . . . . 0.0 109.845 177.637 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 91' ' ' ALA . . . . . 0.577 ' O ' ' HA ' ' A' ' 86' ' ' ILE . . . -150.25 164.01 36.8 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-N 115.151 -0.931 . . . . 0.0 108.768 175.431 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 66.7 mttm -136.17 -45.62 0.63 Allowed 'General case' 0 C--N 1.326 -0.447 0 CA-C-O 120.751 0.31 . . . . 0.0 110.923 -178.25 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 93' ' ' TYR . . . . . . . . . . . . . 81.4 t80 -117.7 127.76 54.24 Favored 'General case' 0 C--N 1.323 -0.562 0 N-CA-C 110.019 -0.363 . . . . 0.0 110.019 175.329 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 94' ' ' ASN . . . . . 0.625 ' HB3' ' HB3' ' A' ' 82' ' ' PHE . 0.3 OUTLIER -100.5 134.49 20.62 Favored Pre-proline 0 C--N 1.326 -0.438 0 CA-C-N 116.464 -0.334 . . . . 0.0 111.082 178.801 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 95' ' ' PRO . . . . . 0.491 ' HD3' ' HA ' ' A' ' 94' ' ' ASN . 6.9 Cg_exo -74.92 36.63 0.44 Allowed 'Trans proline' 0 CA--C 1.532 0.39 0 C-N-CA 123.448 2.765 . . . . 0.0 112.914 -179.333 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 96' ' ' ALA . . . . . 0.475 ' N ' ' HD2' ' A' ' 97' ' ' PRO . . . -68.77 -49.63 27.08 Favored Pre-proline 0 C--N 1.325 -0.464 0 CA-C-N 116.509 -0.314 . . . . 0.0 111.417 179.152 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 97' ' ' PRO . . . . . 0.475 ' HD2' ' N ' ' A' ' 96' ' ' ALA . 33.8 Cg_endo -66.1 -29.7 47.82 Favored 'Trans proline' 0 C--N 1.356 0.939 0 C-N-CA 121.724 1.616 . . . . 0.0 111.686 174.522 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 4.5 m-20 -67.19 -39.91 86.46 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 115.868 -0.605 . . . . 0.0 109.89 177.382 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 99' ' ' LEU . . . . . 0.4 ' HB2' HD21 ' A' ' 55' ' ' LEU . 3.2 tm? -54.5 -46.11 73.41 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 115.641 -0.709 . . . . 0.0 109.858 174.862 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 100' ' ' ALA . . . . . . . . . . . . . . . -65.09 -43.33 92.47 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 115.863 -0.608 . . . . 0.0 111.421 -178.937 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 101' ' ' ASP . . . . . 0.511 ' HA ' ' HD2' ' A' ' 104' ' ' LYS . 20.3 t70 -71.06 -37.25 72.51 Favored 'General case' 0 C--O 1.234 0.26 0 CA-C-O 120.881 0.372 . . . . 0.0 110.665 -177.985 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 102' ' ' ALA . . . . . 0.47 ' O ' ' HB2' ' A' ' 106' ' ' TYR . . . -64.39 -41.98 96.38 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 115.97 -0.559 . . . . 0.0 110.298 176.72 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 103' ' ' MET . . . . . 0.495 ' HE3' HG22 ' A' ' 59' ' ' ILE . 59.3 ttm -59.25 -37.46 77.64 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.006 -0.543 . . . . 0.0 110.444 176.891 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 104' ' ' LYS . . . . . 0.511 ' HD2' ' HA ' ' A' ' 101' ' ' ASP . 61.3 mttm -66.41 -56.59 10.29 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 115.959 -0.564 . . . . 0.0 111.07 177.338 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 105' ' ' GLY . . . . . . . . . . . . . . . -63.6 -31.56 81.19 Favored Glycine 0 CA--C 1.517 0.184 0 CA-C-N 115.59 -0.732 . . . . 0.0 112.775 -176.558 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 106' ' ' TYR . . . . . 0.47 ' HB2' ' O ' ' A' ' 102' ' ' ALA . 3.2 t80 -64.06 -31.02 72.06 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-O 120.971 0.415 . . . . 0.0 110.376 179.936 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 107' ' ' ARG . . . . . 0.4 ' HG3' ' O ' ' A' ' 103' ' ' MET . 87.4 mtt-85 -93.85 -0.22 55.88 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.036 -0.529 . . . . 0.0 111.218 -176.66 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 108' ' ' LYS . . . . . . . . . . . . . 67.5 mttm -84.99 -17.9 36.14 Favored 'General case' 0 C--N 1.327 -0.405 0 N-CA-C 109.064 -0.717 . . . . 0.0 109.064 171.785 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 109' ' ' LYS . . . . . . . . . . . . . 86.9 tttt 54.97 70.49 0.62 Allowed 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 114.205 -1.361 . . . . 0.0 111.984 179.047 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 110' ' ' ASN . . . . . 0.447 ' OD1' ' HB2' ' A' ' 117' ' ' HIS . 90.0 m-20 -96.74 -57.64 2.24 Favored 'General case' 0 C--N 1.322 -0.597 0 N-CA-C 108.255 -1.017 . . . . 0.0 108.255 167.791 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 111' ' ' LEU . . . . . . . . . . . . . 54.5 tp 69.79 -68.91 0.18 Allowed 'General case' 0 N--CA 1.466 0.375 0 CA-C-N 115.069 -0.969 . . . . 0.0 111.562 175.066 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 112' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -108.35 150.84 26.8 Favored 'General case' 0 C--N 1.32 -0.715 0 N-CA-C 108.654 -0.869 . . . . 0.0 108.654 -177.64 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 113' ' ' HIS . . . . . . . . . . . . . 70.2 m80 -77.96 -17.4 57.23 Favored 'General case' 0 C--N 1.322 -0.611 0 N-CA-C 111.594 0.22 . . . . 0.0 111.594 -170.295 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 114' ' ' HIS . . . . . . . . . . . . . 55.1 m80 -73.55 -18.27 61.1 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-O 121.128 0.489 . . . . 0.0 110.096 171.657 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 115' ' ' HIS . . . . . . . . . . . . . 57.2 t60 -106.98 70.2 0.79 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 115.862 -0.608 . . . . 0.0 110.127 -179.728 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 116' ' ' HIS . . . . . . . . . . . . . 82.3 t60 -84.91 113.54 21.46 Favored 'General case' 0 C--N 1.32 -0.702 0 N-CA-C 108.568 -0.901 . . . . 0.0 108.568 175.347 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 117' ' ' HIS . . . . . 0.447 ' HB2' ' OD1' ' A' ' 110' ' ' ASN . 4.9 t60 -43.72 -56.49 3.76 Favored 'General case' 0 N--CA 1.469 0.524 0 O-C-N 124.085 0.866 . . . . 0.0 112.101 -172.206 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 118' ' ' HIS . . . . . . . . . . . . . 54.5 t-80 . . . . . 0 C--O 1.243 0.762 0 CA-C-O 118.258 -0.877 . . . . 0.0 109.614 177.329 . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 44.7 m . . . . . 0 N--CA 1.476 0.87 0 N-CA-C 110.191 -0.3 . . . . 0.0 110.191 . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 25.1 m -101.63 158.15 16.3 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-N 116.443 -0.344 . . . . 0.0 110.679 -177.637 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 3' ' ' ASN . . . . . . . . . . . . . 53.2 t-20 -103.03 145.75 29.41 Favored 'General case' 0 C--N 1.324 -0.515 0 N-CA-C 108.459 -0.941 . . . . 0.0 108.459 174.609 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 4' ' ' ASN . . . . . . . . . . . . . 85.4 m-20 -60.97 -19.72 61.41 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-O 121.131 0.491 . . . . 0.0 110.527 177.248 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 5.0 m-20 -110.76 22.39 15.43 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 115.931 -0.577 . . . . 0.0 111.415 -178.675 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 6' ' ' SER . . . . . 0.534 ' HA ' ' HA ' ' A' ' 46' ' ' GLU . 69.5 m -71.24 156.55 39.41 Favored 'General case' 0 C--N 1.33 -0.282 0 N-CA-C 109.899 -0.408 . . . . 0.0 109.899 173.408 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 7' ' ' PHE . . . . . . . . . . . . . 26.9 t80 -59.12 -50.3 74.58 Favored 'General case' 0 C--N 1.329 -0.303 0 N-CA-C 111.766 0.284 . . . . 0.0 111.766 -172.777 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 69.1 m -55.07 -40.1 69.97 Favored 'General case' 0 N--CA 1.467 0.385 0 N-CA-C 111.894 0.331 . . . . 0.0 111.894 -179.508 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -65.82 -50.53 64.29 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.989 0.423 . . . . 0.0 111.004 -177.881 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 10' ' ' ILE . . . . . 0.488 HG12 ' HD3' ' A' ' 90' ' ' ARG . 55.9 mt -70.21 -38.04 73.37 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 CA-C-N 115.896 -0.593 . . . . 0.0 110.655 -179.153 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 11' ' ' TYR . . . . . 0.557 ' OH ' ' HA ' ' A' ' 31' ' ' ALA . 51.6 t80 -56.83 -43.29 80.9 Favored 'General case' 0 C--O 1.223 -0.33 0 CA-C-N 116.058 -0.519 . . . . 0.0 110.393 175.262 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 81.9 tttt -70.15 -36.57 74.83 Favored 'General case' 0 C--N 1.325 -0.478 0 C-N-CA 120.979 -0.288 . . . . 0.0 110.787 -177.75 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 41.6 tt0 -64.12 -42.87 96.68 Favored 'General case' 0 C--O 1.234 0.266 0 N-CA-C 109.508 -0.553 . . . . 0.0 109.508 176.04 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 14' ' ' TRP . . . . . . . . . . . . . 58.4 t90 -64.96 -49.39 70.49 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 115.601 -0.727 . . . . 0.0 110.711 175.727 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 15' ' ' TYR . . . . . . . . . . . . . 6.8 t80 -55.81 -48.36 75.56 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 115.985 -0.552 . . . . 0.0 111.268 178.514 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 28.9 tt0 -65.26 -33.45 76.03 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-O 121.009 0.433 . . . . 0.0 110.602 -177.116 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 17' ' ' HIS . . . . . . . . . . . . . 35.7 t60 -74.42 -40.4 62.02 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 115.747 -0.661 . . . . 0.0 110.435 178.727 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 29.5 mmtm -72.02 -28.51 63.43 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.15 177.922 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 37.0 ttpt -67.3 -15.27 63.59 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-O 121.109 0.48 . . . . 0.0 110.532 176.903 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 95.8 mt-30 -78.52 -8.68 58.82 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.098 -0.501 . . . . 0.0 109.923 175.783 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 79.3 t -113.8 -41.98 3.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 115.839 -0.619 . . . . 0.0 110.686 179.479 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 22' ' ' TRP . . . . . . . . . . . . . 30.7 m0 -78.59 168.45 19.75 Favored 'General case' 0 C--N 1.324 -0.524 0 CA-C-N 116.007 -0.542 . . . . 0.0 111.275 -179.23 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 40.2 m -77.08 151.44 35.47 Favored 'General case' 0 C--N 1.323 -0.565 0 N-CA-C 109.091 -0.707 . . . . 0.0 109.091 171.669 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 14.6 p -60.21 -37.35 73.17 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.423 0 CA-C-O 120.545 0.212 . . . . 0.0 111.188 -175.839 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -66.76 -44.72 88.69 Favored Glycine 0 N--CA 1.447 -0.599 0 C-N-CA 120.919 -0.658 . . . . 0.0 111.785 179.354 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 26' ' ' TYR . . . . . . . . . . . . . 88.6 t80 -67.17 -41.7 85.52 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-O 120.635 0.255 . . . . 0.0 110.509 179.623 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -64.52 -43.9 92.56 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 116.289 -0.414 . . . . 0.0 110.799 -179.313 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 51.7 m -66.66 -45.82 77.68 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.836 179.243 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 15.0 tp10 -63.05 -35.62 80.85 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-O 120.962 0.411 . . . . 0.0 110.534 -179.185 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 9.8 tt -68.01 -51.37 47.84 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-N 115.99 -0.55 . . . . 0.0 110.272 177.64 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 31' ' ' ALA . . . . . 0.557 ' HA ' ' OH ' ' A' ' 11' ' ' TYR . . . -63.22 -33.82 76.32 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.553 -179.571 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 87.0 tttt -62.38 -51.85 65.95 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-N 115.865 -0.607 . . . . 0.0 110.358 175.017 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 33' ' ' MET . . . . . . . . . . . . . 56.1 ttp -56.15 -50.3 71.51 Favored 'General case' 0 C--O 1.235 0.329 0 CA-C-N 115.716 -0.675 . . . . 0.0 110.727 177.658 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 34' ' ' PHE . . . . . 0.491 ' O ' ' HB ' ' A' ' 38' ' ' ILE . 4.1 t80 -60.17 -45.92 91.46 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-N 115.103 -0.953 . . . . 0.0 110.378 -179.108 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 35' ' ' ASP . . . . . 0.544 ' HA ' ' HB2' ' A' ' 39' ' ' LEU . 20.1 t70 -64.42 -50.36 67.89 Favored 'General case' 0 C--N 1.321 -0.634 0 CA-C-N 116.356 -0.384 . . . . 0.0 111.777 -177.59 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 8.3 m-20 -62.73 -38.96 92.54 Favored 'General case' 0 C--N 1.325 -0.462 0 N-CA-C 113.092 0.775 . . . . 0.0 113.092 -174.073 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 2.3 m-20 -106.99 -18.51 13.89 Favored 'General case' 0 C--N 1.328 -0.365 0 N-CA-C 113.24 0.83 . . . . 0.0 113.24 -173.029 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 38' ' ' ILE . . . . . 0.534 HG12 HG11 ' A' ' 58' ' ' VAL . 13.2 mt -110.37 -37.5 3.12 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.436 0 O-C-N 122.117 -0.364 . . . . 0.0 111.927 -174.363 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 39' ' ' LEU . . . . . 0.544 ' HB2' ' HA ' ' A' ' 35' ' ' ASP . 0.2 OUTLIER -59.47 -47.76 97.21 Favored Pre-proline 0 CA--C 1.539 0.537 0 N-CA-C 112.417 0.525 . . . . 0.0 112.417 -174.038 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 40' ' ' PRO . . . . . 0.5 ' HD2' ' N ' ' A' ' 39' ' ' LEU . 32.8 Cg_endo -64.58 -8.3 16.91 Favored 'Trans proline' 0 C--N 1.354 0.867 0 C-N-CA 121.982 1.788 . . . . 0.0 113.222 179.181 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 41' ' ' ILE . . . . . 0.412 HG22 HG23 ' A' ' 42' ' ' ILE . 49.0 mt -101.62 -55.04 6.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.693 -0.231 . . . . 0.0 111.594 -177.096 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 42' ' ' ILE . . . . . 0.412 HG23 HG22 ' A' ' 41' ' ' ILE . 9.1 pt -127.68 3.23 3.4 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.256 0 N-CA-C 112.459 0.54 . . . . 0.0 112.459 -177.458 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 43' ' ' GLY . . . . . 0.503 ' HA3' HD11 ' A' ' 39' ' ' LEU . . . -59.8 -41.53 97.66 Favored Glycine 0 N--CA 1.452 -0.293 0 C-N-CA 120.536 -0.84 . . . . 0.0 112.433 -176.103 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -85.12 7.85 73.36 Favored Glycine 0 N--CA 1.446 -0.642 0 C-N-CA 120.824 -0.703 . . . . 0.0 113.081 -179.391 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 91.6 mt -93.38 169.07 10.64 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 117.36 0.58 . . . . 0.0 110.312 179.652 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 46' ' ' GLU . . . . . 0.534 ' HA ' ' HA ' ' A' ' 6' ' ' SER . 46.5 mt-10 -91.86 142.35 27.67 Favored 'General case' 0 C--N 1.321 -0.637 0 N-CA-C 109.287 -0.635 . . . . 0.0 109.287 177.562 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 47' ' ' ILE . . . . . 0.435 HD12 ' HB2' ' A' ' 85' ' ' ALA . 12.4 tt -69.24 -14.98 19.11 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.554 0 CA-C-O 121.219 0.533 . . . . 0.0 110.755 -176.259 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 69.0 mt-30 -92.67 -8.8 43.0 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 115.888 -0.596 . . . . 0.0 109.97 177.68 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 37.8 t70 -138.51 78.85 1.7 Allowed 'General case' 0 C--N 1.326 -0.429 0 CA-C-O 121.204 0.526 . . . . 0.0 110.808 -173.908 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 50' ' ' ILE . . . . . . . . . . . . . 42.7 mt -131.53 118.14 38.18 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 CA-C-N 115.741 -0.663 . . . . 0.0 110.035 176.135 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 51' ' ' GLU . . . . . 0.459 ' HG3' ' HB2' ' A' ' 54' ' ' GLN . 5.4 pt-20 -75.2 140.36 73.03 Favored Pre-proline 0 C--N 1.315 -0.9 0 CA-C-N 115.357 -0.838 . . . . 0.0 110.39 -179.851 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 52' ' ' PRO . . . . . 0.798 ' HB3' ' HB3' ' A' ' 98' ' ' ASP . 10.1 Cg_endo -52.4 -40.27 71.51 Favored 'Trans proline' 0 C--N 1.344 0.317 0 C-N-CA 123.217 2.611 . . . . 0.0 113.048 -176.202 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 53' ' ' MET . . . . . . . . . . . . . 84.4 mmm -63.98 -32.19 73.64 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.723 0.297 . . . . 0.0 111.314 -179.522 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 54' ' ' GLN . . . . . 0.459 ' HB2' ' HG3' ' A' ' 51' ' ' GLU . 38.3 tp60 -77.54 -39.2 46.78 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-O 121.4 0.619 . . . . 0.0 109.671 -178.248 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 55' ' ' LEU . . . . . 0.643 HD22 ' HB2' ' A' ' 99' ' ' LEU . 25.6 tp -69.03 -38.41 79.15 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 115.711 -0.677 . . . . 0.0 110.056 178.61 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 56' ' ' LEU . . . . . 0.468 HD22 ' HB ' ' A' ' 59' ' ' ILE . 2.2 tm? -70.86 -28.19 64.39 Favored 'General case' 0 C--N 1.328 -0.328 0 N-CA-C 109.785 -0.45 . . . . 0.0 109.785 175.814 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 9.0 tp10 -58.83 -39.26 80.68 Favored 'General case' 0 C--N 1.327 -0.388 0 N-CA-C 109.433 -0.58 . . . . 0.0 109.433 176.553 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 58' ' ' VAL . . . . . 0.63 ' O ' ' HB3' ' A' ' 61' ' ' ARG . 56.1 t -60.11 -55.3 25.06 Favored 'Isoleucine or valine' 0 C--O 1.236 0.383 0 CA-C-O 121.487 0.661 . . . . 0.0 111.127 172.986 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 59' ' ' ILE . . . . . 0.468 ' HB ' HD22 ' A' ' 56' ' ' LEU . 50.8 mm -58.03 -48.07 85.18 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.557 0 CA-C-N 115.438 -0.801 . . . . 0.0 110.901 -177.971 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 60' ' ' ARG . . . . . 0.445 HH11 ' HD2' ' A' ' 60' ' ' ARG . 22.9 ttp85 -68.11 -29.04 67.87 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 115.501 -0.772 . . . . 0.0 110.547 -178.573 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 61' ' ' ARG . . . . . 0.63 ' HB3' ' O ' ' A' ' 58' ' ' VAL . 7.4 tpt180 -53.38 -45.48 69.28 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.164 -0.471 . . . . 0.0 109.885 173.921 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 62' ' ' PHE . . . . . . . . . . . . . 80.2 m-85 -68.97 -32.97 72.93 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 116.26 -0.427 . . . . 0.0 111.412 176.825 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 44.0 mt-10 -68.86 -39.16 80.02 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.695 -0.229 . . . . 0.0 110.951 178.823 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 2.0 m-20 -59.47 -31.17 69.09 Favored 'General case' 0 N--CA 1.464 0.254 0 CA-C-O 120.96 0.41 . . . . 0.0 110.504 174.08 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 65' ' ' ARG . . . . . 0.616 ' HG2' ' O ' ' A' ' 61' ' ' ARG . 36.4 mmm-85 -75.86 -25.51 56.25 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 115.735 -0.666 . . . . 0.0 110.366 178.29 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 90.87 8.3 65.3 Favored Glycine 0 N--CA 1.447 -0.604 0 N-CA-C 111.011 -0.836 . . . . 0.0 111.011 -174.53 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -90.19 82.97 5.98 Favored 'General case' 0 N--CA 1.448 -0.531 0 CA-C-O 120.978 0.418 . . . . 0.0 110.28 -179.261 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 68' ' ' MET . . . . . . . . . . . . . 33.0 mmm -69.72 -32.93 71.77 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 115.9 -0.591 . . . . 0.0 110.748 -174.082 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 40.8 mt-10 -63.43 -48.35 78.12 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-O 121.204 0.526 . . . . 0.0 109.806 177.277 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 39.1 mtt180 -70.63 -32.26 69.51 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-N 115.436 -0.802 . . . . 0.0 110.71 -175.297 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -62.04 -44.72 96.09 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-O 121.092 0.473 . . . . 0.0 110.549 176.34 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 72' ' ' ASN . . . . . . . . . . . . . 28.8 m-80 -72.49 -38.92 68.02 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 116.002 -0.545 . . . . 0.0 110.779 178.293 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 92.3 mttt -60.31 -40.78 91.76 Favored 'General case' 0 C--O 1.236 0.357 0 CA-C-N 116.353 -0.385 . . . . 0.0 110.775 177.353 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -58.02 -51.73 68.47 Favored 'General case' 0 N--CA 1.454 -0.255 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.108 176.63 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 75' ' ' ARG . . . . . 0.573 ' HE ' ' HE1' ' A' ' 103' ' ' MET . 33.6 ttm180 -56.36 -49.42 74.47 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 115.792 -0.64 . . . . 0.0 111.018 -178.289 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 85.0 mtt180 -61.17 -52.04 66.49 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 115.801 -0.636 . . . . 0.0 111.664 -176.627 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 77' ' ' ARG . . . . . 0.543 ' O ' HG23 ' A' ' 81' ' ' VAL . 51.8 mtt180 -83.89 -20.26 33.36 Favored 'General case' 0 C--N 1.327 -0.398 0 N-CA-C 112.784 0.661 . . . . 0.0 112.784 -171.63 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 78' ' ' CYS . . . . . . . . . . . . . 89.8 m -66.74 -44.57 81.14 Favored 'General case' 0 C--N 1.329 -0.317 0 N-CA-C 109.072 -0.714 . . . . 0.0 109.072 170.229 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . -59.92 -32.95 76.6 Favored Glycine 0 N--CA 1.447 -0.616 0 CA-C-N 115.867 -0.606 . . . . 0.0 112.083 175.457 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 32.0 tt0 -68.95 -40.9 78.68 Favored 'General case' 0 N--CA 1.455 -0.215 0 C-N-CA 121.161 -0.216 . . . . 0.0 110.436 177.12 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 81' ' ' VAL . . . . . 0.543 HG23 ' O ' ' A' ' 77' ' ' ARG . 93.2 t -60.39 -45.95 95.85 Favored 'Isoleucine or valine' 0 C--O 1.232 0.158 0 CA-C-O 120.929 0.395 . . . . 0.0 110.147 176.311 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 82' ' ' PHE . . . . . 0.454 ' O ' HG13 ' A' ' 86' ' ' ILE . 49.1 m-85 -57.91 -45.04 87.12 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 116.071 -0.513 . . . . 0.0 110.758 176.622 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 15.3 ttm180 -68.22 -39.61 82.33 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.11 -0.496 . . . . 0.0 110.623 -179.663 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 84' ' ' TYR . . . . . . . . . . . . . 55.8 t80 -56.25 -44.79 80.02 Favored 'General case' 0 CA--C 1.517 -0.318 0 CA-C-N 116.12 -0.491 . . . . 0.0 109.881 175.546 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 85' ' ' ALA . . . . . 0.435 ' HB2' HD12 ' A' ' 47' ' ' ILE . . . -63.0 -38.61 91.89 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-N 115.753 -0.658 . . . . 0.0 111.115 179.325 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 86' ' ' ILE . . . . . 0.454 HG13 ' O ' ' A' ' 82' ' ' PHE . 76.5 mt -62.28 -44.0 98.65 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.529 0 CA-C-O 120.964 0.411 . . . . 0.0 110.505 177.624 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 87' ' ' VAL . . . . . . . . . . . . . 62.1 t -68.98 -32.93 56.49 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.294 0 CA-C-N 116.089 -0.505 . . . . 0.0 111.253 179.531 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 88' ' ' THR . . . . . . . . . . . . . 16.9 p -86.93 3.22 46.55 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-O 121.114 0.483 . . . . 0.0 111.266 -179.689 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . 68.39 31.53 74.28 Favored Glycine 0 N--CA 1.449 -0.444 0 CA-C-N 115.96 -0.564 . . . . 0.0 112.533 178.351 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 90' ' ' ARG . . . . . 0.488 ' HD3' HG12 ' A' ' 10' ' ' ILE . 95.8 mtt-85 -104.56 -23.9 13.06 Favored 'General case' 0 C--N 1.321 -0.643 0 CA-C-O 120.8 0.333 . . . . 0.0 110.922 -179.933 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . -132.95 155.74 48.55 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-O 120.932 0.396 . . . . 0.0 111.046 -178.04 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 82.0 mttt -109.54 -64.8 1.21 Allowed 'General case' 0 C--N 1.325 -0.494 0 CA-C-N 115.614 -0.721 . . . . 0.0 109.845 -179.32 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 93' ' ' TYR . . . . . . . . . . . . . 56.3 t80 -114.61 130.45 56.78 Favored 'General case' 0 C--N 1.323 -0.567 0 CA-C-N 115.345 -0.843 . . . . 0.0 109.424 -179.781 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 94' ' ' ASN . . . . . 0.484 ' HA ' ' HD3' ' A' ' 95' ' ' PRO . 22.1 p-10 -102.74 131.36 22.38 Favored Pre-proline 0 C--N 1.32 -0.675 0 CA-C-O 120.735 0.302 . . . . 0.0 110.305 178.962 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 95' ' ' PRO . . . . . 0.484 ' HD3' ' HA ' ' A' ' 94' ' ' ASN . 6.5 Cg_exo -73.89 29.08 0.32 Allowed 'Trans proline' 0 C--N 1.343 0.284 0 C-N-CA 123.31 2.674 . . . . 0.0 113.177 -177.321 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 96' ' ' ALA . . . . . 0.549 ' HB1' ' HD3' ' A' ' 97' ' ' PRO . . . -63.21 -48.21 83.69 Favored Pre-proline 0 C--N 1.324 -0.509 0 CA-C-N 116.687 -0.233 . . . . 0.0 111.409 178.591 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 97' ' ' PRO . . . . . 0.549 ' HD3' ' HB1' ' A' ' 96' ' ' ALA . 53.1 Cg_exo -57.99 -39.18 88.29 Favored 'Trans proline' 0 C--N 1.357 0.984 0 C-N-CA 121.9 1.734 . . . . 0.0 112.313 174.708 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 98' ' ' ASP . . . . . 0.798 ' HB3' ' HB3' ' A' ' 52' ' ' PRO . 3.7 m-20 -66.66 -40.23 88.53 Favored 'General case' 0 CA--C 1.517 -0.317 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.709 178.385 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 99' ' ' LEU . . . . . 0.643 ' HB2' HD22 ' A' ' 55' ' ' LEU . 2.9 tm? -54.68 -49.2 71.22 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 115.937 -0.574 . . . . 0.0 110.129 176.822 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 100' ' ' ALA . . . . . . . . . . . . . . . -64.35 -42.68 96.1 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 116.114 -0.494 . . . . 0.0 111.265 -178.545 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 11.4 t70 -71.15 -45.59 63.21 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.328 -0.397 . . . . 0.0 111.143 -175.495 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -63.55 -38.27 90.48 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 116.032 -0.531 . . . . 0.0 110.659 179.919 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 103' ' ' MET . . . . . 0.573 ' HE1' ' HE ' ' A' ' 75' ' ' ARG . 47.8 ttm -58.58 -43.43 89.45 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.026 -0.534 . . . . 0.0 110.426 177.638 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 104' ' ' LYS . . . . . . . . . . . . . 23.0 tptm -69.66 -42.57 74.03 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-N 115.575 -0.739 . . . . 0.0 110.808 -179.211 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 105' ' ' GLY . . . . . 0.566 ' HA2' ' HE3' ' A' ' 108' ' ' LYS . . . -72.77 -39.1 56.09 Favored Glycine 0 N--CA 1.45 -0.371 0 CA-C-N 115.853 -0.612 . . . . 0.0 113.137 -176.287 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 106' ' ' TYR . . . . . . . . . . . . . 88.0 t80 -57.61 -40.84 80.03 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-O 120.821 0.343 . . . . 0.0 111.88 -176.9 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 107' ' ' ARG . . . . . 0.44 ' HG3' ' O ' ' A' ' 103' ' ' MET . 77.2 mtt-85 -68.01 -13.91 62.55 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.336 -0.393 . . . . 0.0 111.706 -173.634 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 108' ' ' LYS . . . . . 0.65 ' HB2' ' HZ2' ' A' ' 108' ' ' LYS . 9.8 mtmp? -75.99 -17.35 59.73 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-O 120.828 0.347 . . . . 0.0 111.013 -178.426 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 109' ' ' LYS . . . . . 0.52 ' HZ2' ' HB3' ' A' ' 109' ' ' LYS . 6.5 ttpm? -86.98 -0.77 57.16 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 121.41 0.624 . . . . 0.0 110.256 179.75 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 110' ' ' ASN . . . . . . . . . . . . . 64.4 t30 -111.12 105.91 14.79 Favored 'General case' 0 C--N 1.322 -0.604 0 N-CA-C 109.339 -0.615 . . . . 0.0 109.339 174.753 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 111' ' ' LEU . . . . . . . . . . . . . 47.3 tp -74.42 -48.71 26.04 Favored 'General case' 0 C--N 1.321 -0.674 0 CA-C-N 116.056 -0.52 . . . . 0.0 111.005 -176.608 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 112' ' ' GLU . . . . . . . . . . . . . 41.1 mt-10 -102.62 127.65 49.63 Favored 'General case' 0 C--N 1.321 -0.644 0 CA-C-N 116.093 -0.503 . . . . 0.0 109.782 -177.556 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 113' ' ' HIS . . . . . . . . . . . . . 46.7 m170 -64.46 -27.59 69.09 Favored 'General case' 0 N--CA 1.464 0.262 0 CA-C-O 121.186 0.517 . . . . 0.0 110.398 -176.138 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 114' ' ' HIS . . . . . . . . . . . . . 47.0 m-70 -108.85 99.94 9.22 Favored 'General case' 0 C--N 1.321 -0.654 0 N-CA-C 108.668 -0.864 . . . . 0.0 108.668 169.239 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 115' ' ' HIS . . . . . . . . . . . . . 6.1 t-160 -61.98 -37.25 84.1 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-N 115.446 -0.797 . . . . 0.0 109.646 -176.398 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 116' ' ' HIS . . . . . . . . . . . . . 76.6 t60 -81.56 129.49 34.7 Favored 'General case' 0 N--CA 1.449 -0.506 0 CA-C-N 115.771 -0.649 . . . . 0.0 109.458 174.213 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 117' ' ' HIS . . . . . . . . . . . . . 12.3 m170 -81.95 153.76 26.1 Favored 'General case' 0 C--N 1.322 -0.606 0 CA-C-O 121.039 0.447 . . . . 0.0 110.898 -176.764 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 118' ' ' HIS . . . . . . . . . . . . . 64.0 m-70 . . . . . 0 C--O 1.245 0.846 0 CA-C-O 118.372 -0.823 . . . . 0.0 109.853 -177.107 . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 3.3 p . . . . . 0 N--CA 1.474 0.762 0 CA-C-O 121.095 0.474 . . . . 0.0 110.822 . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 2' ' ' SER . . . . . 0.473 ' HB3' ' HB2' ' A' ' 13' ' ' GLU . 34.0 p -95.97 117.69 31.13 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 116.073 -0.512 . . . . 0.0 110.263 177.733 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 3' ' ' ASN . . . . . . . . . . . . . 31.3 p-10 -106.16 -8.33 17.46 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-O 121.014 0.435 . . . . 0.0 110.613 -179.182 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 4' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -90.98 165.32 13.61 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.176 176.623 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 13.8 m120 -108.83 7.43 26.17 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-O 121.173 0.511 . . . . 0.0 110.107 177.366 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 6' ' ' SER . . . . . 0.443 ' HA ' ' HA ' ' A' ' 46' ' ' GLU . 6.9 m -76.9 153.27 34.86 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-N 115.686 -0.688 . . . . 0.0 110.371 -179.388 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 7' ' ' PHE . . . . . . . . . . . . . 46.3 t80 -60.14 -46.81 88.4 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.299 -0.409 . . . . 0.0 111.172 -175.884 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 68.0 m -59.87 -35.21 74.32 Favored 'General case' 0 C--N 1.331 -0.206 0 N-CA-C 111.612 0.227 . . . . 0.0 111.612 -178.326 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -64.28 -50.38 68.11 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-O 120.856 0.36 . . . . 0.0 111.004 -179.639 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 55.5 mt -73.09 -31.46 35.13 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.412 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.433 -179.286 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -62.25 -39.3 92.41 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.093 173.403 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 86.3 tttt -69.57 -42.03 75.05 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 115.902 -0.59 . . . . 0.0 110.08 178.865 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 13' ' ' GLU . . . . . 0.473 ' HB2' ' HB3' ' A' ' 2' ' ' SER . 46.9 tp10 -59.39 -46.13 89.54 Favored 'General case' 0 C--O 1.236 0.384 0 CA-C-O 121.4 0.619 . . . . 0.0 109.991 175.375 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 14' ' ' TRP . . . . . 0.443 ' HZ2' ' HD2' ' A' ' 77' ' ' ARG . 44.9 t90 -60.3 -54.19 48.67 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 114.993 -1.003 . . . . 0.0 110.526 177.349 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 15' ' ' TYR . . . . . . . . . . . . . 22.2 t80 -55.77 -46.89 77.83 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.314 -0.403 . . . . 0.0 111.311 179.225 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 1.4 tm-20 -53.71 -47.85 70.15 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 121.083 0.468 . . . . 0.0 110.697 -177.088 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 17' ' ' HIS . . . . . . . . . . . . . 6.6 m-70 -83.22 -38.95 21.56 Favored 'General case' 0 C--N 1.321 -0.64 0 CA-C-N 116.113 -0.494 . . . . 0.0 111.104 -175.314 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 25.6 tptp -71.87 -21.66 61.62 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 116.462 -0.335 . . . . 0.0 111.276 -175.143 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 16.0 pttm -69.03 -12.16 61.43 Favored 'General case' 0 C--N 1.331 -0.202 0 CA-C-O 120.774 0.321 . . . . 0.0 110.696 -179.229 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 95.3 mt-30 -78.04 -25.91 48.08 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.965 0.412 . . . . 0.0 110.273 176.876 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 27.6 t -87.03 -29.37 5.72 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.389 0 CA-C-O 121.401 0.62 . . . . 0.0 110.02 178.88 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 22' ' ' TRP . . . . . . . . . . . . . 30.2 m0 -94.71 178.5 5.57 Favored 'General case' 0 C--N 1.323 -0.557 0 CA-C-N 115.803 -0.635 . . . . 0.0 110.408 177.277 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 43.8 m -87.96 143.86 26.87 Favored 'General case' 0 C--N 1.318 -0.785 0 N-CA-C 108.63 -0.878 . . . . 0.0 108.63 170.118 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 11.2 p -58.35 -33.56 47.97 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.383 0 O-C-N 123.12 0.263 . . . . 0.0 111.498 -172.949 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -62.13 -55.35 28.43 Favored Glycine 0 N--CA 1.45 -0.417 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.002 178.324 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 26' ' ' TYR . . . . . . . . . . . . . 70.5 t80 -68.75 -33.94 74.75 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.561 0.219 . . . . 0.0 110.917 179.855 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -58.6 -49.47 77.35 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-O 120.843 0.354 . . . . 0.0 110.535 178.147 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 9.2 m -70.71 -31.13 67.88 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.722 179.096 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 39.5 tt0 -65.59 -47.0 77.25 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 121.094 0.473 . . . . 0.0 110.249 176.823 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 10.3 tt -64.18 -37.93 89.24 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 115.722 -0.672 . . . . 0.0 109.721 176.771 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -62.73 -44.18 96.89 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 115.967 -0.56 . . . . 0.0 110.636 176.756 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 60.2 tttp -68.09 -31.32 70.86 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.384 -0.371 . . . . 0.0 110.586 179.003 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 33' ' ' MET . . . . . . . . . . . . . 11.9 tmm? -64.48 -52.55 57.32 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.049 174.905 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 34' ' ' PHE . . . . . 0.442 ' CG ' HD12 ' A' ' 38' ' ' ILE . 3.7 m-85 -56.67 -39.76 74.33 Favored 'General case' 0 N--CA 1.462 0.15 0 CA-C-N 116.015 -0.539 . . . . 0.0 110.196 173.883 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 35' ' ' ASP . . . . . 0.767 ' HA ' ' HG ' ' A' ' 39' ' ' LEU . 9.7 t70 -60.24 -67.05 0.43 Allowed 'General case' 0 C--N 1.324 -0.512 0 CA-C-N 115.268 -0.878 . . . . 0.0 111.382 -179.262 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 30.5 t70 -62.69 -36.28 82.42 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-N 115.553 -0.749 . . . . 0.0 112.519 -167.505 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 45.0 m-20 -100.93 -52.54 3.27 Favored 'General case' 0 C--N 1.324 -0.533 0 C-N-CA 120.743 -0.383 . . . . 0.0 111.942 -175.603 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 38' ' ' ILE . . . . . 0.53 HG12 HG12 ' A' ' 58' ' ' VAL . 15.8 mt -78.54 -35.01 18.43 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.641 0 N-CA-C 112.536 0.569 . . . . 0.0 112.536 -169.485 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 39' ' ' LEU . . . . . 0.767 ' HG ' ' HA ' ' A' ' 35' ' ' ASP . 19.6 mt -64.75 -47.19 75.84 Favored Pre-proline 0 CA--C 1.534 0.339 0 N-CA-C 113.043 0.757 . . . . 0.0 113.043 -174.068 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 40' ' ' PRO . . . . . 0.489 ' HD2' ' N ' ' A' ' 39' ' ' LEU . 26.7 Cg_endo -63.44 -15.57 49.27 Favored 'Trans proline' 0 C--N 1.353 0.808 0 C-N-CA 121.603 1.535 . . . . 0.0 112.546 176.857 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 41' ' ' ILE . . . . . 0.649 HG21 HG21 ' A' ' 42' ' ' ILE . 57.6 mt -91.07 -61.33 1.99 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 116.529 -0.305 . . . . 0.0 110.929 -179.171 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 42' ' ' ILE . . . . . 0.649 HG21 HG21 ' A' ' 41' ' ' ILE . 7.8 pt -130.74 -3.09 2.33 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.24 0 N-CA-C 112.702 0.63 . . . . 0.0 112.702 -177.263 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 43' ' ' GLY . . . . . 0.55 ' HA3' ' HA ' ' A' ' 39' ' ' LEU . . . -60.54 -34.75 87.1 Favored Glycine 0 N--CA 1.453 -0.176 0 C-N-CA 120.354 -0.927 . . . . 0.0 112.527 -176.485 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -85.35 4.65 85.31 Favored Glycine 0 N--CA 1.445 -0.707 0 C-N-CA 120.636 -0.792 . . . . 0.0 112.612 179.757 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 88.4 mt -94.97 169.37 10.18 Favored 'General case' 0 N--CA 1.449 -0.498 0 CA-C-O 120.991 0.424 . . . . 0.0 110.443 -179.933 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 46' ' ' GLU . . . . . 0.443 ' HA ' ' HA ' ' A' ' 6' ' ' SER . 40.0 tt0 -87.25 138.3 31.6 Favored 'General case' 0 C--N 1.32 -0.717 0 N-CA-C 109.299 -0.63 . . . . 0.0 109.299 177.789 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 47' ' ' ILE . . . . . 0.492 HD11 ' HA ' ' A' ' 82' ' ' PHE . 15.7 tt -64.05 -20.87 27.6 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.421 0 CA-C-O 121.133 0.492 . . . . 0.0 111.4 -173.754 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 79.7 mt-30 -85.42 -16.05 41.01 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 116.09 -0.505 . . . . 0.0 111.37 179.47 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 17.9 t70 -136.13 84.22 2.06 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-O 121.119 0.485 . . . . 0.0 110.935 -175.268 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 50' ' ' ILE . . . . . . . . . . . . . 78.9 mt -130.67 132.46 64.27 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.662 0 CA-C-N 115.696 -0.684 . . . . 0.0 109.741 176.324 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 37.7 mt-10 -71.38 140.04 84.65 Favored Pre-proline 0 C--N 1.327 -0.391 0 CA-C-N 116.665 -0.243 . . . . 0.0 110.571 -179.517 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 52' ' ' PRO . . . . . 0.658 ' HB3' ' HB3' ' A' ' 98' ' ' ASP . 41.4 Cg_exo -57.27 -34.69 98.28 Favored 'Trans proline' 0 C--N 1.341 0.172 0 C-N-CA 122.477 2.118 . . . . 0.0 111.177 174.457 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 53' ' ' MET . . . . . . . . . . . . . 89.4 mtp -66.32 -36.03 81.9 Favored 'General case' 0 C--O 1.223 -0.294 0 CA-C-N 115.552 -0.749 . . . . 0.0 110.621 178.506 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 77.8 mt-30 -75.32 -39.18 59.77 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 116.255 -0.43 . . . . 0.0 111.196 -178.803 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 21.7 tp -66.49 -33.92 76.76 Favored 'General case' 0 C--N 1.323 -0.573 0 N-CA-C 109.269 -0.641 . . . . 0.0 109.269 176.399 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 2.6 tm? -70.3 -36.17 74.17 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 115.821 -0.627 . . . . 0.0 109.787 174.777 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 57' ' ' GLU . . . . . 0.456 ' CD ' HH21 ' A' ' 60' ' ' ARG . 5.9 tp10 -61.38 -34.26 75.04 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 120.941 0.401 . . . . 0.0 109.945 177.886 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 58' ' ' VAL . . . . . 0.53 HG12 HG12 ' A' ' 38' ' ' ILE . 61.7 t -60.54 -55.49 24.06 Favored 'Isoleucine or valine' 0 C--O 1.236 0.35 0 CA-C-O 121.502 0.668 . . . . 0.0 110.352 173.801 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 59' ' ' ILE . . . . . 0.457 HG23 ' HE1' ' A' ' 103' ' ' MET . 1.7 mp -57.89 -45.34 87.57 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.57 0 CA-C-N 115.398 -0.819 . . . . 0.0 110.521 178.887 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 60' ' ' ARG . . . . . 0.456 HH21 ' CD ' ' A' ' 57' ' ' GLU . 13.8 ttp180 -69.92 -24.94 63.45 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 115.875 -0.602 . . . . 0.0 110.758 -177.923 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 61' ' ' ARG . . . . . 0.431 ' HB3' ' O ' ' A' ' 58' ' ' VAL . 16.1 tpt180 -60.39 -42.94 96.96 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.062 -0.517 . . . . 0.0 109.61 174.943 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 62' ' ' PHE . . . . . . . . . . . . . 93.9 m-85 -73.66 -32.22 63.87 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 115.816 -0.629 . . . . 0.0 110.994 176.399 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 41.2 mt-10 -68.91 -20.67 64.24 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.482 -0.326 . . . . 0.0 111.425 179.214 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 18.4 t70 -63.66 -41.05 98.25 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 121.128 0.49 . . . . 0.0 110.524 176.695 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 80.4 mtm-85 -87.48 -15.99 36.06 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-N 115.865 -0.607 . . . . 0.0 110.265 179.172 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 92.78 19.75 36.23 Favored Glycine 0 N--CA 1.452 -0.293 0 C-N-CA 120.97 -0.633 . . . . 0.0 112.511 177.209 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -82.79 77.41 9.54 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-O 120.888 0.375 . . . . 0.0 110.568 -179.647 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 68' ' ' MET . . . . . 0.905 ' HA ' ' HE3' ' A' ' 68' ' ' MET . 7.0 mmt -60.23 -42.16 94.62 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 115.999 -0.546 . . . . 0.0 111.377 -177.29 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 27.4 mt-10 -63.36 -46.31 87.13 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-N 115.979 -0.555 . . . . 0.0 110.4 -177.897 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 95.0 mtt180 -77.35 -26.49 52.07 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 115.852 -0.613 . . . . 0.0 111.283 -176.567 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -67.37 -47.66 69.73 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 121.054 0.454 . . . . 0.0 110.371 176.413 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 72' ' ' ASN . . . . . . . . . . . . . 88.8 m-20 -69.52 -31.1 69.12 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 115.964 -0.562 . . . . 0.0 110.652 178.573 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 74.5 tttt -74.8 -33.04 62.17 Favored 'General case' 0 N--CA 1.453 -0.311 0 CA-C-N 116.394 -0.366 . . . . 0.0 110.1 178.495 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -59.49 -48.26 82.34 Favored 'General case' 0 CA--C 1.519 -0.236 0 N-CA-C 109.677 -0.49 . . . . 0.0 109.677 174.221 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 72.2 ttt180 -54.68 -51.64 64.86 Favored 'General case' 0 C--O 1.234 0.27 0 CA-C-N 115.873 -0.603 . . . . 0.0 110.774 176.297 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 23.2 mtp180 -59.61 -53.85 53.23 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 115.967 -0.56 . . . . 0.0 111.907 -179.049 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 77' ' ' ARG . . . . . 0.473 ' O ' HG22 ' A' ' 81' ' ' VAL . 21.3 mmt180 -71.83 -32.55 67.65 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-N 116.435 -0.348 . . . . 0.0 111.901 -172.445 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 78' ' ' CYS . . . . . . . . . . . . . 99.5 m -63.81 -46.38 85.39 Favored 'General case' 0 C--N 1.329 -0.295 0 N-CA-C 109.231 -0.655 . . . . 0.0 109.231 172.342 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . -60.82 -27.51 66.81 Favored Glycine 0 N--CA 1.448 -0.502 0 C-N-CA 120.938 -0.649 . . . . 0.0 111.848 175.569 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 31.2 tt0 -73.81 -37.65 64.82 Favored 'General case' 0 C--N 1.329 -0.317 0 N-CA-C 110.238 -0.282 . . . . 0.0 110.238 177.208 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 81' ' ' VAL . . . . . 0.473 HG22 ' O ' ' A' ' 77' ' ' ARG . 86.0 t -61.8 -45.6 98.34 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.229 0 N-CA-C 109.573 -0.528 . . . . 0.0 109.573 172.919 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 82' ' ' PHE . . . . . 0.5 ' O ' HG13 ' A' ' 86' ' ' ILE . 57.8 m-85 -58.29 -49.88 75.59 Favored 'General case' 0 C--N 1.332 -0.18 0 CA-C-N 115.906 -0.588 . . . . 0.0 110.402 174.493 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 83' ' ' ARG . . . . . 0.516 ' O ' HG22 ' A' ' 87' ' ' VAL . 4.9 ttp180 -58.33 -41.25 84.14 Favored 'General case' 0 C--N 1.332 -0.188 0 CA-C-N 115.954 -0.566 . . . . 0.0 111.268 179.474 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 84' ' ' TYR . . . . . . . . . . . . . 61.9 t80 -61.47 -40.27 93.91 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-O 121.105 0.479 . . . . 0.0 110.162 178.742 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 85' ' ' ALA . . . . . 0.491 ' HA ' HG23 ' A' ' 88' ' ' THR . . . -71.48 -29.59 65.01 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 115.842 -0.617 . . . . 0.0 110.933 178.423 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 86' ' ' ILE . . . . . 0.5 HG13 ' O ' ' A' ' 82' ' ' PHE . 81.2 mt -66.86 -43.26 89.67 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.395 0 CA-C-O 121.026 0.441 . . . . 0.0 109.956 174.401 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 87' ' ' VAL . . . . . 0.516 HG22 ' O ' ' A' ' 83' ' ' ARG . 91.2 t -63.47 -43.0 98.21 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 115.834 -0.621 . . . . 0.0 111.061 179.149 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 88' ' ' THR . . . . . 0.491 HG23 ' HA ' ' A' ' 85' ' ' ALA . 3.5 t -73.32 -14.5 61.31 Favored 'General case' 0 CA--C 1.537 0.459 0 CA-C-O 121.077 0.465 . . . . 0.0 110.443 -179.966 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . 86.26 27.64 30.05 Favored Glycine 0 C--N 1.331 0.305 0 C-N-CA 120.995 -0.621 . . . . 0.0 113.377 174.967 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 74.7 mtt180 -120.79 7.95 10.51 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-O 121.02 0.438 . . . . 0.0 111.167 179.002 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . -140.1 134.9 31.96 Favored 'General case' 0 C--N 1.323 -0.573 0 N-CA-C 109.238 -0.653 . . . . 0.0 109.238 170.658 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 97.8 mttt -91.27 -47.22 7.61 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-O 120.689 0.28 . . . . 0.0 111.354 -175.427 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 93' ' ' TYR . . . . . . . . . . . . . 12.7 p90 -138.79 162.68 34.13 Favored 'General case' 0 C--N 1.323 -0.586 0 N-CA-C 109.974 -0.38 . . . . 0.0 109.974 -179.111 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 94' ' ' ASN . . . . . 0.407 ' HB3' ' HB3' ' A' ' 82' ' ' PHE . 27.6 p-10 -119.34 135.76 24.17 Favored Pre-proline 0 C--N 1.32 -0.685 0 CA-C-N 116.187 -0.461 . . . . 0.0 109.931 177.237 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 95' ' ' PRO . . . . . . . . . . . . . 72.8 Cg_endo -75.88 32.99 0.39 Allowed 'Trans proline' 0 CA--C 1.53 0.31 0 C-N-CA 122.788 2.325 . . . . 0.0 113.076 -177.919 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 96' ' ' ALA . . . . . 0.579 ' N ' ' HD2' ' A' ' 97' ' ' PRO . . . -66.52 -44.74 56.78 Favored Pre-proline 0 C--N 1.327 -0.412 0 CA-C-N 116.478 -0.328 . . . . 0.0 111.879 179.315 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 97' ' ' PRO . . . . . 0.579 ' HD2' ' N ' ' A' ' 96' ' ' ALA . 16.1 Cg_endo -58.31 -43.58 45.58 Favored 'Trans proline' 0 C--N 1.357 0.997 0 C-N-CA 122.068 1.845 . . . . 0.0 112.152 174.588 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 98' ' ' ASP . . . . . 0.658 ' HB3' ' HB3' ' A' ' 52' ' ' PRO . 2.1 m-20 -70.05 -32.21 70.21 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.419 -0.355 . . . . 0.0 111.123 178.902 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 99' ' ' LEU . . . . . . . . . . . . . 3.2 tm? -58.0 -50.66 72.65 Favored 'General case' 0 C--N 1.328 -0.338 0 N-CA-C 109.203 -0.665 . . . . 0.0 109.203 173.182 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 100' ' ' ALA . . . . . 0.579 ' O ' ' HG3' ' A' ' 104' ' ' LYS . . . -63.72 -42.55 97.91 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 115.566 -0.743 . . . . 0.0 110.719 179.059 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 12.4 t70 -64.77 -40.22 94.91 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.867 -178.285 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -65.71 -37.25 85.91 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.427 177.794 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 103' ' ' MET . . . . . 0.457 ' HE1' HG23 ' A' ' 59' ' ' ILE . 46.5 ttm -64.06 -38.01 89.51 Favored 'General case' 0 C--N 1.323 -0.571 0 CA-C-N 116.012 -0.54 . . . . 0.0 110.392 177.613 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 104' ' ' LYS . . . . . 0.579 ' HG3' ' O ' ' A' ' 100' ' ' ALA . 78.1 mttt -79.05 -27.02 43.07 Favored 'General case' 0 N--CA 1.464 0.257 0 CA-C-N 115.959 -0.564 . . . . 0.0 110.814 179.117 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 105' ' ' GLY . . . . . . . . . . . . . . . -94.13 -16.2 45.12 Favored Glycine 0 N--CA 1.446 -0.648 0 C-N-CA 120.811 -0.709 . . . . 0.0 113.003 -174.534 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 106' ' ' TYR . . . . . . . . . . . . . 12.3 t80 -71.03 -22.08 62.19 Favored 'General case' 0 C--N 1.323 -0.549 0 CA-C-N 117.059 0.429 . . . . 0.0 110.262 -178.786 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 107' ' ' ARG . . . . . . . . . . . . . 13.2 ptt180 -79.87 -16.71 54.83 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.977 0.418 . . . . 0.0 109.997 175.771 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 108' ' ' LYS . . . . . . . . . . . . . 88.4 mttt -79.37 -38.69 34.38 Favored 'General case' 0 CA--C 1.517 -0.29 0 N-CA-C 108.387 -0.968 . . . . 0.0 108.387 171.311 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 109' ' ' LYS . . . . . . . . . . . . . 87.4 mttt 64.86 77.99 0.3 Allowed 'General case' 0 CA--C 1.519 -0.216 0 CA-C-N 114.021 -1.445 . . . . 0.0 110.839 -174.342 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 110' ' ' ASN . . . . . . . . . . . . . 15.9 m120 -72.0 -50.67 26.73 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 115.396 -0.82 . . . . 0.0 108.862 175.453 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 111' ' ' LEU . . . . . . . . . . . . . 68.1 mt 54.94 45.68 25.95 Favored 'General case' 0 N--CA 1.462 0.141 0 CA-C-N 115.224 -0.898 . . . . 0.0 110.955 174.622 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 112' ' ' GLU . . . . . . . . . . . . . 31.3 mt-10 -72.53 -12.67 61.17 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-N 115.649 -0.705 . . . . 0.0 111.161 -174.784 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 113' ' ' HIS . . . . . . . . . . . . . 14.5 m170 -83.59 4.65 27.33 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 115.985 -0.552 . . . . 0.0 110.372 175.154 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 114' ' ' HIS . . . . . . . . . . . . . 17.6 m80 -141.6 108.35 5.38 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 115.745 -0.661 . . . . 0.0 109.999 174.063 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 115' ' ' HIS . . . . . . . . . . . . . 85.8 m-70 -74.3 107.5 6.5 Favored 'General case' 0 C--N 1.322 -0.625 0 CA-C-O 121.217 0.532 . . . . 0.0 110.09 -178.738 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 116' ' ' HIS . . . . . . . . . . . . . 1.0 OUTLIER -89.18 130.97 35.51 Favored 'General case' 0 C--N 1.32 -0.678 0 CA-C-N 115.635 -0.712 . . . . 0.0 110.688 -172.107 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 117' ' ' HIS . . . . . . . . . . . . . 43.1 m-70 -132.63 158.7 41.58 Favored 'General case' 0 C--N 1.321 -0.647 0 CA-C-N 115.805 -0.634 . . . . 0.0 109.945 178.328 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 118' ' ' HIS . . . . . . . . . . . . . 42.3 m170 . . . . . 0 C--O 1.246 0.89 0 CA-C-O 118.464 -0.779 . . . . 0.0 109.491 175.536 . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 20.9 m . . . . . 0 N--CA 1.477 0.921 0 CA-C-O 121.192 0.52 . . . . 0.0 110.229 . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 30.8 p -77.18 104.66 7.81 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-N 115.685 -0.689 . . . . 0.0 110.561 -178.851 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 3' ' ' ASN . . . . . . . . . . . . . 91.5 m-20 -110.0 86.49 2.31 Favored 'General case' 0 C--N 1.322 -0.591 0 CA-C-O 121.143 0.497 . . . . 0.0 109.86 179.37 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 4' ' ' ASN . . . . . . . . . . . . . 7.0 m-20 -95.93 166.52 11.74 Favored 'General case' 0 C--N 1.323 -0.586 0 CA-C-N 115.557 -0.747 . . . . 0.0 110.777 -176.756 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 12.6 m120 -108.52 17.03 22.49 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.666 -178.742 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 6' ' ' SER . . . . . 0.521 ' HA ' ' HA ' ' A' ' 46' ' ' GLU . 4.7 p -70.73 147.3 49.18 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.111 177.542 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 7' ' ' PHE . . . . . 0.668 ' HE1' ' HZ ' ' A' ' 34' ' ' PHE . 15.3 t80 -64.12 -40.61 96.57 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 116.266 -0.424 . . . . 0.0 110.653 -175.571 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 20.4 p -57.58 -45.68 84.94 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.373 -0.376 . . . . 0.0 111.303 179.07 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -63.21 -50.15 71.41 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.156 -0.474 . . . . 0.0 111.473 -178.109 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 10' ' ' ILE . . . . . 0.411 HD12 HG23 ' A' ' 47' ' ' ILE . 57.5 mt -68.4 -37.33 77.7 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.386 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.826 -177.938 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 11' ' ' TYR . . . . . 0.562 ' HH ' ' HA ' ' A' ' 31' ' ' ALA . 87.5 t80 -58.94 -38.7 79.6 Favored 'General case' 0 C--O 1.223 -0.325 0 N-CA-C 110.165 -0.309 . . . . 0.0 110.165 174.621 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 84.6 tttt -67.4 -40.38 85.63 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.594 -0.276 . . . . 0.0 110.871 -178.463 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 13' ' ' GLU . . . . . 0.47 ' O ' ' HD2' ' A' ' 17' ' ' HIS . 37.6 tt0 -64.07 -50.57 67.86 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 121.081 0.467 . . . . 0.0 109.794 177.153 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 14' ' ' TRP . . . . . . . . . . . . . 69.1 t90 -57.26 -44.24 83.76 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 115.502 -0.772 . . . . 0.0 110.285 176.847 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 15' ' ' TYR . . . . . 0.504 ' CE1' ' HB2' ' A' ' 31' ' ' ALA . 42.1 t80 -61.52 -46.94 87.81 Favored 'General case' 0 C--O 1.222 -0.364 0 CA-C-N 115.79 -0.641 . . . . 0.0 111.472 178.253 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 28.6 tt0 -59.55 -41.34 89.88 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.82 0.343 . . . . 0.0 110.658 -176.918 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 17' ' ' HIS . . . . . 0.47 ' HD2' ' O ' ' A' ' 13' ' ' GLU . 70.1 m-70 -67.48 -42.22 83.29 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.608 177.929 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 39.4 mmtm -69.18 -27.41 65.49 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-O 120.924 0.392 . . . . 0.0 111.086 178.36 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 37.7 ttpt -65.07 -23.41 67.17 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-N 116.024 -0.534 . . . . 0.0 110.452 178.848 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 90.8 mt-30 -80.69 -17.43 51.13 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-N 115.917 -0.583 . . . . 0.0 110.094 177.975 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 50.5 t -93.83 -51.4 11.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 115.59 -0.732 . . . . 0.0 110.668 -179.222 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 22' ' ' TRP . . . . . . . . . . . . . 11.9 m0 -81.82 171.68 14.23 Favored 'General case' 0 C--N 1.322 -0.623 0 CA-C-N 115.852 -0.613 . . . . 0.0 110.581 -178.176 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 11.6 p -76.05 142.86 41.69 Favored 'General case' 0 C--N 1.323 -0.583 0 CA-C-N 115.916 -0.583 . . . . 0.0 109.568 173.254 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 14.2 p -57.19 -36.77 52.9 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.351 0 N-CA-C 111.741 0.275 . . . . 0.0 111.741 -175.941 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -64.18 -43.31 97.3 Favored Glycine 0 N--CA 1.451 -0.358 0 C-N-CA 120.79 -0.719 . . . . 0.0 112.008 178.933 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 26' ' ' TYR . . . . . . . . . . . . . 78.1 t80 -71.27 -40.25 71.06 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-O 121.001 0.429 . . . . 0.0 109.972 178.712 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -60.45 -46.75 88.94 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 115.766 -0.652 . . . . 0.0 111.186 179.982 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 94.6 m -59.86 -44.77 93.96 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.678 -0.237 . . . . 0.0 111.169 178.438 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 32.3 tt0 -62.18 -44.83 95.73 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-O 120.888 0.375 . . . . 0.0 110.536 -179.623 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 8.8 tt -63.15 -45.3 92.54 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 115.693 -0.685 . . . . 0.0 110.696 -179.148 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 31' ' ' ALA . . . . . 0.562 ' HA ' ' HH ' ' A' ' 11' ' ' TYR . . . -68.96 -47.33 65.89 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.074 -0.512 . . . . 0.0 111.313 -178.562 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 64.7 tttm -60.14 -39.49 86.5 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.928 0.394 . . . . 0.0 110.731 -179.481 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 33' ' ' MET . . . . . 0.633 ' SD ' ' HD3' ' A' ' 70' ' ' ARG . 45.8 ttp -60.16 -39.4 86.28 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-O 121.211 0.529 . . . . 0.0 110.26 176.835 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 34' ' ' PHE . . . . . 0.668 ' HZ ' ' HE1' ' A' ' 7' ' ' PHE . 18.8 t80 -67.29 -46.8 72.52 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 115.753 -0.658 . . . . 0.0 109.644 178.179 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 35' ' ' ASP . . . . . 0.494 ' O ' ' HB2' ' A' ' 39' ' ' LEU . 18.4 m-20 -57.42 -54.2 49.47 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-N 116.063 -0.517 . . . . 0.0 110.984 177.307 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 10.2 m-20 -53.88 -60.15 3.69 Favored 'General case' 0 C--N 1.326 -0.426 0 N-CA-C 112.608 0.595 . . . . 0.0 112.608 -173.596 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 68.5 m-20 -90.05 -40.56 12.22 Favored 'General case' 0 C--N 1.323 -0.577 0 C-N-CA 120.639 -0.424 . . . . 0.0 112.041 -172.856 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 38' ' ' ILE . . . . . 0.564 HD12 ' CD2' ' A' ' 34' ' ' PHE . 15.6 mt -88.27 -32.07 5.88 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.634 0 N-CA-C 112.634 0.605 . . . . 0.0 112.634 -167.244 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 39' ' ' LEU . . . . . 0.494 ' HB2' ' O ' ' A' ' 35' ' ' ASP . 0.2 OUTLIER -60.74 -49.35 89.94 Favored Pre-proline 0 CA--C 1.538 0.513 0 C-N-CA 120.949 -0.301 . . . . 0.0 111.773 -175.282 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 40' ' ' PRO . . . . . 0.463 ' HD2' ' N ' ' A' ' 39' ' ' LEU . 41.5 Cg_endo -68.15 -1.38 7.02 Favored 'Trans proline' 0 C--N 1.353 0.78 0 C-N-CA 121.791 1.661 . . . . 0.0 112.902 178.329 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 41' ' ' ILE . . . . . 0.434 HG22 HG22 ' A' ' 42' ' ' ILE . 37.2 mm -102.46 -59.73 3.22 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.404 0 C-N-CA 121.225 -0.19 . . . . 0.0 110.825 179.223 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 42' ' ' ILE . . . . . 0.434 HG22 HG22 ' A' ' 41' ' ' ILE . 5.2 pt -129.04 -1.16 3.03 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.252 0 N-CA-C 112.061 0.393 . . . . 0.0 112.061 -178.162 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 43' ' ' GLY . . . . . 0.477 ' HA3' HD21 ' A' ' 39' ' ' LEU . . . -61.77 -35.33 91.1 Favored Glycine 0 N--CA 1.453 -0.232 0 C-N-CA 120.685 -0.769 . . . . 0.0 112.721 -174.326 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -88.08 -0.35 83.19 Favored Glycine 0 N--CA 1.447 -0.571 0 C-N-CA 120.695 -0.764 . . . . 0.0 112.709 -179.646 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 91.2 mt -88.37 164.63 15.44 Favored 'General case' 0 C--N 1.327 -0.377 0 N-CA-C 109.776 -0.454 . . . . 0.0 109.776 -179.474 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 46' ' ' GLU . . . . . 0.521 ' HA ' ' HA ' ' A' ' 6' ' ' SER . 42.8 mt-10 -89.29 140.14 29.79 Favored 'General case' 0 C--N 1.321 -0.637 0 N-CA-C 109.657 -0.497 . . . . 0.0 109.657 177.185 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 47' ' ' ILE . . . . . 0.424 HD11 ' HB3' ' A' ' 85' ' ' ALA . 16.5 tt -64.36 -18.21 22.57 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.611 0 CA-C-O 121.233 0.54 . . . . 0.0 111.499 -173.226 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 85.1 mt-30 -85.83 -20.71 28.74 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-N 116.036 -0.529 . . . . 0.0 110.88 -178.422 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 14.6 t70 -132.99 83.92 2.1 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-O 121.146 0.498 . . . . 0.0 110.618 -174.873 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 50' ' ' ILE . . . . . . . . . . . . . 51.7 mt -132.04 124.06 52.19 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.65 0 CA-C-N 115.67 -0.696 . . . . 0.0 109.941 175.742 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 51' ' ' GLU . . . . . 0.634 ' HG3' ' HB2' ' A' ' 54' ' ' GLN . 9.1 pt-20 -73.59 138.84 77.43 Favored Pre-proline 0 C--N 1.321 -0.638 0 CA-C-N 115.8 -0.636 . . . . 0.0 110.205 177.758 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 52' ' ' PRO . . . . . . . . . . . . . 11.2 Cg_endo -55.57 -35.15 92.06 Favored 'Trans proline' 0 C--N 1.344 0.296 0 C-N-CA 123.05 2.5 . . . . 0.0 113.022 -176.786 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 53' ' ' MET . . . . . . . . . . . . . 66.7 mtt -71.25 -27.67 63.62 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.551 -0.295 . . . . 0.0 111.009 -177.94 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 54' ' ' GLN . . . . . 0.634 ' HB2' ' HG3' ' A' ' 51' ' ' GLU . 44.2 tp60 -75.29 -41.82 56.21 Favored 'General case' 0 C--N 1.327 -0.403 0 N-CA-C 109.49 -0.559 . . . . 0.0 109.49 178.02 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 55' ' ' LEU . . . . . 0.533 ' O ' ' HB ' ' A' ' 58' ' ' VAL . 38.9 tp -64.67 -36.41 84.19 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-O 121.477 0.656 . . . . 0.0 109.437 175.365 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 56' ' ' LEU . . . . . 0.515 HD12 ' HE ' ' A' ' 60' ' ' ARG . 2.7 tm? -67.65 -32.34 72.96 Favored 'General case' 0 C--N 1.326 -0.413 0 CA-C-N 115.446 -0.797 . . . . 0.0 110.24 176.979 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 33.0 tt0 -64.29 -31.92 73.32 Favored 'General case' 0 N--CA 1.454 -0.266 0 N-CA-C 109.875 -0.417 . . . . 0.0 109.875 176.936 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 58' ' ' VAL . . . . . 0.538 HG13 HG12 ' A' ' 38' ' ' ILE . 43.8 t -58.72 -54.36 34.67 Favored 'Isoleucine or valine' 0 C--O 1.236 0.359 0 CA-C-O 121.203 0.525 . . . . 0.0 110.238 171.561 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 59' ' ' ILE . . . . . 0.5 HG23 ' HE2' ' A' ' 103' ' ' MET . 1.8 mp -55.17 -45.11 77.21 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 115.581 -0.736 . . . . 0.0 110.876 178.713 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 60' ' ' ARG . . . . . 0.515 ' HE ' HD12 ' A' ' 56' ' ' LEU . 74.5 mtt-85 -80.74 -9.69 59.78 Favored 'General case' 0 C--N 1.328 -0.364 0 N-CA-C 112.109 0.411 . . . . 0.0 112.109 -177.871 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 47.9 tpt85 -69.37 -39.55 77.99 Favored 'General case' 0 C--N 1.324 -0.506 0 N-CA-C 108.715 -0.846 . . . . 0.0 108.715 171.748 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 62' ' ' PHE . . . . . . . . . . . . . 75.5 m-85 -71.73 -33.25 68.56 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-N 115.692 -0.685 . . . . 0.0 110.263 172.594 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 63' ' ' GLU . . . . . 0.436 ' CB ' ' HA ' ' A' ' 60' ' ' ARG . 33.4 tt0 -58.64 -53.65 55.97 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.014 -0.539 . . . . 0.0 110.726 177.915 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 1.6 p30 -69.78 -20.37 63.48 Favored 'General case' 0 N--CA 1.465 0.292 0 C-N-CA 120.994 -0.283 . . . . 0.0 110.952 -179.931 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 36.7 ttt180 -76.73 -22.36 53.96 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 121.203 0.525 . . . . 0.0 110.015 175.959 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 104.75 -8.1 46.31 Favored Glycine 0 N--CA 1.447 -0.589 0 CA-C-N 115.781 -0.645 . . . . 0.0 112.571 177.77 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -89.18 107.38 19.02 Favored 'General case' 0 C--N 1.326 -0.413 0 CA-C-O 120.874 0.369 . . . . 0.0 110.942 -176.546 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 68' ' ' MET . . . . . 0.794 ' HE1' ' HA ' ' A' ' 68' ' ' MET . 3.2 mmt -85.63 -47.7 9.58 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.817 -178.002 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 18.7 tt0 -62.48 -45.31 93.62 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.054 -0.521 . . . . 0.0 110.445 -179.602 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 70' ' ' ARG . . . . . 0.633 ' HD3' ' SD ' ' A' ' 33' ' ' MET . 55.4 mtt180 -73.7 -14.5 61.15 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-N 115.815 -0.629 . . . . 0.0 111.205 -177.642 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -70.44 -42.99 70.82 Favored 'General case' 0 C--O 1.233 0.218 0 N-CA-C 109.434 -0.58 . . . . 0.0 109.434 172.09 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 72' ' ' ASN . . . . . . . . . . . . . 9.9 t30 -66.5 -36.15 82.01 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 115.787 -0.642 . . . . 0.0 109.926 174.496 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 73' ' ' LYS . . . . . 0.529 ' HB2' ' HA ' ' A' ' 70' ' ' ARG . 46.8 mttp -59.37 -37.09 77.02 Favored 'General case' 0 C--N 1.333 -0.152 0 CA-C-N 116.115 -0.493 . . . . 0.0 111.228 176.214 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -63.38 -55.85 21.11 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-O 120.96 0.41 . . . . 0.0 110.004 176.373 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 63.5 ttt180 -50.71 -50.97 53.98 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 114.935 -1.029 . . . . 0.0 111.534 179.039 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 33.5 ttt85 -63.21 -48.94 76.19 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 115.744 -0.662 . . . . 0.0 111.864 -177.535 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 77' ' ' ARG . . . . . 0.511 ' O ' HG22 ' A' ' 81' ' ' VAL . 73.6 mtm180 -63.38 -49.13 75.03 Favored 'General case' 0 CA--C 1.518 -0.287 0 C-N-CA 121.226 -0.19 . . . . 0.0 111.398 -177.693 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 78' ' ' CYS . . . . . . . . . . . . . 74.5 m -55.6 -42.57 75.02 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-O 120.745 0.307 . . . . 0.0 110.245 179.159 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . -57.95 -39.89 92.46 Favored Glycine 0 N--CA 1.448 -0.533 0 CA-C-N 115.968 -0.56 . . . . 0.0 112.585 177.558 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 33.0 tt0 -76.47 -30.85 57.46 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.916 0.358 . . . . 0.0 110.722 179.498 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 81' ' ' VAL . . . . . 0.511 HG22 ' O ' ' A' ' 77' ' ' ARG . 93.0 t -62.3 -44.12 98.8 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 N-CA-C 109.65 -0.5 . . . . 0.0 109.65 173.764 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 82' ' ' PHE . . . . . 0.545 ' O ' HG13 ' A' ' 86' ' ' ILE . 41.0 m-85 -59.02 -48.03 83.08 Favored 'General case' 0 C--N 1.332 -0.192 0 CA-C-N 115.812 -0.631 . . . . 0.0 109.933 172.865 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 83' ' ' ARG . . . . . 0.437 ' O ' HG23 ' A' ' 87' ' ' VAL . 56.6 ttt180 -54.5 -51.38 65.28 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 115.537 -0.756 . . . . 0.0 110.871 177.578 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 84' ' ' TYR . . . . . . . . . . . . . 56.8 t80 -54.75 -43.64 72.91 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 115.752 -0.658 . . . . 0.0 110.464 178.944 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 85' ' ' ALA . . . . . 0.424 ' HB3' HD11 ' A' ' 47' ' ' ILE . . . -66.43 -39.69 89.08 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-N 116.069 -0.514 . . . . 0.0 111.337 179.716 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 86' ' ' ILE . . . . . 0.572 ' HA ' ' O ' ' A' ' 91' ' ' ALA . 67.6 mt -63.6 -39.97 87.32 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.355 0 CA-C-O 121.124 0.488 . . . . 0.0 110.568 178.676 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 87' ' ' VAL . . . . . 0.437 HG23 ' O ' ' A' ' 83' ' ' ARG . 63.9 t -69.94 -36.98 71.53 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.432 0 CA-C-N 115.962 -0.563 . . . . 0.0 111.08 178.755 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 88' ' ' THR . . . . . . . . . . . . . 20.6 p -83.66 -7.14 59.56 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 116.288 -0.415 . . . . 0.0 111.534 -178.163 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . 85.15 24.58 43.69 Favored Glycine 0 CA--C 1.519 0.332 0 C-N-CA 120.776 -0.726 . . . . 0.0 113.336 176.669 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 56.5 mtm180 -109.11 -4.34 16.67 Favored 'General case' 0 C--N 1.323 -0.587 0 CA-C-O 120.991 0.424 . . . . 0.0 110.764 178.574 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 91' ' ' ALA . . . . . 0.572 ' O ' ' HA ' ' A' ' 86' ' ' ILE . . . -149.38 165.11 33.03 Favored 'General case' 0 C--N 1.326 -0.418 0 N-CA-C 109.042 -0.725 . . . . 0.0 109.042 174.586 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 99.3 mttt -132.11 -12.81 3.2 Favored 'General case' 0 C--N 1.327 -0.409 0 N-CA-C 112.469 0.544 . . . . 0.0 112.469 -177.996 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 93' ' ' TYR . . . . . . . . . . . . . 18.1 p90 -146.41 163.45 35.6 Favored 'General case' 0 C--N 1.325 -0.474 0 C-N-CA 120.713 -0.395 . . . . 0.0 110.539 178.873 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 94' ' ' ASN . . . . . . . . . . . . . 6.4 m120 -108.37 134.52 20.19 Favored Pre-proline 0 C--N 1.325 -0.485 0 N-CA-C 109.497 -0.557 . . . . 0.0 109.497 175.583 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 95' ' ' PRO . . . . . . . . . . . . . 4.6 Cg_exo -77.45 11.85 2.03 Favored 'Trans proline' 0 N--CA 1.462 -0.348 0 C-N-CA 122.689 2.26 . . . . 0.0 111.38 169.919 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 96' ' ' ALA . . . . . 0.556 ' N ' ' HD2' ' A' ' 97' ' ' PRO . . . -61.71 -47.43 92.3 Favored Pre-proline 0 CA--C 1.538 0.505 0 CA-C-N 115.923 -0.58 . . . . 0.0 112.484 -178.594 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 97' ' ' PRO . . . . . 0.556 ' HD2' ' N ' ' A' ' 96' ' ' ALA . 9.5 Cg_endo -53.84 -49.5 16.98 Favored 'Trans proline' 0 C--N 1.357 0.981 0 C-N-CA 122.254 1.969 . . . . 0.0 111.839 174.925 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 3.1 m-20 -68.71 -28.45 66.85 Favored 'General case' 0 C--N 1.326 -0.413 0 CA-C-N 115.478 -0.783 . . . . 0.0 111.007 -179.214 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 99' ' ' LEU . . . . . . . . . . . . . 3.2 tm? -58.58 -45.94 87.99 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-O 120.979 0.418 . . . . 0.0 109.884 176.092 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 100' ' ' ALA . . . . . . . . . . . . . . . -66.18 -38.88 89.09 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 115.806 -0.634 . . . . 0.0 110.711 179.585 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 31.6 t70 -69.25 -40.99 77.54 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 115.991 -0.55 . . . . 0.0 110.794 179.097 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -65.25 -35.44 81.04 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.665 178.599 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 103' ' ' MET . . . . . 0.5 ' HE2' HG23 ' A' ' 59' ' ' ILE . 50.7 ttm -60.49 -38.9 85.78 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-O 121.241 0.543 . . . . 0.0 109.784 175.769 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 104' ' ' LYS . . . . . . . . . . . . . 82.2 tttt -73.12 -47.34 45.05 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 115.018 -0.992 . . . . 0.0 110.89 177.356 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 105' ' ' GLY . . . . . . . . . . . . . . . -67.33 -29.87 74.73 Favored Glycine 0 C--O 1.228 -0.224 0 CA-C-N 115.939 -0.573 . . . . 0.0 113.193 -177.176 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 106' ' ' TYR . . . . . . . . . . . . . 6.9 t80 -69.92 -16.12 63.17 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-O 121.013 0.435 . . . . 0.0 110.418 -179.759 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 107' ' ' ARG . . . . . 0.437 HH11 ' HD3' ' A' ' 107' ' ' ARG . 36.2 ttt180 -74.91 -10.19 59.25 Favored 'General case' 0 CA--C 1.533 0.301 0 CA-C-N 116.057 -0.52 . . . . 0.0 110.516 179.291 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 108' ' ' LYS . . . . . . . . . . . . . 93.0 mttt -72.14 -22.36 61.33 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.084 176.561 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 109' ' ' LYS . . . . . . . . . . . . . 68.2 mttm -86.13 140.46 30.19 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-N 115.833 -0.621 . . . . 0.0 110.574 -179.825 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 110' ' ' ASN . . . . . . . . . . . . . 13.6 m120 -114.29 126.95 55.6 Favored 'General case' 0 C--N 1.319 -0.741 0 N-CA-C 109.462 -0.57 . . . . 0.0 109.462 175.445 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 111' ' ' LEU . . . . . . . . . . . . . 63.2 tp -63.15 -44.13 96.39 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.831 -178.224 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 112' ' ' GLU . . . . . . . . . . . . . 42.4 mt-10 -79.64 92.35 5.35 Favored 'General case' 0 N--CA 1.449 -0.49 0 CA-C-O 121.193 0.521 . . . . 0.0 111.016 -179.275 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 113' ' ' HIS . . . . . . . . . . . . . 90.8 m-70 -83.6 139.8 32.62 Favored 'General case' 0 C--N 1.322 -0.601 0 N-CA-C 109.096 -0.705 . . . . 0.0 109.096 174.073 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 114' ' ' HIS . . . . . . . . . . . . . 88.8 m-70 64.38 66.22 0.62 Allowed 'General case' 0 N--CA 1.465 0.292 0 O-C-N 123.771 0.669 . . . . 0.0 110.149 -172.482 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 115' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -65.83 -42.07 91.02 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 115.815 -0.629 . . . . 0.0 111.001 179.989 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 116' ' ' HIS . . . . . . . . . . . . . 76.0 m-70 -117.9 165.14 14.05 Favored 'General case' 0 C--N 1.323 -0.552 0 CA-C-N 116.067 -0.515 . . . . 0.0 110.046 179.552 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 117' ' ' HIS . . . . . . . . . . . . . 35.8 m80 -78.57 -41.68 31.25 Favored 'General case' 0 C--N 1.324 -0.533 0 N-CA-C 109.354 -0.61 . . . . 0.0 109.354 175.837 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 118' ' ' HIS . . . . . . . . . . . . . 85.0 t60 . . . . . 0 C--O 1.248 1.014 0 CA-C-O 118.376 -0.821 . . . . 0.0 109.204 174.984 . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 35.0 m . . . . . 0 N--CA 1.477 0.908 0 N-CA-C 110.124 -0.325 . . . . 0.0 110.124 . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 19.6 t -67.09 112.8 4.61 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 116.513 -0.312 . . . . 0.0 110.172 179.417 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 3' ' ' ASN . . . . . . . . . . . . . 14.4 m120 63.73 89.84 0.09 Allowed 'General case' 0 N--CA 1.464 0.258 0 O-C-N 123.826 0.703 . . . . 0.0 110.65 179.625 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 4' ' ' ASN . . . . . 0.407 HD21 ' HA ' ' A' ' 4' ' ' ASN . 0.7 OUTLIER -98.48 -2.25 39.37 Favored 'General case' 0 C--N 1.323 -0.554 0 CA-C-N 116.319 -0.401 . . . . 0.0 111.59 -177.19 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 81.0 m-20 -100.54 10.82 40.66 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 116.389 -0.368 . . . . 0.0 110.4 176.609 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 6' ' ' SER . . . . . 0.58 ' HA ' ' HA ' ' A' ' 46' ' ' GLU . 21.8 m -61.47 140.75 58.02 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.003 -0.544 . . . . 0.0 110.519 177.642 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 7' ' ' PHE . . . . . . . . . . . . . 55.5 t80 -58.2 -45.9 86.8 Favored 'General case' 0 C--N 1.329 -0.309 0 N-CA-C 109.754 -0.462 . . . . 0.0 109.754 178.994 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 5.6 p -54.98 -40.61 70.24 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.358 -0.383 . . . . 0.0 111.564 177.0 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -65.04 -51.92 58.78 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.438 -0.346 . . . . 0.0 111.101 -179.131 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 81.0 mt -68.04 -36.84 76.94 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.256 0 CA-C-O 120.847 0.356 . . . . 0.0 110.451 -179.875 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 11' ' ' TYR . . . . . 0.571 ' OH ' ' HA ' ' A' ' 31' ' ' ALA . 55.9 t80 -61.47 -43.55 98.66 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.808 176.272 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 56.1 tptt -58.3 -44.55 88.58 Favored 'General case' 0 C--O 1.235 0.323 0 CA-C-O 121.058 0.456 . . . . 0.0 110.304 178.515 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 44.8 tt0 -64.28 -50.73 66.74 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 115.705 -0.68 . . . . 0.0 110.284 178.28 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 14' ' ' TRP . . . . . . . . . . . . . 66.6 t90 -58.82 -43.97 90.77 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 115.566 -0.743 . . . . 0.0 111.198 179.573 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 15' ' ' TYR . . . . . 0.57 ' CE1' ' HB1' ' A' ' 31' ' ' ALA . 29.1 t80 -56.42 -60.31 3.71 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.318 -0.401 . . . . 0.0 111.38 -179.575 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 44.0 mt-10 -66.19 -25.21 66.83 Favored 'General case' 0 C--N 1.329 -0.304 0 C-N-CA 121.109 -0.236 . . . . 0.0 111.274 -175.075 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 17' ' ' HIS . . . . . . . . . . . . . 47.8 t60 -70.14 -50.16 43.27 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.883 0.373 . . . . 0.0 110.246 175.684 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 14.4 mmmm -74.17 -21.25 59.92 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.86 0.362 . . . . 0.0 110.711 -179.793 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 47.8 tttm -65.54 -22.26 66.69 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 115.972 -0.558 . . . . 0.0 110.634 176.79 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 96.1 mt-30 -88.74 5.22 44.45 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-O 121.334 0.588 . . . . 0.0 110.141 177.483 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 46.7 t -117.19 -41.56 2.75 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.377 0 CA-C-N 115.401 -0.818 . . . . 0.0 109.948 177.81 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 22' ' ' TRP . . . . . . . . . . . . . 29.2 m0 -82.61 -173.28 4.53 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 115.856 -0.611 . . . . 0.0 110.775 178.673 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 13.1 m -96.46 159.37 14.98 Favored 'General case' 0 C--N 1.323 -0.549 0 N-CA-C 109.033 -0.728 . . . . 0.0 109.033 173.873 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 14.9 p -63.5 -45.62 97.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 N-CA-C 111.936 0.347 . . . . 0.0 111.936 -172.258 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -64.2 -49.01 69.1 Favored Glycine 0 C--N 1.332 0.328 0 C-N-CA 120.743 -0.742 . . . . 0.0 112.076 -179.228 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 26' ' ' TYR . . . . . . . . . . . . . 88.4 t80 -57.47 -44.73 85.08 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-O 120.787 0.327 . . . . 0.0 110.735 178.172 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -65.11 -41.82 94.53 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.364 -0.38 . . . . 0.0 110.887 -179.522 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 53.0 m -64.34 -43.99 92.87 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.357 -0.383 . . . . 0.0 111.061 -179.604 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 49.5 mt-10 -62.95 -46.03 89.67 Favored 'General case' 0 C--O 1.233 0.218 0 CA-C-O 120.715 0.293 . . . . 0.0 111.0 179.126 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 9.7 tt -62.42 -40.7 97.4 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.038 -0.528 . . . . 0.0 110.411 179.054 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 31' ' ' ALA . . . . . 0.571 ' HA ' ' OH ' ' A' ' 11' ' ' TYR . . . -64.0 -47.03 81.95 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 115.841 -0.618 . . . . 0.0 111.615 -178.965 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 54.6 tttp -66.94 -29.93 69.93 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-O 120.816 0.341 . . . . 0.0 110.747 -179.255 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 33' ' ' MET . . . . . 0.43 ' SD ' ' HD2' ' A' ' 70' ' ' ARG . 58.0 ttp -59.21 -44.34 92.27 Favored 'General case' 0 C--N 1.329 -0.326 0 N-CA-C 109.701 -0.481 . . . . 0.0 109.701 174.439 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 34' ' ' PHE . . . . . 0.514 ' CD2' HD11 ' A' ' 38' ' ' ILE . 16.5 m-85 -67.24 -38.63 85.52 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 115.74 -0.664 . . . . 0.0 110.919 176.249 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 35' ' ' ASP . . . . . 0.535 ' HA ' ' HB2' ' A' ' 39' ' ' LEU . 21.2 m-20 -60.38 -63.52 1.27 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.737 0.303 . . . . 0.0 111.122 178.749 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 1.4 m-20 -61.42 -50.32 73.3 Favored 'General case' 0 C--N 1.325 -0.487 0 N-CA-C 113.168 0.803 . . . . 0.0 113.168 -171.306 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 20.1 m-20 -93.38 -28.04 16.4 Favored 'General case' 0 C--N 1.324 -0.528 0 N-CA-C 112.661 0.615 . . . . 0.0 112.661 -171.525 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 38' ' ' ILE . . . . . 0.515 HG12 HG12 ' A' ' 58' ' ' VAL . 9.9 mt -106.49 -37.89 4.06 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 N-CA-C 112.717 0.636 . . . . 0.0 112.717 -169.178 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 39' ' ' LEU . . . . . 0.535 ' HB2' ' HA ' ' A' ' 35' ' ' ASP . 0.4 OUTLIER -62.56 -47.71 87.91 Favored Pre-proline 0 CA--C 1.541 0.608 0 N-CA-C 112.375 0.509 . . . . 0.0 112.375 -172.865 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 40' ' ' PRO . . . . . 0.471 ' HD2' ' N ' ' A' ' 39' ' ' LEU . 42.4 Cg_endo -67.48 -7.49 19.35 Favored 'Trans proline' 0 C--N 1.354 0.848 0 C-N-CA 121.743 1.628 . . . . 0.0 112.662 179.284 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 41' ' ' ILE . . . . . 0.531 HG22 HG23 ' A' ' 42' ' ' ILE . 44.0 mm -97.36 -66.49 1.04 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.429 0 CA-C-N 116.307 -0.406 . . . . 0.0 110.667 -179.918 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 42' ' ' ILE . . . . . 0.531 HG23 HG22 ' A' ' 41' ' ' ILE . 10.5 pt -118.42 3.79 7.14 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.224 0 N-CA-C 112.471 0.545 . . . . 0.0 112.471 -174.752 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -57.12 -38.22 84.57 Favored Glycine 0 C--O 1.235 0.184 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.997 -175.223 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -92.47 10.33 74.35 Favored Glycine 0 N--CA 1.447 -0.603 0 C-N-CA 120.799 -0.715 . . . . 0.0 112.722 -177.757 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 45' ' ' LEU . . . . . 0.488 HD13 ' HA ' ' A' ' 42' ' ' ILE . 85.3 mt -98.1 150.51 21.36 Favored 'General case' 0 C--N 1.325 -0.462 0 N-CA-C 110.121 -0.326 . . . . 0.0 110.121 179.578 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 46' ' ' GLU . . . . . 0.58 ' HA ' ' HA ' ' A' ' 6' ' ' SER . 32.3 mt-10 -86.32 145.32 26.96 Favored 'General case' 0 C--N 1.319 -0.728 0 CA-C-O 121.036 0.446 . . . . 0.0 110.465 177.443 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 14.7 tt -60.22 -23.78 28.64 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.615 0 CA-C-N 115.267 -0.879 . . . . 0.0 112.688 -167.855 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 72.7 mt-30 -88.6 -18.41 28.08 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.94 0.4 . . . . 0.0 110.824 178.729 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 38.6 t70 -100.82 -19.14 16.09 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 116.004 -0.544 . . . . 0.0 111.754 -168.575 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 50' ' ' ILE . . . . . 0.458 HG13 ' O ' ' A' ' 46' ' ' GLU . 67.7 mt -56.27 130.48 18.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-O 121.064 0.459 . . . . 0.0 111.711 -177.597 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 42.6 mt-10 -86.41 152.47 55.04 Favored Pre-proline 0 C--N 1.325 -0.469 0 CA-C-N 115.701 -0.681 . . . . 0.0 110.682 178.962 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 52' ' ' PRO . . . . . . . . . . . . . 19.5 Cg_endo -59.85 -31.99 94.68 Favored 'Trans proline' 0 C--N 1.344 0.305 0 C-N-CA 122.602 2.201 . . . . 0.0 111.441 176.01 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 53' ' ' MET . . . . . . . . . . . . . 87.7 mtp -62.39 -41.54 98.73 Favored 'General case' 0 C--O 1.225 -0.19 0 CA-C-N 116.017 -0.538 . . . . 0.0 110.847 178.352 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 54' ' ' GLN . . . . . 0.404 ' HB3' HG21 ' A' ' 42' ' ' ILE . 63.1 mt-30 -73.92 -39.54 63.75 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 115.967 -0.56 . . . . 0.0 111.347 -176.788 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 55' ' ' LEU . . . . . 0.465 HD23 ' HB2' ' A' ' 99' ' ' LEU . 19.8 tp -67.32 -35.12 78.79 Favored 'General case' 0 C--N 1.321 -0.642 0 CA-C-O 121.208 0.527 . . . . 0.0 109.817 178.913 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 2.6 tm? -75.38 -32.77 60.91 Favored 'General case' 0 C--N 1.329 -0.319 0 N-CA-C 109.577 -0.527 . . . . 0.0 109.577 176.69 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 46.2 tt0 -58.25 -39.82 80.17 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 115.801 -0.636 . . . . 0.0 109.835 174.148 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 58' ' ' VAL . . . . . 0.515 HG12 HG12 ' A' ' 38' ' ' ILE . 54.1 t -56.73 -54.59 27.34 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.39 0 CA-C-N 115.428 -0.805 . . . . 0.0 110.705 173.397 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 59' ' ' ILE . . . . . 0.43 HG22 ' HB1' ' A' ' 71' ' ' ALA . 1.7 mp -59.44 -39.49 79.3 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.417 0 CA-C-N 116.001 -0.545 . . . . 0.0 110.914 179.647 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 25.5 mtm180 -67.31 -29.68 69.32 Favored 'General case' 0 CA--C 1.517 -0.322 0 C-N-CA 121.185 -0.206 . . . . 0.0 111.428 177.028 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 61' ' ' ARG . . . . . 0.431 ' HA ' ' HD2' ' A' ' 61' ' ' ARG . 18.1 tpt85 -60.09 -37.88 81.25 Favored 'General case' 0 C--N 1.326 -0.42 0 N-CA-C 109.322 -0.621 . . . . 0.0 109.322 176.757 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 62' ' ' PHE . . . . . . . . . . . . . 84.8 m-85 -68.0 -39.86 83.16 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 115.661 -0.699 . . . . 0.0 110.794 173.538 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 63' ' ' GLU . . . . . 0.447 ' HG2' ' HE2' ' A' ' 68' ' ' MET . 23.6 mt-10 -62.74 -43.19 99.44 Favored 'General case' 0 N--CA 1.462 0.171 0 CA-C-N 116.5 -0.318 . . . . 0.0 111.054 178.742 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -48.04 -42.75 29.17 Favored 'General case' 0 N--CA 1.465 0.297 0 CA-C-N 115.979 -0.555 . . . . 0.0 111.44 174.115 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 40.1 mtm105 -81.15 -29.27 34.75 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 116.426 -0.352 . . . . 0.0 111.339 179.901 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 107.98 21.91 7.52 Favored Glycine 0 N--CA 1.451 -0.347 0 C-N-CA 120.842 -0.694 . . . . 0.0 112.756 178.464 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -97.01 100.94 12.43 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 122.52 -0.4 . . . . 0.0 110.467 179.101 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 68' ' ' MET . . . . . 0.926 ' HE1' ' HA ' ' A' ' 68' ' ' MET . 9.0 mmt -81.13 -57.26 3.6 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-O 120.596 0.236 . . . . 0.0 111.436 -177.708 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 25.4 tt0 -60.53 -42.38 96.36 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-N 116.383 -0.371 . . . . 0.0 110.91 -178.065 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 70' ' ' ARG . . . . . 0.561 ' HA ' ' HB2' ' A' ' 73' ' ' LYS . 28.6 mtm180 -74.73 -15.74 60.76 Favored 'General case' 0 C--N 1.329 -0.302 0 C-N-CA 120.734 -0.386 . . . . 0.0 111.825 -178.823 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 71' ' ' ALA . . . . . 0.43 ' HB1' HG22 ' A' ' 59' ' ' ILE . . . -70.65 -39.61 73.51 Favored 'General case' 0 C--N 1.33 -0.281 0 N-CA-C 109.391 -0.596 . . . . 0.0 109.391 171.917 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 72' ' ' ASN . . . . . . . . . . . . . 58.0 t30 -73.07 -37.43 66.8 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 115.662 -0.699 . . . . 0.0 109.882 176.343 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 73' ' ' LYS . . . . . 0.561 ' HB2' ' HA ' ' A' ' 70' ' ' ARG . 41.8 mttp -58.77 -40.74 84.82 Favored 'General case' 0 N--CA 1.462 0.15 0 CA-C-N 116.315 -0.402 . . . . 0.0 110.691 174.843 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -56.82 -54.14 49.81 Favored 'General case' 0 CA--C 1.519 -0.225 0 N-CA-C 110.204 -0.295 . . . . 0.0 110.204 176.951 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 57.5 ttt180 -54.13 -49.04 70.1 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 115.906 -0.588 . . . . 0.0 111.123 176.882 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 60.3 ttt180 -61.05 -48.19 82.9 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 115.781 -0.645 . . . . 0.0 111.384 -176.604 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 77' ' ' ARG . . . . . 0.411 ' O ' HG21 ' A' ' 81' ' ' VAL . 9.9 mmp_? -68.96 -38.46 79.42 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.976 -178.673 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 78' ' ' CYS . . . . . . . . . . . . . 81.5 m -64.04 -40.09 95.54 Favored 'General case' 0 C--N 1.332 -0.157 0 N-CA-C 109.992 -0.373 . . . . 0.0 109.992 176.503 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . -57.7 -34.43 70.4 Favored Glycine 0 N--CA 1.449 -0.448 0 C-N-CA 121.216 -0.516 . . . . 0.0 111.821 175.094 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 42.1 tt0 -70.45 -38.03 74.42 Favored 'General case' 0 C--N 1.33 -0.271 0 N-CA-C 110.055 -0.35 . . . . 0.0 110.055 176.608 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 81' ' ' VAL . . . . . 0.411 HG21 ' O ' ' A' ' 77' ' ' ARG . 61.6 t -60.82 -45.58 97.73 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.247 0 N-CA-C 109.952 -0.388 . . . . 0.0 109.952 175.353 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 82' ' ' PHE . . . . . 0.508 ' O ' HG13 ' A' ' 86' ' ' ILE . 60.1 m-85 -60.12 -45.39 93.15 Favored 'General case' 0 C--N 1.332 -0.179 0 CA-C-N 116.028 -0.533 . . . . 0.0 110.167 174.725 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 83' ' ' ARG . . . . . 0.481 ' O ' HG22 ' A' ' 87' ' ' VAL . 22.7 ttt180 -59.7 -45.12 93.09 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 115.876 -0.602 . . . . 0.0 110.815 178.577 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 84' ' ' TYR . . . . . . . . . . . . . 27.6 t80 -58.89 -38.77 79.62 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 115.949 -0.569 . . . . 0.0 109.86 177.901 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -69.53 -34.3 74.04 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 115.766 -0.652 . . . . 0.0 111.014 178.339 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 86' ' ' ILE . . . . . 0.508 HG13 ' O ' ' A' ' 82' ' ' PHE . 77.5 mt -66.57 -43.8 90.41 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 CA-C-O 120.966 0.412 . . . . 0.0 109.983 175.698 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 87' ' ' VAL . . . . . 0.481 HG22 ' O ' ' A' ' 83' ' ' ARG . 98.4 t -61.89 -48.85 86.68 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 115.721 -0.672 . . . . 0.0 110.669 177.544 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 88' ' ' THR . . . . . . . . . . . . . 18.2 p -69.33 -20.34 63.87 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.147 179.671 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . 89.03 27.05 24.66 Favored Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 120.955 -0.64 . . . . 0.0 113.051 176.781 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 64.9 mtt180 -98.62 -28.77 13.4 Favored 'General case' 0 C--N 1.322 -0.608 0 CA-C-O 121.064 0.459 . . . . 0.0 110.628 179.344 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . -120.25 115.81 24.34 Favored 'General case' 0 C--N 1.321 -0.641 0 CA-C-N 116.325 -0.398 . . . . 0.0 110.435 179.775 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 49.8 tttm -83.63 -21.78 32.4 Favored 'General case' 0 C--N 1.324 -0.543 0 CA-C-O 121.231 0.539 . . . . 0.0 109.927 -179.704 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 93' ' ' TYR . . . . . . . . . . . . . 90.2 t80 -147.08 142.38 27.35 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-N 115.473 -0.785 . . . . 0.0 109.562 179.288 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 94' ' ' ASN . . . . . . . . . . . . . 24.6 p-10 -120.27 132.47 24.1 Favored Pre-proline 0 C--N 1.322 -0.593 0 CA-C-O 120.858 0.361 . . . . 0.0 110.181 178.095 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 95' ' ' PRO . . . . . . . . . . . . . 69.1 Cg_endo -76.62 33.47 0.42 Allowed 'Trans proline' 0 CA--C 1.532 0.377 0 C-N-CA 122.827 2.351 . . . . 0.0 112.812 -179.212 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 96' ' ' ALA . . . . . 0.521 ' N ' ' HD2' ' A' ' 97' ' ' PRO . . . -67.38 -47.37 48.52 Favored Pre-proline 0 CA--C 1.537 0.469 0 CA-C-N 116.345 -0.389 . . . . 0.0 111.802 179.674 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 97' ' ' PRO . . . . . 0.521 ' HD2' ' N ' ' A' ' 96' ' ' ALA . 28.5 Cg_endo -64.12 -33.23 62.06 Favored 'Trans proline' 0 C--N 1.356 0.928 0 C-N-CA 121.871 1.714 . . . . 0.0 111.832 174.654 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 6.5 m-20 -68.67 -39.12 80.74 Favored 'General case' 0 C--N 1.326 -0.413 0 CA-C-N 115.99 -0.55 . . . . 0.0 109.943 178.497 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 99' ' ' LEU . . . . . 0.465 ' HB2' HD23 ' A' ' 55' ' ' LEU . 2.9 tm? -57.98 -43.98 86.84 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 115.337 -0.847 . . . . 0.0 109.592 172.906 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 100' ' ' ALA . . . . . 0.583 ' O ' ' HG3' ' A' ' 104' ' ' LYS . . . -58.96 -44.36 91.45 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 115.746 -0.661 . . . . 0.0 110.713 178.63 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 101' ' ' ASP . . . . . 0.706 ' HA ' ' HD2' ' A' ' 104' ' ' LYS . 0.4 OUTLIER -64.16 -33.22 75.3 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.325 -0.398 . . . . 0.0 111.759 179.84 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -69.3 -30.5 68.6 Favored 'General case' 0 C--N 1.324 -0.531 0 CA-C-O 121.241 0.543 . . . . 0.0 110.283 176.638 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 103' ' ' MET . . . . . . . . . . . . . 54.1 ttm -78.16 -23.23 47.77 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-N 115.683 -0.689 . . . . 0.0 110.393 177.552 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 104' ' ' LYS . . . . . 0.706 ' HD2' ' HA ' ' A' ' 101' ' ' ASP . 79.1 mttt -78.04 -48.97 14.92 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 121.321 0.582 . . . . 0.0 110.335 177.557 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 105' ' ' GLY . . . . . . . . . . . . . . . -129.56 77.49 0.39 Allowed Glycine 0 N--CA 1.445 -0.728 0 CA-C-N 115.459 -0.791 . . . . 0.0 111.604 -179.918 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 106' ' ' TYR . . . . . . . . . . . . . 67.4 m-85 -50.07 -72.21 0.05 Allowed 'General case' 0 N--CA 1.465 0.297 0 CA-C-O 121.352 0.596 . . . . 0.0 111.943 -177.076 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 107' ' ' ARG . . . . . . . . . . . . . 45.6 mtm180 -106.29 19.93 19.75 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 115.826 -0.625 . . . . 0.0 110.633 -175.18 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 108' ' ' LYS . . . . . . . . . . . . . 68.7 mttm -84.19 -17.8 38.75 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-N 116.001 -0.545 . . . . 0.0 110.449 -179.783 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 109' ' ' LYS . . . . . . . . . . . . . 32.8 mtmm -121.89 130.0 53.01 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.485 -177.889 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 110' ' ' ASN . . . . . . . . . . . . . 41.9 m-80 -91.39 98.97 12.02 Favored 'General case' 0 C--N 1.321 -0.637 0 N-CA-C 108.908 -0.775 . . . . 0.0 108.908 175.066 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 111' ' ' LEU . . . . . . . . . . . . . 70.4 mt -80.3 55.8 2.33 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 115.893 -0.594 . . . . 0.0 112.182 -171.422 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 112' ' ' GLU . . . . . . . . . . . . . 9.3 mm-40 64.57 -91.05 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 114.803 -1.09 . . . . 0.0 113.132 172.553 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 113' ' ' HIS . . . . . . . . . . . . . 53.6 t60 -101.86 134.96 44.22 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-O 121.196 0.522 . . . . 0.0 111.168 -172.687 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 114' ' ' HIS . . . . . . . . . . . . . 72.8 m80 -82.62 99.3 9.48 Favored 'General case' 0 C--N 1.323 -0.552 0 CA-C-N 115.791 -0.64 . . . . 0.0 110.789 -179.225 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 115' ' ' HIS . . . . . . . . . . . . . 20.0 m170 -79.59 125.68 29.91 Favored 'General case' 0 C--N 1.323 -0.572 0 N-CA-C 109.719 -0.475 . . . . 0.0 109.719 174.329 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 116' ' ' HIS . . . . . . . . . . . . . 48.9 m80 -111.86 149.85 31.23 Favored 'General case' 0 C--N 1.321 -0.64 0 CA-C-O 121.061 0.458 . . . . 0.0 111.148 -174.07 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 117' ' ' HIS . . . . . . . . . . . . . 78.7 m-70 -92.59 4.35 53.77 Favored 'General case' 0 C--N 1.329 -0.299 0 N-CA-C 108.468 -0.938 . . . . 0.0 108.468 167.773 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 118' ' ' HIS . . . . . . . . . . . . . 30.8 t60 . . . . . 0 C--O 1.243 0.734 0 CA-C-N 114.339 -1.3 . . . . 0.0 108.594 -178.975 . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 23.5 m . . . . . 0 N--CA 1.476 0.844 0 N-CA-C 110.259 -0.274 . . . . 0.0 110.259 . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 19.2 m -58.79 134.88 57.25 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-O 121.049 0.452 . . . . 0.0 111.241 179.899 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 3' ' ' ASN . . . . . . . . . . . . . 11.4 m120 -76.4 -17.0 59.58 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 115.627 -0.715 . . . . 0.0 111.286 -173.648 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 4' ' ' ASN . . . . . . . . . . . . . 5.5 m120 -71.89 -5.51 35.08 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 116.411 -0.359 . . . . 0.0 111.248 178.203 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 85.4 m-20 63.19 28.58 15.94 Favored 'General case' 0 N--CA 1.465 0.285 0 CA-C-O 121.175 0.512 . . . . 0.0 110.175 179.327 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 1.6 m -58.37 140.45 53.59 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-N 115.518 -0.765 . . . . 0.0 110.462 178.629 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 7' ' ' PHE . . . . . . . . . . . . . 51.8 t80 -53.25 -48.8 67.94 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.5 -0.318 . . . . 0.0 110.698 -178.98 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 59.3 m -57.23 -32.58 66.69 Favored 'General case' 0 N--CA 1.464 0.253 0 N-CA-C 112.048 0.388 . . . . 0.0 112.048 -179.254 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -69.55 -50.4 45.23 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-O 121.312 0.577 . . . . 0.0 111.239 -176.811 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 10' ' ' ILE . . . . . 0.488 HG21 ' HB3' ' A' ' 85' ' ' ALA . 68.9 mt -74.62 -35.64 38.44 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.619 0 CA-C-N 115.657 -0.701 . . . . 0.0 110.174 -178.841 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 6.4 t80 -58.91 -42.3 89.28 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 115.839 -0.619 . . . . 0.0 110.322 172.363 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 23.1 tptm -55.47 -47.71 75.68 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.291 -0.413 . . . . 0.0 110.491 176.831 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 11.0 tp10 -66.65 -42.65 86.33 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 115.832 -0.622 . . . . 0.0 110.46 -177.679 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 14' ' ' TRP . . . . . 0.623 ' HH2' ' HD3' ' A' ' 77' ' ' ARG . 67.1 t90 -63.12 -47.94 80.65 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 115.589 -0.732 . . . . 0.0 110.688 177.549 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 15' ' ' TYR . . . . . 0.53 ' CE1' ' HB1' ' A' ' 31' ' ' ALA . 37.4 t80 -61.01 -47.64 85.51 Favored 'General case' 0 C--O 1.224 -0.273 0 CA-C-N 116.496 -0.32 . . . . 0.0 111.051 178.399 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 33.2 tt0 -61.03 -28.64 69.2 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 116.432 -0.349 . . . . 0.0 110.92 -176.086 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 17' ' ' HIS . . . . . . . . . . . . . 76.7 t60 -79.18 -45.69 19.41 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.847 0.356 . . . . 0.0 110.346 176.065 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 37.8 mmtm -66.64 -25.62 66.67 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 116.287 -0.415 . . . . 0.0 111.359 -179.863 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 60.4 tttm -60.47 -24.58 65.37 Favored 'General case' 0 C--N 1.323 -0.545 0 CA-C-N 115.697 -0.683 . . . . 0.0 110.941 178.868 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 96.9 mt-30 -73.66 -24.26 59.96 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.651 178.4 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 41.9 t -99.26 -42.04 10.34 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.398 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.108 -175.565 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 22' ' ' TRP . . . . . . . . . . . . . 41.3 m0 -75.95 155.82 34.75 Favored 'General case' 0 C--N 1.323 -0.548 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.175 -177.441 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 12.5 m -69.44 145.86 52.45 Favored 'General case' 0 C--N 1.324 -0.509 0 N-CA-C 108.966 -0.753 . . . . 0.0 108.966 172.5 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 47.8 t -57.33 -45.62 85.21 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.415 0 N-CA-C 112.194 0.442 . . . . 0.0 112.194 -172.4 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -58.86 -50.16 70.47 Favored Glycine 0 N--CA 1.45 -0.415 0 C-N-CA 120.671 -0.776 . . . . 0.0 112.025 177.945 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 26' ' ' TYR . . . . . . . . . . . . . 82.5 t80 -63.08 -42.96 99.75 Favored 'General case' 0 C--N 1.326 -0.429 0 C-N-CA 122.37 0.268 . . . . 0.0 111.075 177.968 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -62.95 -48.69 77.79 Favored 'General case' 0 C--N 1.332 -0.191 0 CA-C-O 120.82 0.343 . . . . 0.0 111.052 -177.08 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 20.0 m -66.27 -36.5 83.14 Favored 'General case' 0 C--N 1.323 -0.554 0 CA-C-N 116.303 -0.408 . . . . 0.0 110.873 -178.215 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 42.1 tt0 -68.93 -46.7 67.57 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.371 -0.377 . . . . 0.0 110.485 179.385 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 30' ' ' LEU . . . . . 0.825 ' HG ' ' HE3' ' A' ' 33' ' ' MET . 10.2 tt -59.83 -41.66 91.81 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 116.048 -0.524 . . . . 0.0 109.682 177.719 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 31' ' ' ALA . . . . . 0.53 ' HB1' ' CE1' ' A' ' 15' ' ' TYR . . . -66.85 -35.56 80.32 Favored 'General case' 0 C--N 1.322 -0.622 0 CA-C-N 115.896 -0.593 . . . . 0.0 111.549 -179.485 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 32' ' ' LYS . . . . . 0.487 ' HA ' ' HB3' ' A' ' 35' ' ' ASP . 17.6 tttm -85.82 -14.47 44.97 Favored 'General case' 0 N--CA 1.449 -0.513 0 C-N-CA 119.583 -0.847 . . . . 0.0 111.933 -176.121 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 33' ' ' MET . . . . . 0.825 ' HE3' ' HG ' ' A' ' 30' ' ' LEU . 24.2 ptt? -76.28 -31.5 58.28 Favored 'General case' 0 C--N 1.328 -0.351 0 N-CA-C 108.316 -0.994 . . . . 0.0 108.316 171.23 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 34' ' ' PHE . . . . . 0.458 ' CG ' HD11 ' A' ' 38' ' ' ILE . 9.3 m-85 -66.52 -41.39 88.87 Favored 'General case' 0 C--O 1.225 -0.225 0 CA-C-N 115.739 -0.664 . . . . 0.0 109.28 168.923 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 35' ' ' ASP . . . . . 0.601 ' HA ' ' HG ' ' A' ' 39' ' ' LEU . 27.9 t70 -58.22 -72.56 0.09 Allowed 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 115.311 -0.859 . . . . 0.0 111.301 177.881 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 6.3 m-20 -63.37 -32.24 73.61 Favored 'General case' 0 N--CA 1.466 0.368 0 N-CA-C 113.406 0.891 . . . . 0.0 113.406 -171.535 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 37' ' ' ASP . . . . . 0.477 ' HB3' ' HG2' ' A' ' 61' ' ' ARG . 14.7 m-20 -102.4 -44.75 5.29 Favored 'General case' 0 C--N 1.325 -0.498 0 C-N-CA 120.539 -0.464 . . . . 0.0 112.222 -173.158 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 38' ' ' ILE . . . . . 0.527 HG12 HG11 ' A' ' 58' ' ' VAL . 20.7 mt -89.64 -34.68 6.88 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 N-CA-C 112.651 0.612 . . . . 0.0 112.651 -170.376 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 39' ' ' LEU . . . . . 0.601 ' HG ' ' HA ' ' A' ' 35' ' ' ASP . 30.1 mt -64.81 -44.58 73.24 Favored Pre-proline 0 CA--C 1.535 0.379 0 N-CA-C 112.653 0.612 . . . . 0.0 112.653 -175.312 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 40' ' ' PRO . . . . . 0.42 ' HD3' ' HB2' ' A' ' 39' ' ' LEU . 31.2 Cg_exo -62.26 -14.7 39.96 Favored 'Trans proline' 0 C--N 1.353 0.808 0 C-N-CA 121.955 1.77 . . . . 0.0 112.508 174.864 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 41' ' ' ILE . . . . . 0.73 HG23 HG22 ' A' ' 42' ' ' ILE . 50.8 mm -95.07 -65.14 1.18 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.357 0 CA-C-N 116.561 -0.291 . . . . 0.0 111.323 -177.983 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 42' ' ' ILE . . . . . 0.73 HG22 HG23 ' A' ' 41' ' ' ILE . 17.2 pt -128.93 9.39 2.7 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.234 0 N-CA-C 111.734 0.272 . . . . 0.0 111.734 -176.14 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 43' ' ' GLY . . . . . 0.454 ' HA3' ' HA ' ' A' ' 39' ' ' LEU . . . -57.67 -39.12 90.65 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.773 -0.727 . . . . 0.0 112.754 -174.627 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -97.98 16.24 60.48 Favored Glycine 0 N--CA 1.445 -0.743 0 C-N-CA 120.548 -0.834 . . . . 0.0 112.769 -177.206 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 45' ' ' LEU . . . . . 0.43 HD13 ' HA ' ' A' ' 42' ' ' ILE . 95.8 mt -96.35 149.77 21.32 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 116.88 0.34 . . . . 0.0 110.696 178.782 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 30.6 mt-10 -73.24 128.83 36.6 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-N 115.96 -0.564 . . . . 0.0 109.817 177.761 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 16.2 tt -60.82 -20.41 21.58 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.43 0 CA-C-O 120.978 0.418 . . . . 0.0 112.124 -173.314 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 69.0 mt-30 -80.77 -25.02 38.21 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 116.397 -0.365 . . . . 0.0 110.949 -179.516 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 33.2 t70 -133.07 77.86 1.76 Allowed 'General case' 0 C--N 1.324 -0.528 0 CA-C-O 121.515 0.674 . . . . 0.0 110.693 -175.535 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 50' ' ' ILE . . . . . . . . . . . . . 72.7 mt -119.65 134.31 63.63 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.673 0 CA-C-N 115.233 -0.894 . . . . 0.0 109.205 176.465 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 51' ' ' GLU . . . . . 0.707 ' HB2' ' HB2' ' A' ' 54' ' ' GLN . 42.4 mm-40 -66.35 129.04 94.15 Favored Pre-proline 0 C--N 1.325 -0.478 0 N-CA-C 110.071 -0.344 . . . . 0.0 110.071 178.56 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 52' ' ' PRO . . . . . . . . . . . . . 49.9 Cg_exo -56.47 -31.56 86.34 Favored 'Trans proline' 0 C--N 1.342 0.196 0 C-N-CA 122.635 2.223 . . . . 0.0 111.273 178.036 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 53' ' ' MET . . . . . 0.41 ' HE1' ' HB2' ' A' ' 53' ' ' MET . 37.9 ttm -79.48 -24.87 42.05 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-N 115.482 -0.781 . . . . 0.0 110.339 179.899 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 54' ' ' GLN . . . . . 0.707 ' HB2' ' HB2' ' A' ' 51' ' ' GLU . 10.0 mt-30 -78.21 -34.16 49.53 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-O 120.97 0.414 . . . . 0.0 110.228 175.283 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 55' ' ' LEU . . . . . 0.464 HD22 ' HB2' ' A' ' 99' ' ' LEU . 32.8 tp -66.88 -34.79 78.57 Favored 'General case' 0 C--N 1.324 -0.521 0 N-CA-C 108.812 -0.81 . . . . 0.0 108.812 172.835 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 56' ' ' LEU . . . . . 0.433 ' O ' ' HB2' ' A' ' 60' ' ' ARG . 2.8 tm? -68.25 -32.07 71.99 Favored 'General case' 0 N--CA 1.453 -0.321 0 CA-C-N 115.184 -0.916 . . . . 0.0 109.592 174.176 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 57' ' ' GLU . . . . . 0.426 ' OE1' HG22 ' A' ' 41' ' ' ILE . 40.7 tt0 -64.04 -34.13 77.31 Favored 'General case' 0 C--N 1.33 -0.239 0 N-CA-C 110.131 -0.322 . . . . 0.0 110.131 177.312 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 58' ' ' VAL . . . . . 0.527 HG11 HG12 ' A' ' 38' ' ' ILE . 25.4 t -61.01 -54.0 41.5 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.235 0 CA-C-O 121.17 0.509 . . . . 0.0 110.526 173.745 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 59' ' ' ILE . . . . . 0.494 HG23 ' HE1' ' A' ' 103' ' ' MET . 1.7 mp -61.83 -38.65 81.05 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 CA-C-N 115.937 -0.574 . . . . 0.0 110.25 177.5 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 60' ' ' ARG . . . . . 0.433 ' HB2' ' O ' ' A' ' 56' ' ' LEU . 0.0 OUTLIER -60.99 -39.0 88.01 Favored 'General case' 0 C--O 1.221 -0.426 0 CA-C-N 115.591 -0.731 . . . . 0.0 109.841 178.223 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 61' ' ' ARG . . . . . 0.503 ' HB3' ' O ' ' A' ' 58' ' ' VAL . 9.9 tpt180 -56.6 -48.66 76.95 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 115.627 -0.715 . . . . 0.0 111.089 177.943 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 62' ' ' PHE . . . . . . . . . . . . . 66.1 m-85 -66.73 -46.91 73.97 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 116.515 -0.311 . . . . 0.0 111.405 179.387 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 43.4 mt-10 -65.32 -29.37 70.1 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.783 0.325 . . . . 0.0 111.336 179.554 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 33.2 t70 -68.19 -33.35 74.27 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.161 178.457 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 19.8 mtm180 -82.9 -12.73 57.14 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 115.91 -0.586 . . . . 0.0 111.017 176.323 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 96.64 5.29 58.89 Favored Glycine 0 N--CA 1.448 -0.532 0 C-N-CA 120.485 -0.864 . . . . 0.0 112.222 177.875 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 67' ' ' ALA . . . . . 0.647 ' HB1' ' HB2' ' A' ' 70' ' ' ARG . . . -83.86 80.56 9.11 Favored 'General case' 0 C--N 1.323 -0.569 0 N-CA-C 109.536 -0.542 . . . . 0.0 109.536 177.457 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 68' ' ' MET . . . . . . . . . . . . . 41.9 mmm -72.17 -38.77 69.07 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-N 115.608 -0.724 . . . . 0.0 110.781 -173.664 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -75.3 -34.04 61.25 Favored 'General case' 0 C--N 1.321 -0.632 0 CA-C-N 115.742 -0.663 . . . . 0.0 110.33 -179.444 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 70' ' ' ARG . . . . . 0.647 ' HB2' ' HB1' ' A' ' 67' ' ' ALA . 66.3 mtt-85 -76.18 -21.4 56.54 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.02 177.103 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -68.38 -52.65 30.65 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-O 120.885 0.374 . . . . 0.0 110.075 175.25 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 72' ' ' ASN . . . . . . . . . . . . . 86.0 m-20 -57.89 -37.11 73.38 Favored 'General case' 0 N--CA 1.464 0.249 0 CA-C-N 115.984 -0.553 . . . . 0.0 110.321 173.708 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 73' ' ' LYS . . . . . 0.56 ' HB2' ' HA ' ' A' ' 70' ' ' ARG . 12.3 mptt -59.18 -57.6 12.32 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 115.826 -0.624 . . . . 0.0 110.469 176.332 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -50.83 -47.25 60.21 Favored 'General case' 0 N--CA 1.463 0.222 0 O-C-N 123.409 0.443 . . . . 0.0 110.93 -179.32 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 75' ' ' ARG . . . . . 0.422 ' HD2' ' HE2' ' A' ' 103' ' ' MET . 77.9 ttt180 -55.35 -51.32 67.17 Favored 'General case' 0 C--N 1.323 -0.554 0 CA-C-N 115.426 -0.806 . . . . 0.0 111.42 179.448 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 56.4 ttt-85 -71.96 -39.9 69.03 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.141 -176.873 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 77' ' ' ARG . . . . . 0.623 ' HD3' ' HH2' ' A' ' 14' ' ' TRP . 2.5 mmp_? -62.91 -40.83 98.79 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.613 -179.225 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 78' ' ' CYS . . . . . . . . . . . . . 74.1 m -64.43 -36.73 85.12 Favored 'General case' 0 C--N 1.333 -0.115 0 CA-C-N 116.587 -0.279 . . . . 0.0 110.509 177.717 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . -55.54 -39.36 74.22 Favored Glycine 0 C--N 1.333 0.396 0 C-N-CA 121.026 -0.607 . . . . 0.0 111.829 174.609 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 39.7 mt-10 -64.97 -42.1 94.87 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.479 0.18 . . . . 0.0 110.913 175.33 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 60.3 t -60.31 -43.54 93.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-O 120.958 0.408 . . . . 0.0 110.254 178.278 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 82' ' ' PHE . . . . . 0.502 ' HB3' ' HB3' ' A' ' 94' ' ' ASN . 25.5 m-85 -59.84 -48.06 83.23 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 115.781 -0.645 . . . . 0.0 110.663 177.069 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 83' ' ' ARG . . . . . 0.494 ' O ' HG23 ' A' ' 87' ' ' VAL . 43.1 ttm180 -64.59 -40.52 95.66 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.845 179.509 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 84' ' ' TYR . . . . . . . . . . . . . 18.3 t80 -57.28 -39.89 76.63 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-O 121.303 0.573 . . . . 0.0 109.708 177.719 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 85' ' ' ALA . . . . . 0.488 ' HB3' HG21 ' A' ' 10' ' ' ILE . . . -69.37 -39.18 78.22 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 115.511 -0.768 . . . . 0.0 111.354 177.826 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 86' ' ' ILE . . . . . 0.483 HG13 ' O ' ' A' ' 82' ' ' PHE . 87.1 mt -62.7 -46.36 96.55 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.529 0 CA-C-O 120.787 0.327 . . . . 0.0 110.375 178.565 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 87' ' ' VAL . . . . . 0.494 HG23 ' O ' ' A' ' 83' ' ' ARG . 59.9 t -63.03 -39.74 86.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.154 -0.476 . . . . 0.0 111.157 -179.997 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 88' ' ' THR . . . . . . . . . . . . . 23.7 p -80.99 -0.45 39.62 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 116.307 -0.406 . . . . 0.0 111.73 -177.556 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . 71.16 34.52 64.46 Favored Glycine 0 C--N 1.33 0.214 0 C-N-CA 120.831 -0.7 . . . . 0.0 112.243 179.926 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 90' ' ' ARG . . . . . 0.45 ' HA ' ' HE ' ' A' ' 90' ' ' ARG . 1.7 mmp_? -110.91 -13.44 14.12 Favored 'General case' 0 C--N 1.32 -0.691 0 CA-C-O 120.823 0.344 . . . . 0.0 110.758 -179.816 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . -145.9 154.97 42.55 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.604 -0.271 . . . . 0.0 110.493 177.836 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 63.0 mttp -97.62 -36.57 10.23 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.641 -0.254 . . . . 0.0 111.64 -179.389 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 93' ' ' TYR . . . . . . . . . . . . . 12.2 p90 -147.19 173.09 12.86 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-O 120.656 0.265 . . . . 0.0 110.866 -174.443 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 94' ' ' ASN . . . . . 0.502 ' HB3' ' HB3' ' A' ' 82' ' ' PHE . 7.4 p30 -119.99 130.93 24.6 Favored Pre-proline 0 C--N 1.326 -0.423 0 CA-C-N 116.269 -0.423 . . . . 0.0 109.981 176.053 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 95' ' ' PRO . . . . . 0.448 ' HD3' ' HA ' ' A' ' 94' ' ' ASN . 4.2 Cg_exo -75.94 26.36 0.41 Allowed 'Trans proline' 0 CA--C 1.53 0.281 0 C-N-CA 123.178 2.585 . . . . 0.0 112.661 179.544 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 96' ' ' ALA . . . . . 0.569 ' N ' ' HD2' ' A' ' 97' ' ' PRO . . . -65.0 -46.35 74.26 Favored Pre-proline 0 CA--C 1.537 0.461 0 N-CA-C 112.482 0.549 . . . . 0.0 112.482 -178.116 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 97' ' ' PRO . . . . . 0.569 ' HD2' ' N ' ' A' ' 96' ' ' ALA . 11.5 Cg_endo -56.0 -42.5 66.12 Favored 'Trans proline' 0 C--N 1.355 0.878 0 C-N-CA 122.109 1.872 . . . . 0.0 112.263 175.616 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 26.8 m-20 -70.97 -32.97 69.98 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.379 179.891 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 99' ' ' LEU . . . . . 0.464 ' HB2' HD22 ' A' ' 55' ' ' LEU . 2.5 tm? -58.63 -46.57 86.8 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 115.654 -0.703 . . . . 0.0 110.189 176.348 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 100' ' ' ALA . . . . . . . . . . . . . . . -68.39 -33.46 74.28 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.823 179.915 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 35.3 t70 -68.0 -46.57 70.9 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 115.789 -0.641 . . . . 0.0 110.878 -179.328 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -66.13 -36.61 83.59 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-N 115.952 -0.567 . . . . 0.0 110.872 178.603 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 103' ' ' MET . . . . . 0.494 ' HE1' HG23 ' A' ' 59' ' ' ILE . 47.4 ttm -64.26 -31.31 72.46 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 115.858 -0.61 . . . . 0.0 110.612 178.758 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 104' ' ' LYS . . . . . 0.502 ' HZ3' ' HB3' ' A' ' 104' ' ' LYS . 6.8 ttpm? -75.06 -19.42 60.0 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 115.702 -0.681 . . . . 0.0 111.101 -177.325 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 105' ' ' GLY . . . . . . . . . . . . . . . -132.24 50.99 0.87 Allowed Glycine 0 N--CA 1.451 -0.358 0 C-N-CA 120.66 -0.781 . . . . 0.0 112.363 -178.664 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 106' ' ' TYR . . . . . 0.423 ' CE1' ' HD3' ' A' ' 60' ' ' ARG . 82.0 t80 -70.05 -30.17 67.36 Favored 'General case' 0 C--N 1.325 -0.466 0 N-CA-C 111.96 0.356 . . . . 0.0 111.96 -176.92 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 107' ' ' ARG . . . . . . . . . . . . . 60.9 mtt-85 -76.71 -19.24 57.91 Favored 'General case' 0 C--N 1.331 -0.219 0 C-N-CA 121.077 -0.249 . . . . 0.0 111.437 -178.586 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 108' ' ' LYS . . . . . . . . . . . . . 55.8 mttm 62.09 33.15 17.22 Favored 'General case' 0 C--O 1.234 0.248 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.551 178.762 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 109' ' ' LYS . . . . . 0.678 ' HE3' HD13 ' A' ' 111' ' ' LEU . 88.5 tttt -73.27 99.1 2.8 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 121.351 0.596 . . . . 0.0 110.37 -179.095 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 110' ' ' ASN . . . . . . . . . . . . . 30.2 p-10 -89.01 15.67 8.26 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-N 115.526 -0.761 . . . . 0.0 110.914 -177.958 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 111' ' ' LEU . . . . . 0.678 HD13 ' HE3' ' A' ' 109' ' ' LYS . 83.8 mt -82.39 152.32 26.24 Favored 'General case' 0 C--N 1.323 -0.546 0 CA-C-N 115.955 -0.566 . . . . 0.0 110.27 179.868 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 112' ' ' GLU . . . . . . . . . . . . . 35.5 mp0 -69.1 171.32 8.45 Favored 'General case' 0 C--N 1.323 -0.576 0 CA-C-N 116.016 -0.538 . . . . 0.0 110.404 179.01 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 113' ' ' HIS . . . . . . . . . . . . . 87.0 m-70 -95.05 -43.77 7.98 Favored 'General case' 0 C--N 1.322 -0.622 0 N-CA-C 109.426 -0.583 . . . . 0.0 109.426 178.535 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 114' ' ' HIS . . . . . . . . . . . . . 96.2 m-70 -135.42 131.48 36.28 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 115.55 -0.75 . . . . 0.0 109.866 178.655 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 115' ' ' HIS . . . . . . . . . . . . . 61.9 m80 -103.85 -74.11 0.65 Allowed 'General case' 0 C--N 1.321 -0.668 0 CA-C-O 120.927 0.394 . . . . 0.0 110.311 179.809 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 116' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -174.4 -57.0 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.458 0 N-CA-C 109.049 -0.722 . . . . 0.0 109.049 178.617 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 117' ' ' HIS . . . . . . . . . . . . . 51.3 t-80 -77.04 -41.06 44.04 Favored 'General case' 0 C--N 1.325 -0.482 0 N-CA-C 108.441 -0.948 . . . . 0.0 108.441 173.114 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 118' ' ' HIS . . . . . . . . . . . . . 16.6 t-160 . . . . . 0 C--O 1.247 0.947 0 CA-C-N 115.071 -0.968 . . . . 0.0 108.812 171.915 . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 50.5 m . . . . . 0 N--CA 1.477 0.912 0 CA-C-O 121.082 0.468 . . . . 0.0 111.04 . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 43.3 m -136.49 100.69 4.43 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-N 115.924 -0.58 . . . . 0.0 109.651 175.545 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 3' ' ' ASN . . . . . . . . . . . . . 10.6 t-20 -89.94 168.92 11.66 Favored 'General case' 0 C--N 1.323 -0.562 0 CA-C-N 115.88 -0.6 . . . . 0.0 109.989 -176.624 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 4' ' ' ASN . . . . . . . . . . . . . 66.5 t30 -66.77 -38.37 86.43 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.955 0.407 . . . . 0.0 111.088 -177.323 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 45.8 m-80 -97.98 13.02 32.27 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.383 -0.371 . . . . 0.0 110.665 179.459 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 12.3 t -66.11 139.45 58.16 Favored 'General case' 0 N--CA 1.449 -0.511 0 N-CA-C 109.495 -0.557 . . . . 0.0 109.495 -179.438 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 7' ' ' PHE . . . . . . . . . . . . . 31.8 t80 -57.38 -37.56 72.85 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 115.931 -0.577 . . . . 0.0 110.855 -176.545 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 13.4 p -61.61 -39.47 91.34 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.523 -0.308 . . . . 0.0 111.416 179.818 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -65.39 -51.43 60.45 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.132 -0.485 . . . . 0.0 111.039 -178.133 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 10' ' ' ILE . . . . . 0.532 HG12 HH11 ' A' ' 90' ' ' ARG . 52.9 mt -69.1 -34.38 63.33 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.437 0 CA-C-N 115.915 -0.584 . . . . 0.0 110.675 -178.566 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 29.1 t80 -60.63 -39.08 86.92 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.016 -0.538 . . . . 0.0 110.635 175.101 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 23.8 tptm -62.53 -46.31 88.96 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.322 -0.399 . . . . 0.0 110.302 179.576 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 45.0 mt-10 -59.47 -49.05 79.28 Favored 'General case' 0 C--O 1.234 0.242 0 CA-C-O 121.171 0.51 . . . . 0.0 110.442 177.447 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 14' ' ' TRP . . . . . . . . . . . . . 57.4 t90 -58.56 -52.28 66.34 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 115.252 -0.886 . . . . 0.0 111.37 -179.718 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 15' ' ' TYR . . . . . 0.443 ' CE1' ' HB1' ' A' ' 31' ' ' ALA . 39.6 t80 -63.69 -51.24 65.94 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.42 -0.354 . . . . 0.0 111.584 -177.997 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -58.89 -38.07 78.02 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.994 0.426 . . . . 0.0 110.765 -175.376 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 17' ' ' HIS . . . . . . . . . . . . . 51.5 t60 -70.24 -53.2 18.0 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 116.029 -0.532 . . . . 0.0 111.312 179.91 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 47.1 mtpt -80.4 -1.6 42.05 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-O 120.749 0.309 . . . . 0.0 111.64 -175.003 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 35.1 ttpt -65.0 -24.59 67.55 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-O 121.138 0.494 . . . . 0.0 109.942 172.702 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 83.0 mt-30 -78.02 -20.54 52.31 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 115.938 -0.574 . . . . 0.0 110.161 177.004 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 35.7 t -87.65 -42.1 14.9 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 CA-C-N 115.686 -0.688 . . . . 0.0 110.904 -174.802 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 22' ' ' TRP . . . . . . . . . . . . . 16.0 m0 -90.55 165.19 13.9 Favored 'General case' 0 C--N 1.32 -0.697 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.633 -178.582 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 12.9 m -68.85 142.63 54.78 Favored 'General case' 0 C--N 1.323 -0.561 0 N-CA-C 108.748 -0.834 . . . . 0.0 108.748 171.18 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 7.3 p -61.83 -31.24 50.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 C-N-CA 121.001 -0.279 . . . . 0.0 111.316 -173.779 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -64.2 -47.04 88.99 Favored Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.751 -0.738 . . . . 0.0 111.645 176.402 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 26' ' ' TYR . . . . . . . . . . . . . 89.7 t80 -67.5 -43.68 80.32 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-O 120.748 0.309 . . . . 0.0 110.391 178.437 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -60.6 -45.7 93.02 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 115.952 -0.567 . . . . 0.0 111.187 -178.498 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 24.7 m -69.34 -37.05 77.51 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-N 116.533 -0.303 . . . . 0.0 111.11 -178.834 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 35.1 tt0 -64.87 -46.9 79.88 Favored 'General case' 0 C--O 1.232 0.161 0 CA-C-O 120.908 0.385 . . . . 0.0 110.181 177.564 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 10.2 tt -60.97 -47.94 84.11 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 115.813 -0.63 . . . . 0.0 110.175 179.594 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 31' ' ' ALA . . . . . 0.443 ' HB1' ' CE1' ' A' ' 15' ' ' TYR . . . -65.93 -38.78 89.56 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 115.902 -0.59 . . . . 0.0 111.621 -178.212 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 32' ' ' LYS . . . . . 0.494 ' HA ' ' HD2' ' A' ' 32' ' ' LYS . 17.2 tptt -67.04 -44.17 80.9 Favored 'General case' 0 C--N 1.33 -0.273 0 C-N-CA 120.792 -0.363 . . . . 0.0 110.38 -177.898 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 33' ' ' MET . . . . . . . . . . . . . 48.1 ttp -62.39 -40.06 95.25 Favored 'General case' 0 C--N 1.322 -0.592 0 CA-C-N 115.931 -0.577 . . . . 0.0 109.874 176.943 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 34' ' ' PHE . . . . . 0.403 ' O ' ' HB ' ' A' ' 38' ' ' ILE . 6.6 t80 -62.38 -49.96 73.46 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 115.321 -0.854 . . . . 0.0 110.637 -179.311 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 35' ' ' ASP . . . . . 0.531 ' HA ' ' HB2' ' A' ' 39' ' ' LEU . 0.9 OUTLIER -72.45 -41.83 65.69 Favored 'General case' 0 C--N 1.33 -0.261 0 C-N-CA 120.149 -0.621 . . . . 0.0 110.775 -177.581 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 37.4 t70 -64.02 -28.22 69.65 Favored 'General case' 0 C--N 1.328 -0.334 0 N-CA-C 112.202 0.445 . . . . 0.0 112.202 -173.468 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 37' ' ' ASP . . . . . 0.512 ' HB3' ' HG2' ' A' ' 61' ' ' ARG . 33.7 m-20 -113.79 -47.72 2.96 Favored 'General case' 0 C--N 1.323 -0.558 0 N-CA-C 112.307 0.484 . . . . 0.0 112.307 179.913 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 38' ' ' ILE . . . . . 0.52 HG12 HG12 ' A' ' 58' ' ' VAL . 16.9 mt -81.69 -29.05 10.12 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.532 0 N-CA-C 112.326 0.491 . . . . 0.0 112.326 -169.888 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 39' ' ' LEU . . . . . 0.531 ' HB2' ' HA ' ' A' ' 35' ' ' ASP . 0.3 OUTLIER -64.15 -49.33 74.1 Favored Pre-proline 0 CA--C 1.537 0.474 0 C-N-CA 120.714 -0.394 . . . . 0.0 111.53 -174.906 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 27.8 Cg_exo -63.78 -11.32 26.1 Favored 'Trans proline' 0 C--N 1.352 0.738 0 C-N-CA 121.966 1.777 . . . . 0.0 112.682 177.954 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 41' ' ' ILE . . . . . 0.548 HG23 HG22 ' A' ' 42' ' ' ILE . 43.2 mm -92.91 -57.35 4.4 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.615 -0.266 . . . . 0.0 111.363 -177.695 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 42' ' ' ILE . . . . . 0.548 HG22 HG23 ' A' ' 41' ' ' ILE . 12.4 pt -130.43 5.17 2.17 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.202 0 N-CA-C 112.605 0.594 . . . . 0.0 112.605 -175.343 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -57.54 -36.41 77.6 Favored Glycine 0 CA--C 1.519 0.295 0 C-N-CA 120.825 -0.703 . . . . 0.0 113.206 -174.381 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -96.62 12.99 65.91 Favored Glycine 0 N--CA 1.45 -0.417 0 C-N-CA 120.492 -0.861 . . . . 0.0 112.973 -177.921 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 96.7 mt -96.81 156.7 16.24 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 116.954 0.377 . . . . 0.0 110.836 -178.885 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 7.7 mm-40 -73.24 129.03 37.16 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-N 115.701 -0.681 . . . . 0.0 109.467 174.9 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 47' ' ' ILE . . . . . 0.469 HD13 ' HB2' ' A' ' 85' ' ' ALA . 13.8 tt -65.17 -18.12 23.21 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.599 0 CA-C-O 121.315 0.579 . . . . 0.0 110.693 -177.991 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 96.7 mt-30 -81.56 -16.33 52.01 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 115.78 -0.646 . . . . 0.0 110.775 177.854 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 25.9 t70 -144.22 81.98 1.69 Allowed 'General case' 0 C--N 1.327 -0.397 0 CA-C-O 121.24 0.543 . . . . 0.0 111.244 -176.722 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 50' ' ' ILE . . . . . . . . . . . . . 72.5 mt -118.91 130.38 73.81 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.646 0 CA-C-N 115.53 -0.759 . . . . 0.0 109.316 174.098 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 51' ' ' GLU . . . . . 0.776 ' HB2' ' HB2' ' A' ' 54' ' ' GLN . 9.8 mt-10 -66.79 144.0 98.35 Favored Pre-proline 0 C--N 1.326 -0.429 0 CA-C-N 116.338 -0.392 . . . . 0.0 110.482 -176.063 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 52' ' ' PRO . . . . . . . . . . . . . 31.6 Cg_exo -58.92 -41.26 63.87 Favored 'Trans proline' 0 C--N 1.34 0.103 0 C-N-CA 122.234 1.956 . . . . 0.0 111.529 178.105 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 53' ' ' MET . . . . . 0.492 ' HA ' ' HB3' ' A' ' 56' ' ' LEU . 66.7 mtt -80.52 -8.33 59.54 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.66 -179.98 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 54' ' ' GLN . . . . . 0.776 ' HB2' ' HB2' ' A' ' 51' ' ' GLU . 41.4 tp60 -83.92 -46.81 11.7 Favored 'General case' 0 C--N 1.326 -0.421 0 N-CA-C 108.855 -0.795 . . . . 0.0 108.855 176.76 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 26.6 tp -67.01 -30.82 71.03 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 115.446 -0.797 . . . . 0.0 109.047 173.843 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 56' ' ' LEU . . . . . 0.492 ' HB3' ' HA ' ' A' ' 53' ' ' MET . 2.0 tm? -67.06 -32.65 73.97 Favored 'General case' 0 C--O 1.223 -0.34 0 CA-C-N 115.683 -0.689 . . . . 0.0 109.583 174.282 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 57' ' ' GLU . . . . . 0.444 ' HG2' HD11 ' A' ' 41' ' ' ILE . 36.3 tt0 -61.97 -35.21 77.8 Favored 'General case' 0 C--N 1.328 -0.33 0 N-CA-C 109.971 -0.381 . . . . 0.0 109.971 175.966 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 58' ' ' VAL . . . . . 0.565 ' O ' ' HB3' ' A' ' 61' ' ' ARG . 85.5 t -61.35 -56.67 16.31 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.393 0 CA-C-O 121.098 0.475 . . . . 0.0 110.919 172.835 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 59' ' ' ILE . . . . . 0.514 HG22 ' HE3' ' A' ' 103' ' ' MET . 1.8 mp -56.39 -45.23 81.59 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.408 0 CA-C-N 116.022 -0.536 . . . . 0.0 110.327 178.765 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 43.4 ttt-85 -64.59 -34.87 79.27 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 115.539 -0.755 . . . . 0.0 110.702 -179.442 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 61' ' ' ARG . . . . . 0.565 ' HB3' ' O ' ' A' ' 58' ' ' VAL . 8.8 tpt180 -52.39 -43.33 64.67 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 115.82 -0.627 . . . . 0.0 110.195 175.349 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 62' ' ' PHE . . . . . . . . . . . . . 91.7 m-85 -79.33 -40.38 30.45 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 115.955 -0.566 . . . . 0.0 111.457 177.848 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 35.5 mt-10 -60.31 -36.08 77.08 Favored 'General case' 0 N--CA 1.466 0.344 0 N-CA-C 111.741 0.274 . . . . 0.0 111.741 179.947 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 29.1 t70 -60.02 -28.74 67.99 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 116.021 -0.536 . . . . 0.0 111.018 -179.475 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 41.4 mtm-85 -99.8 -3.17 33.28 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.037 -179.728 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 92.54 1.5 68.55 Favored Glycine 0 N--CA 1.45 -0.429 0 C-N-CA 120.561 -0.828 . . . . 0.0 113.225 174.028 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -77.71 85.87 4.01 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-O 121.052 0.453 . . . . 0.0 110.142 179.155 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 68' ' ' MET . . . . . 0.618 ' HA ' ' HE3' ' A' ' 68' ' ' MET . 0.0 OUTLIER -70.71 -45.0 65.73 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-N 115.926 -0.579 . . . . 0.0 110.826 -174.382 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 49.9 mt-10 -60.48 -47.39 86.36 Favored 'General case' 0 CA--C 1.516 -0.359 0 CA-C-O 120.995 0.426 . . . . 0.0 110.499 179.224 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 70' ' ' ARG . . . . . 0.511 ' HA ' ' HB2' ' A' ' 73' ' ' LYS . 62.5 mtt85 -74.78 -18.85 60.41 Favored 'General case' 0 C--N 1.323 -0.57 0 CA-C-N 115.783 -0.644 . . . . 0.0 111.883 -174.06 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -70.13 -42.96 71.93 Favored 'General case' 0 C--N 1.327 -0.41 0 N-CA-C 109.387 -0.598 . . . . 0.0 109.387 170.386 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 72' ' ' ASN . . . . . . . . . . . . . 57.3 t30 -71.17 -39.19 72.04 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 115.448 -0.796 . . . . 0.0 110.252 177.44 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 73' ' ' LYS . . . . . 0.511 ' HB2' ' HA ' ' A' ' 70' ' ' ARG . 67.8 mttm -56.88 -41.65 78.4 Favored 'General case' 0 CA--C 1.519 -0.235 0 CA-C-N 115.994 -0.548 . . . . 0.0 110.576 175.829 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -59.49 -49.75 76.57 Favored 'General case' 0 N--CA 1.453 -0.302 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.285 177.955 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 75' ' ' ARG . . . . . 0.411 ' NH2' ' HB1' ' A' ' 100' ' ' ALA . 41.9 ttt180 -57.45 -48.24 79.69 Favored 'General case' 0 CA--C 1.532 0.259 0 CA-C-O 120.871 0.367 . . . . 0.0 110.824 177.36 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 85.3 mtt180 -65.21 -46.01 82.42 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.099 -0.5 . . . . 0.0 112.239 -177.373 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 77' ' ' ARG . . . . . 0.459 ' O ' HG21 ' A' ' 81' ' ' VAL . 26.7 mmt180 -73.21 -39.14 65.76 Favored 'General case' 0 C--N 1.326 -0.424 0 N-CA-C 111.654 0.242 . . . . 0.0 111.654 -177.093 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 78' ' ' CYS . . . . . . . . . . . . . 78.5 m -62.73 -41.44 99.17 Favored 'General case' 0 C--N 1.328 -0.35 0 N-CA-C 109.49 -0.559 . . . . 0.0 109.49 174.833 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . -63.1 -26.7 69.46 Favored Glycine 0 N--CA 1.452 -0.258 0 C-N-CA 121.16 -0.543 . . . . 0.0 112.209 176.991 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 31.8 tt0 -75.51 -33.69 60.76 Favored 'General case' 0 C--N 1.326 -0.413 0 N-CA-C 109.549 -0.538 . . . . 0.0 109.549 176.693 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 81' ' ' VAL . . . . . 0.459 HG21 ' O ' ' A' ' 77' ' ' ARG . 61.1 t -66.76 -43.0 90.2 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.23 0 CA-C-N 115.895 -0.593 . . . . 0.0 109.944 173.822 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 82' ' ' PHE . . . . . 0.497 ' O ' HG13 ' A' ' 86' ' ' ILE . 58.3 m-85 -59.19 -42.99 92.19 Favored 'General case' 0 C--O 1.231 0.086 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.254 174.813 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 83' ' ' ARG . . . . . 0.434 ' O ' HG23 ' A' ' 87' ' ' VAL . 34.6 ttt-85 -58.16 -47.48 83.24 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-N 116.361 -0.381 . . . . 0.0 110.305 176.586 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 84' ' ' TYR . . . . . . . . . . . . . 82.7 t80 -59.94 -37.91 80.9 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 115.981 -0.554 . . . . 0.0 110.26 178.519 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 85' ' ' ALA . . . . . 0.486 ' HA ' HG23 ' A' ' 88' ' ' THR . . . -64.26 -35.0 79.4 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.98 177.357 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 86' ' ' ILE . . . . . 0.497 HG13 ' O ' ' A' ' 82' ' ' PHE . 67.9 mt -68.85 -46.16 79.65 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.52 0 N-CA-C 109.84 -0.43 . . . . 0.0 109.84 175.528 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 87' ' ' VAL . . . . . 0.434 HG23 ' O ' ' A' ' 83' ' ' ARG . 82.0 t -62.45 -36.35 74.39 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.248 0 CA-C-N 115.885 -0.598 . . . . 0.0 111.317 -179.607 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 88' ' ' THR . . . . . 0.486 HG23 ' HA ' ' A' ' 85' ' ' ALA . 6.1 t -82.34 -3.77 56.02 Favored 'General case' 0 CA--C 1.535 0.385 0 CA-C-O 121.067 0.461 . . . . 0.0 110.609 179.901 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . 79.84 42.53 11.04 Favored Glycine 0 N--CA 1.452 -0.263 0 C-N-CA 121.023 -0.608 . . . . 0.0 113.23 174.941 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 90' ' ' ARG . . . . . 0.532 HH11 HG12 ' A' ' 10' ' ' ILE . 82.1 mtt180 -120.64 -40.92 2.61 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-O 120.787 0.327 . . . . 0.0 111.063 177.125 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . -106.05 165.96 10.84 Favored 'General case' 0 C--N 1.325 -0.5 0 CA-C-N 116.563 -0.29 . . . . 0.0 110.807 -179.124 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 63.3 mttm -108.63 -46.25 3.7 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 116.303 -0.408 . . . . 0.0 111.255 -179.578 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 93' ' ' TYR . . . . . . . . . . . . . 53.5 p90 -145.63 166.59 25.33 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.06 -178.592 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 94' ' ' ASN . . . . . 0.427 ' O ' ' HD2' ' A' ' 97' ' ' PRO . 1.4 m-80 -95.52 131.29 29.87 Favored Pre-proline 0 C--N 1.323 -0.579 0 N-CA-C 108.99 -0.744 . . . . 0.0 108.99 177.666 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 95' ' ' PRO . . . . . . . . . . . . . 74.2 Cg_endo -76.67 17.85 0.76 Allowed 'Trans proline' 0 N--CA 1.464 -0.206 0 C-N-CA 122.439 2.093 . . . . 0.0 112.049 177.828 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 96' ' ' ALA . . . . . 0.526 ' N ' ' HD2' ' A' ' 97' ' ' PRO . . . -57.64 -49.11 95.66 Favored Pre-proline 0 CA--C 1.536 0.406 0 CA-C-N 115.882 -0.599 . . . . 0.0 112.003 179.607 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 97' ' ' PRO . . . . . 0.526 ' HD2' ' N ' ' A' ' 96' ' ' ALA . 11.5 Cg_endo -56.38 -42.54 64.78 Favored 'Trans proline' 0 C--N 1.356 0.95 0 C-N-CA 122.228 1.952 . . . . 0.0 112.591 175.88 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 1.1 t70 -71.54 -33.33 69.06 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-O 121.245 0.545 . . . . 0.0 110.045 -178.27 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 99' ' ' LEU . . . . . . . . . . . . . 3.1 tm? -59.07 -40.09 84.11 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 115.446 -0.797 . . . . 0.0 109.675 173.392 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 100' ' ' ALA . . . . . 0.429 ' O ' ' HB2' ' A' ' 104' ' ' LYS . . . -65.57 -34.43 78.21 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 115.741 -0.663 . . . . 0.0 110.627 179.384 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -75.75 -32.34 59.93 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.392 -0.367 . . . . 0.0 111.563 178.791 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -63.1 -51.54 66.19 Favored 'General case' 0 C--N 1.327 -0.395 0 N-CA-C 109.819 -0.437 . . . . 0.0 109.819 174.721 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 103' ' ' MET . . . . . 0.514 ' HE3' HG22 ' A' ' 59' ' ' ILE . 32.2 ttm -59.77 -33.81 72.17 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 115.527 -0.76 . . . . 0.0 110.668 175.06 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 104' ' ' LYS . . . . . 0.429 ' HB2' ' O ' ' A' ' 100' ' ' ALA . 86.1 tttt -66.02 -57.65 7.29 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 115.147 -0.933 . . . . 0.0 110.972 -179.291 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 105' ' ' GLY . . . . . . . . . . . . . . . -72.4 -18.67 78.44 Favored Glycine 0 N--CA 1.451 -0.342 0 CA-C-N 115.663 -0.699 . . . . 0.0 112.278 -179.538 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 106' ' ' TYR . . . . . . . . . . . . . 67.5 t80 -56.99 -33.3 66.98 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-O 120.894 0.378 . . . . 0.0 111.002 177.689 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 107' ' ' ARG . . . . . . . . . . . . . 89.8 mtt-85 -78.49 12.74 1.85 Allowed 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.68 -174.013 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 108' ' ' LYS . . . . . . . . . . . . . 67.8 mttm -91.83 -23.49 19.67 Favored 'General case' 0 C--N 1.327 -0.386 0 N-CA-C 109.157 -0.683 . . . . 0.0 109.157 169.827 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 109' ' ' LYS . . . . . . . . . . . . . 78.3 tttt 73.52 -48.77 0.68 Allowed 'General case' 0 N--CA 1.468 0.474 0 CA-C-N 114.79 -1.096 . . . . 0.0 111.464 -178.458 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 110' ' ' ASN . . . . . . . . . . . . . 59.3 t30 -105.79 131.23 53.39 Favored 'General case' 0 C--N 1.322 -0.589 0 N-CA-C 109.397 -0.594 . . . . 0.0 109.397 174.919 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 111' ' ' LEU . . . . . 0.88 HD12 ' HD1' ' A' ' 117' ' ' HIS . 89.1 mt -86.03 172.63 10.48 Favored 'General case' 0 C--N 1.323 -0.556 0 CA-C-O 121.326 0.584 . . . . 0.0 111.486 -176.691 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 112' ' ' GLU . . . . . . . . . . . . . 5.3 pt-20 -67.14 -24.68 65.92 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 115.206 -0.906 . . . . 0.0 111.629 -179.476 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 113' ' ' HIS . . . . . 0.444 ' HB3' ' O ' ' A' ' 115' ' ' HIS . 21.7 m80 -127.88 123.4 34.95 Favored 'General case' 0 C--N 1.322 -0.612 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.903 -177.811 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 114' ' ' HIS . . . . . . . . . . . . . 11.1 t-80 -77.66 -35.33 52.55 Favored 'General case' 0 C--N 1.326 -0.417 0 N-CA-C 109.459 -0.571 . . . . 0.0 109.459 176.368 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 115' ' ' HIS . . . . . 0.444 ' O ' ' HB3' ' A' ' 113' ' ' HIS . 61.4 m-70 -102.62 140.22 37.19 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-N 115.736 -0.665 . . . . 0.0 109.378 170.922 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 116' ' ' HIS . . . . . . . . . . . . . 58.8 t-80 62.58 83.47 0.16 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 121.467 0.651 . . . . 0.0 110.483 -178.293 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 117' ' ' HIS . . . . . 0.88 ' HD1' HD12 ' A' ' 111' ' ' LEU . 53.9 m-70 -87.84 -26.07 22.99 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-N 115.531 -0.759 . . . . 0.0 109.73 -179.502 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 118' ' ' HIS . . . . . . . . . . . . . 50.7 t-80 . . . . . 0 C--O 1.246 0.914 0 CA-C-N 115.332 -0.849 . . . . 0.0 110.229 -178.024 . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 22.9 m . . . . . 0 N--CA 1.475 0.802 0 CA-C-O 120.879 0.371 . . . . 0.0 110.256 . . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 50.9 m -129.45 112.33 13.69 Favored 'General case' 0 C--N 1.322 -0.595 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.313 -175.621 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 3' ' ' ASN . . . . . . . . . . . . . 93.3 m-20 61.12 85.7 0.11 Allowed 'General case' 0 C--N 1.333 -0.15 0 CA-C-N 115.458 -0.792 . . . . 0.0 110.615 -177.392 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 4' ' ' ASN . . . . . 0.404 ' O ' ' HG2' ' A' ' 46' ' ' GLU . 19.0 m-80 -87.78 -11.48 47.9 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 115.72 -0.673 . . . . 0.0 110.079 -178.224 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 47.9 t30 61.66 32.16 18.51 Favored 'General case' 0 N--CA 1.465 0.287 0 CA-C-N 115.417 -0.81 . . . . 0.0 110.027 -179.711 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 5.9 m -66.11 141.59 58.06 Favored 'General case' 0 C--O 1.238 0.461 0 CA-C-N 115.336 -0.847 . . . . 0.0 110.763 -178.858 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 7' ' ' PHE . . . . . 0.427 ' HE1' ' CZ ' ' A' ' 34' ' ' PHE . 19.7 t80 -55.33 -48.07 74.71 Favored 'General case' 0 C--N 1.324 -0.539 0 CA-C-N 115.727 -0.669 . . . . 0.0 110.782 -178.963 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 8' ' ' SER . . . . . 0.528 ' HA ' ' HB3' ' A' ' 11' ' ' TYR . 49.7 m -60.68 -31.44 70.68 Favored 'General case' 0 N--CA 1.462 0.159 0 N-CA-C 112.29 0.478 . . . . 0.0 112.29 -178.917 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -65.56 -49.83 67.41 Favored 'General case' 0 C--O 1.236 0.386 0 CA-C-O 121.197 0.522 . . . . 0.0 110.284 -179.629 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 10' ' ' ILE . . . . . 0.453 HD13 HG21 ' A' ' 47' ' ' ILE . 60.4 mt -70.81 -34.59 56.84 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.433 0 CA-C-N 115.712 -0.676 . . . . 0.0 110.086 177.811 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 11' ' ' TYR . . . . . 0.528 ' HB3' ' HA ' ' A' ' 8' ' ' SER . 2.9 t80 -54.7 -44.69 73.64 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 115.987 -0.551 . . . . 0.0 111.182 175.716 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 79.1 tttt -66.09 -45.68 80.36 Favored 'General case' 0 C--N 1.328 -0.333 0 C-N-CA 120.875 -0.33 . . . . 0.0 110.792 -179.954 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 30.6 tt0 -61.2 -45.04 96.22 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-O 121.18 0.514 . . . . 0.0 109.764 179.215 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 14' ' ' TRP . . . . . 0.424 ' CZ2' ' HH2' ' A' ' 22' ' ' TRP . 57.3 t90 -57.75 -50.39 73.4 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 115.086 -0.961 . . . . 0.0 110.775 176.308 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 15' ' ' TYR . . . . . . . . . . . . . 22.1 t80 -57.85 -51.13 70.87 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 115.544 -0.753 . . . . 0.0 111.557 179.613 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 42.2 tt0 -65.8 -31.84 73.03 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-O 121.017 0.437 . . . . 0.0 110.968 -176.558 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 17' ' ' HIS . . . . . . . . . . . . . 86.0 t60 -75.05 -51.55 13.26 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.86 179.457 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 6.8 mmmm -75.86 -7.49 54.62 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.448 -0.342 . . . . 0.0 111.223 -177.066 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 56.4 tttm -60.32 -27.9 67.71 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.043 -0.526 . . . . 0.0 110.65 174.048 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 17.6 mt-30 -74.77 -19.94 60.01 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 115.964 -0.562 . . . . 0.0 110.267 179.334 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 39.2 t -91.26 -40.47 12.55 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.518 0 CA-C-N 115.894 -0.593 . . . . 0.0 110.659 -176.612 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 22' ' ' TRP . . . . . 0.424 ' HH2' ' CZ2' ' A' ' 14' ' ' TRP . 9.3 m0 -91.47 -179.85 5.49 Favored 'General case' 0 C--N 1.322 -0.607 0 CA-C-O 121.215 0.531 . . . . 0.0 110.846 -179.149 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 10.4 m -87.27 147.4 25.55 Favored 'General case' 0 C--N 1.322 -0.596 0 N-CA-C 108.915 -0.772 . . . . 0.0 108.915 173.081 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 13.7 p -60.54 -43.49 94.58 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.359 0 N-CA-C 112.023 0.379 . . . . 0.0 112.023 -172.108 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -66.26 -45.42 86.52 Favored Glycine 0 N--CA 1.452 -0.237 0 C-N-CA 120.761 -0.733 . . . . 0.0 111.775 -179.902 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 26' ' ' TYR . . . . . . . . . . . . . 86.8 t80 -58.58 -46.81 86.14 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-O 120.791 0.329 . . . . 0.0 110.327 176.793 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -62.73 -36.64 83.65 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.022 -0.535 . . . . 0.0 111.012 -179.791 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 75.7 m -64.16 -49.33 72.52 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.402 -0.363 . . . . 0.0 111.054 179.063 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 25.2 mt-10 -68.43 -31.21 70.36 Favored 'General case' 0 C--N 1.329 -0.284 0 C-N-CA 120.926 -0.309 . . . . 0.0 110.917 -179.606 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 14.3 tp -63.6 -53.37 52.69 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.202 -0.454 . . . . 0.0 109.984 174.109 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -62.62 -42.99 99.9 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 115.464 -0.789 . . . . 0.0 111.301 -178.179 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 61.7 tttp -60.76 -43.53 97.89 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.559 -0.291 . . . . 0.0 110.998 179.803 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 33' ' ' MET . . . . . 0.47 ' SD ' ' HD3' ' A' ' 70' ' ' ARG . 53.0 ttp -63.02 -45.53 91.89 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-O 121.346 0.593 . . . . 0.0 110.061 177.796 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 34' ' ' PHE . . . . . 0.548 ' O ' ' HB ' ' A' ' 38' ' ' ILE . 4.9 t80 -60.65 -33.04 72.22 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-N 115.399 -0.819 . . . . 0.0 110.0 178.8 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 35' ' ' ASP . . . . . 0.728 ' O ' ' HB2' ' A' ' 39' ' ' LEU . 14.2 t70 -79.43 -59.24 2.83 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 116.113 -0.494 . . . . 0.0 111.439 -178.526 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 27.5 m-20 -67.58 -14.1 62.64 Favored 'General case' 0 C--N 1.327 -0.384 0 N-CA-C 112.632 0.604 . . . . 0.0 112.632 -173.067 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 -110.3 -47.71 3.26 Favored 'General case' 0 C--N 1.323 -0.559 0 N-CA-C 112.115 0.413 . . . . 0.0 112.115 179.945 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 38' ' ' ILE . . . . . 0.548 ' HB ' ' O ' ' A' ' 34' ' ' PHE . 16.2 mt -91.41 -30.58 4.79 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.414 0 N-CA-C 112.464 0.542 . . . . 0.0 112.464 -170.387 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 39' ' ' LEU . . . . . 0.728 ' HB2' ' O ' ' A' ' 35' ' ' ASP . 0.4 OUTLIER -58.61 -48.25 97.24 Favored Pre-proline 0 N--CA 1.469 0.509 0 N-CA-C 112.728 0.64 . . . . 0.0 112.728 -177.002 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 18.7 Cg_exo -68.44 4.36 1.7 Allowed 'Trans proline' 0 C--N 1.355 0.902 0 C-N-CA 122.168 1.912 . . . . 0.0 112.809 179.045 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 32.9 mm -110.74 -60.59 2.81 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 CA-C-O 120.615 0.245 . . . . 0.0 111.242 -179.816 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 42' ' ' ILE . . . . . 0.48 ' HA ' HD13 ' A' ' 45' ' ' LEU . 27.7 pt -125.24 16.23 4.34 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.197 0 N-CA-C 112.425 0.528 . . . . 0.0 112.425 -174.033 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 43' ' ' GLY . . . . . 0.458 ' HA3' HD12 ' A' ' 39' ' ' LEU . . . -52.07 -53.15 31.96 Favored Glycine 0 CA--C 1.521 0.412 0 C-N-CA 120.947 -0.644 . . . . 0.0 113.433 -175.274 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -94.24 18.63 56.48 Favored Glycine 0 N--CA 1.448 -0.5 0 C-N-CA 120.703 -0.76 . . . . 0.0 113.404 -176.171 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 45' ' ' LEU . . . . . 0.48 HD13 ' HA ' ' A' ' 42' ' ' ILE . 85.8 mt -92.73 150.86 20.38 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 117.38 0.59 . . . . 0.0 110.24 179.088 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 46' ' ' GLU . . . . . 0.455 ' O ' HG13 ' A' ' 50' ' ' ILE . 44.3 mt-10 -69.64 131.95 45.42 Favored 'General case' 0 CA--C 1.513 -0.453 0 N-CA-C 109.914 -0.402 . . . . 0.0 109.914 176.986 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 47' ' ' ILE . . . . . 0.453 HG21 HD13 ' A' ' 10' ' ' ILE . 15.1 tt -64.45 -16.45 19.36 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.766 0 CA-C-O 121.21 0.529 . . . . 0.0 111.2 -177.05 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 52.8 tt0 -99.12 -10.8 22.07 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-N 115.978 -0.556 . . . . 0.0 110.578 -179.437 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 36.7 t70 -140.0 85.02 2.0 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-O 121.215 0.531 . . . . 0.0 110.52 -178.184 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 50' ' ' ILE . . . . . 0.455 HG13 ' O ' ' A' ' 46' ' ' GLU . 71.6 mt -124.01 129.21 74.33 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.669 0 CA-C-N 115.9 -0.591 . . . . 0.0 109.958 178.112 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 46.2 mm-40 -66.6 135.82 94.63 Favored Pre-proline 0 C--N 1.325 -0.478 0 CA-C-N 115.764 -0.653 . . . . 0.0 110.261 178.453 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 52' ' ' PRO . . . . . . . . . . . . . 52.0 Cg_exo -54.0 -32.83 70.3 Favored 'Trans proline' 0 C--N 1.344 0.294 0 C-N-CA 122.813 2.342 . . . . 0.0 111.815 178.342 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 53' ' ' MET . . . . . . . . . . . . . 82.9 mtp -59.56 -43.2 93.64 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 115.747 -0.66 . . . . 0.0 110.331 178.283 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 54' ' ' GLN . . . . . 0.464 ' HB3' HG23 ' A' ' 42' ' ' ILE . 7.8 mp0 -73.57 -43.09 60.67 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 115.835 -0.62 . . . . 0.0 111.572 -177.475 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 55' ' ' LEU . . . . . 0.47 HD22 ' HB2' ' A' ' 99' ' ' LEU . 22.6 tp -65.25 -37.97 88.89 Favored 'General case' 0 C--N 1.324 -0.542 0 CA-C-O 121.42 0.629 . . . . 0.0 109.765 -179.991 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 3.2 tp -69.21 -33.51 73.42 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 115.871 -0.604 . . . . 0.0 109.539 176.064 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 12.2 tp10 -62.34 -29.9 70.79 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.068 177.711 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 58' ' ' VAL . . . . . 0.549 ' O ' ' HB3' ' A' ' 61' ' ' ARG . 52.2 t -64.66 -55.76 19.53 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.178 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.412 173.771 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 59' ' ' ILE . . . . . 0.496 HG21 ' HE2' ' A' ' 103' ' ' MET . 1.8 mp -59.52 -39.1 78.42 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.363 0 CA-C-O 121.11 0.481 . . . . 0.0 109.905 177.162 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 13.3 tpt180 -65.9 -27.16 67.99 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 115.617 -0.72 . . . . 0.0 110.694 179.056 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 61' ' ' ARG . . . . . 0.549 ' HB3' ' O ' ' A' ' 58' ' ' VAL . 3.4 tpm_? -63.61 -41.4 98.3 Favored 'General case' 0 C--N 1.327 -0.384 0 N-CA-C 109.62 -0.511 . . . . 0.0 109.62 175.683 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 62' ' ' PHE . . . . . . . . . . . . . 96.4 m-85 -75.78 -31.85 59.67 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 115.676 -0.693 . . . . 0.0 111.157 177.23 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 63' ' ' GLU . . . . . 0.474 ' HG2' ' HE1' ' A' ' 68' ' ' MET . 37.5 mt-10 -68.09 -29.61 68.59 Favored 'General case' 0 N--CA 1.463 0.181 0 CA-C-O 121.001 0.429 . . . . 0.0 110.07 174.581 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 64' ' ' ASP . . . . . 0.528 ' HB3' ' O ' ' A' ' 61' ' ' ARG . 8.8 t70 -59.35 -45.01 92.57 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 115.504 -0.771 . . . . 0.0 109.788 172.772 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 47.7 mtp180 -69.68 -30.12 67.71 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 115.275 -0.875 . . . . 0.0 110.489 177.157 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 100.56 -0.39 55.54 Favored Glycine 0 N--CA 1.449 -0.486 0 CA-C-N 115.814 -0.63 . . . . 0.0 111.939 179.186 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -82.71 94.23 7.55 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-O 120.799 0.333 . . . . 0.0 110.871 -177.787 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 68' ' ' MET . . . . . 0.879 ' HA ' ' HE3' ' A' ' 68' ' ' MET . 7.1 mmt -65.9 -37.85 87.19 Favored 'General case' 0 C--N 1.324 -0.528 0 CA-C-N 116.028 -0.533 . . . . 0.0 110.176 -179.715 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 38.4 mt-10 -61.64 -46.86 87.99 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 115.459 -0.792 . . . . 0.0 110.576 179.45 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 70' ' ' ARG . . . . . 0.47 ' HD3' ' SD ' ' A' ' 33' ' ' MET . 52.4 mtt180 -74.5 -27.02 60.37 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 115.809 -0.632 . . . . 0.0 111.293 -176.509 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 71' ' ' ALA . . . . . 0.466 ' HB3' HG22 ' A' ' 59' ' ' ILE . . . -66.11 -50.5 63.85 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-O 121.389 0.614 . . . . 0.0 110.208 176.419 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 72' ' ' ASN . . . . . . . . . . . . . 45.1 t-20 -63.19 -41.33 99.18 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 115.305 -0.861 . . . . 0.0 109.765 178.36 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 79.4 tttt -67.38 -35.84 80.15 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 115.66 -0.7 . . . . 0.0 111.066 -179.64 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -57.92 -45.3 86.76 Favored 'General case' 0 CA--C 1.518 -0.272 0 N-CA-C 110.301 -0.259 . . . . 0.0 110.301 177.631 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 47.6 ttt-85 -58.18 -47.94 81.84 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.699 177.765 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 50.0 mtt180 -65.35 -34.66 78.85 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.085 -0.507 . . . . 0.0 111.736 -178.309 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 77' ' ' ARG . . . . . 0.556 ' O ' HG21 ' A' ' 81' ' ' VAL . 10.7 mmt-85 -80.45 -31.33 37.47 Favored 'General case' 0 C--N 1.324 -0.532 0 C-N-CA 120.76 -0.376 . . . . 0.0 111.159 -178.926 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 78' ' ' CYS . . . . . . . . . . . . . 72.6 m -65.81 -41.32 92.03 Favored 'General case' 0 C--N 1.328 -0.364 0 N-CA-C 109.07 -0.715 . . . . 0.0 109.07 170.658 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . -60.19 -37.7 93.33 Favored Glycine 0 N--CA 1.449 -0.464 0 CA-C-N 115.652 -0.704 . . . . 0.0 111.921 174.781 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 5.5 tp10 -61.68 -39.02 89.95 Favored 'General case' 0 CA--C 1.533 0.31 0 CA-C-O 120.861 0.363 . . . . 0.0 110.411 175.227 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 81' ' ' VAL . . . . . 0.556 HG21 ' O ' ' A' ' 77' ' ' ARG . 46.9 t -68.26 -45.24 83.09 Favored 'Isoleucine or valine' 0 C--O 1.233 0.209 0 CA-C-N 116.476 -0.329 . . . . 0.0 110.313 177.098 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 82' ' ' PHE . . . . . 0.498 ' O ' HG13 ' A' ' 86' ' ' ILE . 35.0 m-85 -58.16 -45.54 87.27 Favored 'General case' 0 N--CA 1.465 0.276 0 CA-C-O 121.083 0.468 . . . . 0.0 109.956 174.948 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 83' ' ' ARG . . . . . 0.433 ' O ' HG22 ' A' ' 87' ' ' VAL . 43.9 ttt-85 -54.55 -51.18 66.01 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 115.316 -0.856 . . . . 0.0 110.62 177.048 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 84' ' ' TYR . . . . . . . . . . . . . 63.4 t80 -58.76 -43.06 90.23 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 115.609 -0.723 . . . . 0.0 110.577 177.995 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 85' ' ' ALA . . . . . 0.439 ' HB3' HD11 ' A' ' 47' ' ' ILE . . . -65.22 -40.22 93.8 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 116.058 -0.519 . . . . 0.0 111.556 -179.061 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 86' ' ' ILE . . . . . 0.498 HG13 ' O ' ' A' ' 82' ' ' PHE . 67.7 mt -62.18 -47.39 93.35 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.391 0 CA-C-O 120.773 0.32 . . . . 0.0 110.307 177.43 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 87' ' ' VAL . . . . . 0.433 HG22 ' O ' ' A' ' 83' ' ' ARG . 85.5 t -62.26 -32.83 56.08 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.378 0 CA-C-N 115.957 -0.565 . . . . 0.0 110.985 179.534 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 88' ' ' THR . . . . . . . . . . . . . 31.1 p -91.63 9.46 32.18 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-N 116.265 -0.425 . . . . 0.0 111.285 -179.171 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . 68.27 27.7 73.62 Favored Glycine 0 C--N 1.334 0.452 0 CA-C-N 116.049 -0.523 . . . . 0.0 113.865 173.944 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 54.9 mtm180 -111.53 -13.2 13.86 Favored 'General case' 0 C--N 1.323 -0.574 0 CA-C-N 116.87 0.335 . . . . 0.0 111.483 179.72 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . -122.34 111.29 16.71 Favored 'General case' 0 C--N 1.323 -0.566 0 CA-C-O 120.938 0.399 . . . . 0.0 110.711 177.88 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 64.3 tttm -90.42 -23.44 21.04 Favored 'General case' 0 C--N 1.323 -0.582 0 CA-C-N 115.83 -0.623 . . . . 0.0 110.092 178.106 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 93' ' ' TYR . . . . . . . . . . . . . 71.5 t80 -147.28 145.37 29.37 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 115.738 -0.665 . . . . 0.0 109.781 179.003 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 94' ' ' ASN . . . . . 0.448 ' HA ' ' HD3' ' A' ' 95' ' ' PRO . 31.6 p30 -130.77 146.53 62.37 Favored Pre-proline 0 N--CA 1.452 -0.327 0 CA-C-O 120.984 0.421 . . . . 0.0 110.461 176.37 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 95' ' ' PRO . . . . . 0.448 ' HD3' ' HA ' ' A' ' 94' ' ' ASN . 1.8 Cg_endo -86.1 25.39 0.69 Allowed 'Trans proline' 0 N--CA 1.457 -0.631 0 C-N-CA 123.284 2.656 . . . . 0.0 111.975 177.855 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 96' ' ' ALA . . . . . 0.428 ' HB3' ' HD3' ' A' ' 97' ' ' PRO . . . -61.37 -54.26 54.48 Favored Pre-proline 0 CA--C 1.539 0.553 0 N-CA-C 112.597 0.591 . . . . 0.0 112.597 -175.252 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 97' ' ' PRO . . . . . 0.428 ' HD3' ' HB3' ' A' ' 96' ' ' ALA . 56.5 Cg_endo -71.98 -28.99 15.56 Favored 'Trans proline' 0 C--N 1.354 0.831 0 C-N-CA 121.567 1.511 . . . . 0.0 111.949 178.493 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 28.7 t70 -72.73 -31.86 65.28 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-N 115.768 -0.651 . . . . 0.0 110.437 -177.588 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 99' ' ' LEU . . . . . 0.47 ' HB2' HD22 ' A' ' 55' ' ' LEU . 3.2 tm? -61.4 -39.99 92.75 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 115.94 -0.573 . . . . 0.0 109.794 175.073 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 100' ' ' ALA . . . . . . . . . . . . . . . -64.15 -40.21 95.66 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 115.638 -0.71 . . . . 0.0 110.589 179.505 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 18.7 t70 -67.7 -36.93 81.55 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 115.528 -0.76 . . . . 0.0 110.345 179.079 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -63.71 -55.64 21.76 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 115.89 -0.595 . . . . 0.0 110.767 177.759 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 103' ' ' MET . . . . . 0.496 ' HE2' HG21 ' A' ' 59' ' ' ILE . 44.2 ttm -50.29 -42.89 53.13 Favored 'General case' 0 N--CA 1.465 0.285 0 CA-C-O 120.841 0.353 . . . . 0.0 111.405 175.506 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 104' ' ' LYS . . . . . . . . . . . . . 79.6 tttt -57.09 -48.48 78.5 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 115.889 -0.596 . . . . 0.0 111.448 179.746 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 105' ' ' GLY . . . . . . . . . . . . . . . -89.82 5.09 83.62 Favored Glycine 0 N--CA 1.45 -0.397 0 C-N-CA 120.972 -0.632 . . . . 0.0 112.946 -176.004 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 106' ' ' TYR . . . . . . . . . . . . . 76.5 t80 -67.39 -41.42 85.01 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.74 0.27 . . . . 0.0 111.246 -177.133 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 107' ' ' ARG . . . . . . . . . . . . . 44.6 mtm-85 -64.29 -35.06 79.61 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.273 -0.421 . . . . 0.0 111.412 -176.182 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 108' ' ' LYS . . . . . . . . . . . . . 60.2 mttp 58.52 47.64 13.15 Favored 'General case' 0 N--CA 1.465 0.283 0 O-C-N 123.376 0.423 . . . . 0.0 111.202 174.891 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 109' ' ' LYS . . . . . . . . . . . . . 51.6 tttp -74.28 89.37 2.05 Favored 'General case' 0 C--N 1.326 -0.418 0 N-CA-C 109.312 -0.625 . . . . 0.0 109.312 177.223 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 110' ' ' ASN . . . . . . . . . . . . . 90.7 m-20 -83.51 134.04 34.86 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-N 115.417 -0.81 . . . . 0.0 111.761 -172.351 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 111' ' ' LEU . . . . . . . . . . . . . 84.6 mt -89.65 -160.46 0.68 Allowed 'General case' 0 C--N 1.322 -0.599 0 CA-C-N 115.41 -0.813 . . . . 0.0 108.863 172.794 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 112' ' ' GLU . . . . . . . . . . . . . 31.5 mt-10 -85.87 160.65 19.37 Favored 'General case' 0 C--N 1.321 -0.645 0 C-N-CA 120.79 -0.364 . . . . 0.0 110.046 175.64 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 113' ' ' HIS . . . . . . . . . . . . . 63.0 t60 -90.81 9.76 28.88 Favored 'General case' 0 C--N 1.325 -0.473 0 N-CA-C 108.664 -0.865 . . . . 0.0 108.664 173.327 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 114' ' ' HIS . . . . . . . . . . . . . 28.5 m170 -87.55 174.77 8.27 Favored 'General case' 0 C--N 1.323 -0.563 0 CA-C-N 114.98 -1.009 . . . . 0.0 108.764 173.786 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 115' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -145.95 5.54 1.0 Allowed 'General case' 0 C--N 1.322 -0.618 0 C-N-CA 120.295 -0.562 . . . . 0.0 111.221 173.301 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 116' ' ' HIS . . . . . . . . . . . . . 44.3 t60 -76.63 -31.71 57.57 Favored 'General case' 0 C--N 1.326 -0.415 0 N-CA-C 108.455 -0.943 . . . . 0.0 108.455 169.956 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 117' ' ' HIS . . . . . . . . . . . . . 46.3 m170 -87.57 156.95 19.28 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 115.295 -0.866 . . . . 0.0 109.667 170.955 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 118' ' ' HIS . . . . . . . . . . . . . 12.8 t60 . . . . . 0 C--O 1.25 1.106 0 CA-C-O 117.906 -1.045 . . . . 0.0 110.624 174.742 . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 1' ' ' SER . . . . . 0.426 ' C ' ' HG ' ' A' ' 2' ' ' SER . 31.3 t . . . . . 0 N--CA 1.477 0.876 0 N-CA-C 110.164 -0.31 . . . . 0.0 110.164 . . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 2' ' ' SER . . . . . 0.426 ' HG ' ' C ' ' A' ' 1' ' ' SER . 37.7 m -158.51 165.51 34.39 Favored 'General case' 0 C--N 1.328 -0.343 0 N-CA-C 109.759 -0.46 . . . . 0.0 109.759 178.089 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 3' ' ' ASN . . . . . . . . . . . . . 94.7 m-20 -84.6 -36.14 22.25 Favored 'General case' 0 C--N 1.329 -0.299 0 N-CA-C 108.581 -0.896 . . . . 0.0 108.581 172.285 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 4' ' ' ASN . . . . . . . . . . . . . 11.6 t-20 70.17 92.13 0.09 Allowed 'General case' 0 C--O 1.233 0.222 0 CA-C-N 114.354 -1.294 . . . . 0.0 111.756 171.562 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 5' ' ' ASN . . . . . 0.451 ' OD1' ' HD3' ' A' ' 90' ' ' ARG . 57.6 t30 -111.42 18.68 18.95 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-O 121.476 0.655 . . . . 0.0 109.437 175.329 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 4.2 m -65.28 143.76 57.58 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 115.263 -0.881 . . . . 0.0 110.554 -179.445 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 7' ' ' PHE . . . . . . . . . . . . . 45.4 t80 -57.3 -41.87 80.67 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 116.02 -0.537 . . . . 0.0 110.443 179.593 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 39.7 t -59.31 -36.21 75.22 Favored 'General case' 0 CA--C 1.531 0.231 0 CA-C-N 116.379 -0.373 . . . . 0.0 111.634 179.852 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -67.07 -51.14 58.19 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-O 120.97 0.414 . . . . 0.0 110.836 -177.813 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 64.3 mt -67.56 -33.55 62.86 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 CA-C-N 115.829 -0.623 . . . . 0.0 110.175 178.955 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 4.5 t80 -59.17 -47.13 86.44 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 115.967 -0.56 . . . . 0.0 111.133 175.626 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 86.3 tttt -66.7 -36.35 82.28 Favored 'General case' 0 C--N 1.329 -0.316 0 C-N-CA 120.599 -0.44 . . . . 0.0 110.755 -178.999 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 23.9 mm-40 -61.74 -52.9 62.34 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 120.961 0.41 . . . . 0.0 109.949 174.038 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 14' ' ' TRP . . . . . . . . . . . . . 57.5 t90 -54.47 -46.38 73.34 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 115.491 -0.777 . . . . 0.0 110.345 176.955 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 15' ' ' TYR . . . . . . . . . . . . . 40.7 t80 -56.77 -55.41 34.64 Favored 'General case' 0 N--CA 1.45 -0.45 0 CA-C-N 115.533 -0.758 . . . . 0.0 110.998 178.762 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 17.4 tp10 -58.84 -30.27 67.56 Favored 'General case' 0 CA--C 1.53 0.208 0 CA-C-O 120.791 0.329 . . . . 0.0 111.203 -176.287 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 17' ' ' HIS . . . . . . . . . . . . . 42.7 m-70 -71.57 -52.36 18.55 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.767 0.317 . . . . 0.0 110.693 178.382 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 18' ' ' LYS . . . . . 0.438 ' HA ' ' HD2' ' A' ' 18' ' ' LYS . 9.1 mmmm -77.39 -12.33 59.94 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 121.144 0.497 . . . . 0.0 110.797 -177.17 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 40.7 tttm -67.04 -20.89 65.91 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-N 115.47 -0.786 . . . . 0.0 110.433 176.22 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 97.1 mt-30 -87.65 -13.64 42.13 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-N 115.994 -0.548 . . . . 0.0 110.379 175.911 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 60.4 t -88.2 -51.45 12.51 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.536 0 CA-C-N 115.778 -0.646 . . . . 0.0 110.373 179.272 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 22' ' ' TRP . . . . . . . . . . . . . 6.1 m0 -85.99 168.18 14.37 Favored 'General case' 0 C--N 1.323 -0.584 0 CA-C-N 115.711 -0.677 . . . . 0.0 110.0 179.956 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 18.1 m -73.5 147.75 43.76 Favored 'General case' 0 C--N 1.322 -0.589 0 N-CA-C 109.207 -0.664 . . . . 0.0 109.207 175.414 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 42.8 t -56.85 -42.19 77.52 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 N-CA-C 111.754 0.279 . . . . 0.0 111.754 -175.705 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -62.37 -37.42 94.59 Favored Glycine 0 N--CA 1.453 -0.211 0 C-N-CA 120.942 -0.647 . . . . 0.0 111.899 178.344 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 26' ' ' TYR . . . . . . . . . . . . . 77.3 t80 -74.36 -44.05 53.92 Favored 'General case' 0 C--N 1.325 -0.493 0 N-CA-C 110.076 -0.342 . . . . 0.0 110.076 178.374 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -61.32 -43.71 98.42 Favored 'General case' 0 N--CA 1.454 -0.251 0 CA-C-N 116.075 -0.511 . . . . 0.0 110.794 -179.605 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 39.5 m -64.13 -40.66 96.66 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.949 179.587 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 33.6 tt0 -68.97 -43.48 74.86 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 121.039 0.447 . . . . 0.0 110.793 179.764 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 10.1 tt -60.01 -42.68 94.85 Favored 'General case' 0 C--O 1.237 0.416 0 CA-C-N 116.042 -0.527 . . . . 0.0 109.951 177.67 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -68.98 -36.92 78.41 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 115.64 -0.709 . . . . 0.0 110.914 178.615 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 27.2 tptp -56.32 -44.88 80.39 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 120.696 0.284 . . . . 0.0 110.838 179.879 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 33' ' ' MET . . . . . . . . . . . . . 46.7 ttp -68.75 -42.86 76.97 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.988 178.297 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 34' ' ' PHE . . . . . 0.44 ' HA ' HD12 ' A' ' 38' ' ' ILE . 12.5 t80 -67.48 -47.87 68.8 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.191 -177.291 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 35' ' ' ASP . . . . . 0.694 ' HA ' HD23 ' A' ' 39' ' ' LEU . 0.9 OUTLIER -58.98 -54.63 44.93 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.297 -0.41 . . . . 0.0 111.308 178.905 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 33.4 t70 -66.51 -23.87 66.31 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-N 116.283 -0.417 . . . . 0.0 111.825 -172.655 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 37' ' ' ASP . . . . . 0.595 ' HA ' ' NH1' ' A' ' 61' ' ' ARG . 4.1 m-20 -97.17 -58.03 2.12 Favored 'General case' 0 C--N 1.328 -0.333 0 N-CA-C 112.51 0.559 . . . . 0.0 112.51 179.999 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 38' ' ' ILE . . . . . 0.44 HD12 ' HA ' ' A' ' 34' ' ' PHE . 2.1 mp -69.91 -38.72 76.34 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.567 0 N-CA-C 111.953 0.353 . . . . 0.0 111.953 -171.994 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 39' ' ' LEU . . . . . 0.694 HD23 ' HA ' ' A' ' 35' ' ' ASP . 2.7 mm? -60.56 -52.37 73.27 Favored Pre-proline 0 C--N 1.327 -0.409 0 N-CA-C 112.936 0.717 . . . . 0.0 112.936 -173.753 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 42.4 Cg_exo -59.52 -22.83 68.27 Favored 'Trans proline' 0 C--N 1.35 0.609 0 C-N-CA 122.074 1.849 . . . . 0.0 112.536 177.615 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 41' ' ' ILE . . . . . 0.597 HG22 HG22 ' A' ' 42' ' ' ILE . 23.4 mm -90.71 -67.25 0.79 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.382 0 CA-C-N 116.393 -0.367 . . . . 0.0 110.919 -178.022 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 42' ' ' ILE . . . . . 0.597 HG22 HG22 ' A' ' 41' ' ' ILE . 9.2 pt -124.37 8.45 4.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 N-CA-C 112.287 0.477 . . . . 0.0 112.287 -173.241 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 43' ' ' GLY . . . . . 0.531 ' HA3' ' HA ' ' A' ' 39' ' ' LEU . . . -57.74 -40.5 92.91 Favored Glycine 0 C--O 1.234 0.132 0 C-N-CA 120.973 -0.632 . . . . 0.0 113.381 -174.924 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -93.06 13.53 67.45 Favored Glycine 0 N--CA 1.446 -0.645 0 C-N-CA 120.83 -0.7 . . . . 0.0 112.498 -177.604 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 45' ' ' LEU . . . . . 0.433 HD11 HG23 ' A' ' 42' ' ' ILE . 88.3 mt -97.85 149.98 21.78 Favored 'General case' 0 C--N 1.326 -0.433 0 N-CA-C 110.102 -0.333 . . . . 0.0 110.102 179.176 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 46' ' ' GLU . . . . . 0.466 ' O ' HG13 ' A' ' 50' ' ' ILE . 45.2 mt-10 -77.67 139.33 39.43 Favored 'General case' 0 C--N 1.324 -0.516 0 N-CA-C 109.819 -0.437 . . . . 0.0 109.819 179.1 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 47' ' ' ILE . . . . . 0.451 HD12 ' HB3' ' A' ' 85' ' ' ALA . 13.3 tt -62.81 -21.16 27.09 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.606 0 CA-C-N 115.875 -0.602 . . . . 0.0 112.612 -169.888 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 95.3 mt-30 -87.69 -18.23 30.0 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.679 0.276 . . . . 0.0 111.386 178.293 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 1.5 m-20 -125.07 32.62 5.36 Favored 'General case' 0 C--N 1.322 -0.621 0 CA-C-O 121.037 0.446 . . . . 0.0 111.65 -169.444 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 50' ' ' ILE . . . . . 0.466 HG13 ' O ' ' A' ' 46' ' ' GLU . 74.7 mt -83.25 129.7 37.02 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.565 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.398 177.175 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 9.4 mm-40 -69.58 126.67 92.74 Favored Pre-proline 0 C--N 1.325 -0.499 0 CA-C-N 115.922 -0.581 . . . . 0.0 110.611 179.628 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 52' ' ' PRO . . . . . . . . . . . . . 50.8 Cg_exo -54.29 -44.77 46.4 Favored 'Trans proline' 0 C--N 1.342 0.205 0 C-N-CA 122.985 2.456 . . . . 0.0 112.643 179.335 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 53' ' ' MET . . . . . 0.561 ' HG3' ' HE2' ' A' ' 106' ' ' TYR . 50.7 ttp -68.56 -25.84 65.11 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 121.001 0.429 . . . . 0.0 110.698 -178.95 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 54' ' ' GLN . . . . . 0.476 ' O ' ' HB3' ' A' ' 57' ' ' GLU . 28.0 tt0 -80.45 -32.35 37.24 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-O 121.482 0.658 . . . . 0.0 109.602 179.016 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 40.2 tp -66.62 -32.42 73.73 Favored 'General case' 0 C--N 1.325 -0.465 0 N-CA-C 108.958 -0.756 . . . . 0.0 108.958 171.633 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 56' ' ' LEU . . . . . 0.466 HD11 ' O ' ' A' ' 56' ' ' LEU . 2.1 tm? -67.43 -35.2 78.77 Favored 'General case' 0 C--O 1.221 -0.403 0 CA-C-N 115.31 -0.859 . . . . 0.0 109.277 174.052 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 57' ' ' GLU . . . . . 0.476 ' HB3' ' O ' ' A' ' 54' ' ' GLN . 9.1 tp10 -55.96 -38.56 70.53 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.557 -0.292 . . . . 0.0 110.26 176.444 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 96.0 t -61.94 -55.78 21.96 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.326 0 CA-C-O 121.077 0.465 . . . . 0.0 110.997 174.441 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 59' ' ' ILE . . . . . 0.493 HG22 ' HE3' ' A' ' 103' ' ' MET . 1.7 mp -58.89 -40.93 81.48 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.36 0 CA-C-O 121.196 0.522 . . . . 0.0 110.723 179.828 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 60' ' ' ARG . . . . . 0.423 ' HA ' ' CB ' ' A' ' 63' ' ' GLU . 55.4 ttp85 -75.56 -21.8 57.56 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-N 115.763 -0.653 . . . . 0.0 110.779 -178.341 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 61' ' ' ARG . . . . . 0.595 ' NH1' ' HA ' ' A' ' 37' ' ' ASP . 1.5 ttt180 -59.4 -46.27 89.15 Favored 'General case' 0 C--N 1.331 -0.208 0 N-CA-C 108.492 -0.929 . . . . 0.0 108.492 172.495 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 62' ' ' PHE . . . . . . . . . . . . . 96.8 m-85 -70.63 -37.54 73.78 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 115.245 -0.889 . . . . 0.0 110.939 175.246 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 63' ' ' GLU . . . . . 0.509 ' HA ' ' HE3' ' A' ' 68' ' ' MET . 24.4 tt0 -53.18 -46.58 69.02 Favored 'General case' 0 N--CA 1.468 0.432 0 CA-C-N 116.26 -0.427 . . . . 0.0 111.644 -178.962 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 32.1 t70 -58.4 -29.1 65.81 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.51 -177.299 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 84.6 mtt180 -83.44 -13.06 55.62 Favored 'General case' 0 C--N 1.323 -0.565 0 CA-C-N 115.994 -0.548 . . . . 0.0 110.712 -178.322 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 83.37 9.98 82.81 Favored Glycine 0 N--CA 1.448 -0.564 0 N-CA-C 110.375 -1.09 . . . . 0.0 110.375 -169.823 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -83.59 50.12 1.73 Allowed 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 115.128 -0.536 . . . . 0.0 110.388 -177.753 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 68' ' ' MET . . . . . 0.71 ' HE1' ' HA ' ' A' ' 68' ' ' MET . 1.4 mmt -61.97 -34.77 76.76 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 115.776 -0.647 . . . . 0.0 111.359 -177.659 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 2.4 tm-20 -64.92 -49.23 71.23 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-N 116.129 -0.487 . . . . 0.0 109.982 179.773 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 77.7 mtt180 -74.37 -17.56 60.8 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 116.302 -0.408 . . . . 0.0 111.263 179.292 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -70.74 -40.79 72.52 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.868 0.366 . . . . 0.0 110.151 174.916 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 72' ' ' ASN . . . . . . . . . . . . . 40.1 t30 -62.67 -39.57 94.35 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 115.942 -0.572 . . . . 0.0 109.616 174.744 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 44.6 mttp -60.73 -41.38 95.19 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 115.682 -0.69 . . . . 0.0 110.491 173.916 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -59.75 -50.24 74.59 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.619 -0.264 . . . . 0.0 110.923 179.095 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 41.5 ttt180 -58.51 -48.32 81.19 Favored 'General case' 0 C--N 1.329 -0.322 0 O-C-N 123.389 0.431 . . . . 0.0 111.193 179.345 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 54.9 mtm180 -70.11 -37.31 75.31 Favored 'General case' 0 C--N 1.328 -0.351 0 N-CA-C 112.226 0.454 . . . . 0.0 112.226 -176.014 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 77' ' ' ARG . . . . . 0.433 ' O ' HG23 ' A' ' 81' ' ' VAL . 83.2 mtm180 -64.21 -43.24 95.63 Favored 'General case' 0 C--N 1.328 -0.328 0 C-N-CA 120.886 -0.326 . . . . 0.0 110.173 177.506 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 78' ' ' CYS . . . . . . . . . . . . . 73.6 m -63.57 -40.29 96.58 Favored 'General case' 0 C--N 1.331 -0.208 0 N-CA-C 109.676 -0.49 . . . . 0.0 109.676 175.486 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . -58.14 -37.02 84.8 Favored Glycine 0 N--CA 1.45 -0.405 0 CA-C-N 115.915 -0.584 . . . . 0.0 112.594 176.994 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 22.1 tt0 -71.58 -35.87 70.7 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.71 0.255 . . . . 0.0 110.38 178.444 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 81' ' ' VAL . . . . . 0.433 HG23 ' O ' ' A' ' 77' ' ' ARG . 66.9 t -62.4 -45.07 99.64 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.233 0 N-CA-C 109.707 -0.479 . . . . 0.0 109.707 173.669 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 82' ' ' PHE . . . . . 0.572 ' O ' HG13 ' A' ' 86' ' ' ILE . 29.4 m-85 -59.88 -43.16 94.89 Favored 'General case' 0 C--O 1.227 -0.097 0 CA-C-N 115.926 -0.579 . . . . 0.0 110.192 174.229 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 83' ' ' ARG . . . . . 0.489 ' O ' HG21 ' A' ' 87' ' ' VAL . 36.7 ttp180 -59.13 -43.65 92.0 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 115.994 -0.548 . . . . 0.0 110.523 -179.989 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 84' ' ' TYR . . . . . . . . . . . . . 18.5 t80 -63.85 -34.26 77.53 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-O 121.052 0.453 . . . . 0.0 109.946 179.016 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 85' ' ' ALA . . . . . 0.478 ' HA ' ' OG1' ' A' ' 88' ' ' THR . . . -71.09 -28.49 64.37 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.666 176.826 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 86' ' ' ILE . . . . . 0.572 HG13 ' O ' ' A' ' 82' ' ' PHE . 69.3 mt -72.09 -39.32 65.49 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.585 0 CA-C-O 121.144 0.497 . . . . 0.0 109.785 174.831 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 87' ' ' VAL . . . . . 0.489 HG21 ' O ' ' A' ' 83' ' ' ARG . 68.1 t -67.62 -34.54 68.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 115.637 -0.71 . . . . 0.0 110.851 177.797 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 88' ' ' THR . . . . . 0.478 ' OG1' ' HA ' ' A' ' 85' ' ' ALA . 14.5 p -79.76 -8.68 59.4 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.947 0.403 . . . . 0.0 111.194 177.928 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . 83.86 17.31 65.82 Favored Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.873 -0.679 . . . . 0.0 112.78 176.586 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 90' ' ' ARG . . . . . 0.451 ' HD3' ' OD1' ' A' ' 5' ' ' ASN . 66.0 mtt180 -91.7 -64.45 1.12 Allowed 'General case' 0 C--N 1.326 -0.424 0 CA-C-O 121.084 0.468 . . . . 0.0 110.799 179.927 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . -81.94 118.15 22.73 Favored 'General case' 0 C--N 1.321 -0.67 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.274 -177.335 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 85.5 mttt -100.91 -14.19 18.02 Favored 'General case' 0 C--N 1.32 -0.702 0 CA-C-O 121.513 0.673 . . . . 0.0 110.02 -178.053 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 93' ' ' TYR . . . . . . . . . . . . . 71.4 t80 -147.2 130.25 16.35 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-N 114.945 -1.025 . . . . 0.0 109.323 174.35 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 94' ' ' ASN . . . . . . . . . . . . . 24.7 p-10 -111.96 134.8 21.31 Favored Pre-proline 0 C--N 1.32 -0.715 0 N-CA-C 109.43 -0.582 . . . . 0.0 109.43 175.447 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 95' ' ' PRO . . . . . 0.423 ' O ' ' HB2' ' A' ' 99' ' ' LEU . 72.9 Cg_endo -76.08 29.36 0.39 Allowed 'Trans proline' 0 CA--C 1.528 0.186 0 C-N-CA 122.847 2.365 . . . . 0.0 113.119 -175.29 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 96' ' ' ALA . . . . . 0.522 ' HB1' ' HD3' ' A' ' 97' ' ' PRO . . . -68.01 -48.51 38.95 Favored Pre-proline 0 CA--C 1.541 0.607 0 N-CA-C 112.057 0.391 . . . . 0.0 112.057 -179.145 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 97' ' ' PRO . . . . . 0.522 ' HD3' ' HB1' ' A' ' 96' ' ' ALA . 30.1 Cg_exo -63.28 -42.74 21.04 Favored 'Trans proline' 0 C--N 1.355 0.919 0 C-N-CA 121.962 1.774 . . . . 0.0 112.138 177.072 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 36.7 t70 -66.7 -34.09 77.09 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.508 -179.897 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 99' ' ' LEU . . . . . 0.423 ' HB2' ' O ' ' A' ' 95' ' ' PRO . 2.9 tm? -55.85 -40.47 72.91 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-N 115.818 -0.628 . . . . 0.0 110.05 176.382 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 100' ' ' ALA . . . . . . . . . . . . . . . -66.27 -46.55 76.65 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.868 179.91 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 24.4 t70 -64.14 -40.21 95.67 Favored 'General case' 0 C--O 1.234 0.274 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.973 179.991 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 102' ' ' ALA . . . . . 0.578 ' O ' ' HB2' ' A' ' 106' ' ' TYR . . . -63.44 -44.54 94.25 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-N 115.774 -0.648 . . . . 0.0 110.378 177.383 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 103' ' ' MET . . . . . 0.493 ' HE3' HG22 ' A' ' 59' ' ' ILE . 41.0 ttm -56.72 -46.46 81.27 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.057 -0.519 . . . . 0.0 111.165 178.427 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 104' ' ' LYS . . . . . . . . . . . . . 74.5 mmtt -59.63 -48.08 83.08 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 115.871 -0.604 . . . . 0.0 111.377 -178.252 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 105' ' ' GLY . . . . . . . . . . . . . . . -87.29 7.95 78.75 Favored Glycine 0 N--CA 1.45 -0.42 0 C-N-CA 120.836 -0.697 . . . . 0.0 112.812 -177.428 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 106' ' ' TYR . . . . . 0.578 ' HB2' ' O ' ' A' ' 102' ' ' ALA . 3.0 t80 -91.07 -27.87 18.31 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-O 121.04 0.448 . . . . 0.0 110.521 -177.244 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 107' ' ' ARG . . . . . . . . . . . . . 90.4 mtt180 -95.37 10.69 35.38 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-N 116.033 -0.53 . . . . 0.0 111.05 -176.851 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 108' ' ' LYS . . . . . . . . . . . . . 62.6 tttm 58.05 84.54 0.1 Allowed 'General case' 0 N--CA 1.465 0.28 0 CA-C-N 115.712 -0.676 . . . . 0.0 112.036 175.895 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 109' ' ' LYS . . . . . . . . . . . . . 64.1 mttm -141.1 110.31 6.24 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 115.822 -0.627 . . . . 0.0 109.887 175.115 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 110' ' ' ASN . . . . . . . . . . . . . 20.0 m120 -81.79 142.38 32.65 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.326 179.201 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 111' ' ' LEU . . . . . . . . . . . . . 63.0 tp -71.39 -65.12 0.79 Allowed 'General case' 0 C--N 1.323 -0.544 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.196 -175.98 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 112' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -94.51 153.74 17.75 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-O 120.913 0.387 . . . . 0.0 110.005 -178.306 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 113' ' ' HIS . . . . . . . . . . . . . 53.7 m80 -95.28 102.94 14.78 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-N 116.291 -0.413 . . . . 0.0 109.966 179.978 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 114' ' ' HIS . . . . . . . . . . . . . 25.5 m170 -63.43 -42.15 98.68 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-O 120.917 0.389 . . . . 0.0 110.338 179.504 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 115' ' ' HIS . . . . . . . . . . . . . 31.9 m-70 -91.45 101.76 14.43 Favored 'General case' 0 N--CA 1.449 -0.481 0 N-CA-C 108.938 -0.764 . . . . 0.0 108.938 169.169 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 116' ' ' HIS . . . . . . . . . . . . . 93.1 m-70 -72.32 112.28 8.25 Favored 'General case' 0 C--N 1.32 -0.676 0 CA-C-N 115.337 -0.847 . . . . 0.0 110.203 -175.9 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 117' ' ' HIS . . . . . . . . . . . . . 34.1 t-80 -79.94 139.2 37.16 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-N 115.861 -0.609 . . . . 0.0 109.633 -179.203 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 118' ' ' HIS . . . . . . . . . . . . . 4.4 p80 . . . . . 0 C--O 1.246 0.89 0 CA-C-O 118.451 -0.785 . . . . 0.0 109.758 -178.851 . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 38.7 m . . . . . 0 N--CA 1.476 0.858 0 CA-C-O 120.628 0.251 . . . . 0.0 110.45 . . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 13.4 t -96.67 -149.04 0.31 Allowed 'General case' 0 C--N 1.323 -0.554 0 N-CA-C 108.834 -0.802 . . . . 0.0 108.834 175.665 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 3' ' ' ASN . . . . . . . . . . . . . 51.8 t-20 -69.52 90.98 0.56 Allowed 'General case' 0 C--N 1.327 -0.391 0 N-CA-C 109.524 -0.547 . . . . 0.0 109.524 174.611 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 4' ' ' ASN . . . . . . . . . . . . . 15.0 p30 -93.02 19.88 7.35 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-N 115.774 -0.648 . . . . 0.0 110.818 -179.99 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 5' ' ' ASN . . . . . 0.472 ' N ' HD21 ' A' ' 5' ' ' ASN . 0.9 OUTLIER -85.67 -2.54 58.29 Favored 'General case' 0 C--N 1.328 -0.355 0 N-CA-C 109.209 -0.664 . . . . 0.0 109.209 174.464 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 19.9 m -69.03 143.41 54.32 Favored 'General case' 0 N--CA 1.449 -0.484 0 CA-C-N 115.192 -0.913 . . . . 0.0 109.723 174.244 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 7' ' ' PHE . . . . . . . . . . . . . 35.4 t80 -58.68 -42.24 88.07 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 116.457 -0.338 . . . . 0.0 111.58 -174.907 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 23.0 t -62.03 -31.98 72.44 Favored 'General case' 0 C--O 1.234 0.259 0 CA-C-O 120.85 0.357 . . . . 0.0 111.338 -178.601 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -70.87 -47.06 61.28 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.995 0.426 . . . . 0.0 110.76 -178.647 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 81.0 mt -70.38 -33.79 55.47 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.437 0 CA-C-N 116.079 -0.51 . . . . 0.0 110.374 178.627 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 1.2 t80 -56.61 -40.52 75.5 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.442 173.2 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 18.2 tptm -66.26 -42.01 89.09 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-O 120.793 0.33 . . . . 0.0 110.54 -178.996 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 9.9 tp10 -63.41 -46.54 85.91 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 121.233 0.539 . . . . 0.0 109.74 176.623 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 14' ' ' TRP . . . . . . . . . . . . . 60.3 t90 -57.67 -50.54 72.84 Favored 'General case' 0 C--O 1.237 0.409 0 CA-C-N 115.308 -0.86 . . . . 0.0 110.665 177.32 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 15' ' ' TYR . . . . . 0.486 ' CE1' ' HB3' ' A' ' 31' ' ' ALA . 34.8 t80 -58.57 -47.6 83.73 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 115.97 -0.559 . . . . 0.0 111.276 -179.397 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 42.0 tt0 -58.93 -38.19 78.42 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.732 0.301 . . . . 0.0 111.497 -175.821 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 17' ' ' HIS . . . . . . . . . . . . . 12.3 m170 -73.81 -46.96 42.05 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 116.601 -0.272 . . . . 0.0 110.856 -178.634 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 33.1 mmtm -68.39 -24.51 64.78 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-O 120.874 0.369 . . . . 0.0 110.951 178.793 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 64.2 tttm -63.75 -23.61 67.43 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 115.916 -0.584 . . . . 0.0 110.997 179.857 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 45.5 mm-40 -89.47 -6.29 56.59 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-O 121.07 0.462 . . . . 0.0 110.099 -179.688 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 48.9 t -104.04 -45.27 9.54 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 CA-C-N 115.84 -0.618 . . . . 0.0 110.448 -179.089 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 22' ' ' TRP . . . . . . . . . . . . . 26.3 m0 -80.86 179.47 7.82 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-N 115.79 -0.641 . . . . 0.0 110.764 -179.579 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 6.9 m -81.83 148.79 28.65 Favored 'General case' 0 C--N 1.323 -0.566 0 CA-C-N 115.849 -0.614 . . . . 0.0 109.364 175.052 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 11.3 p -56.27 -40.81 68.04 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.396 0 N-CA-C 111.64 0.237 . . . . 0.0 111.64 -178.112 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -69.19 -47.82 50.32 Favored Glycine 0 N--CA 1.449 -0.47 0 C-N-CA 120.655 -0.783 . . . . 0.0 111.773 179.044 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 26' ' ' TYR . . . . . . . . . . . . . 65.1 t80 -56.87 -43.71 81.51 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.851 0.358 . . . . 0.0 110.383 177.528 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -66.57 -46.58 75.53 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 115.85 -0.614 . . . . 0.0 111.371 -179.433 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 32.8 m -63.99 -39.45 94.15 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-O 120.883 0.373 . . . . 0.0 110.887 -179.606 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 39.0 tt0 -65.03 -47.9 75.78 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-O 121.203 0.525 . . . . 0.0 110.358 178.483 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 8.1 tt -62.89 -45.34 93.01 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 115.476 -0.784 . . . . 0.0 110.36 -179.491 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 31' ' ' ALA . . . . . 0.486 ' HB3' ' CE1' ' A' ' 15' ' ' TYR . . . -63.37 -34.47 77.8 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.021 -0.536 . . . . 0.0 111.626 -178.495 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 32' ' ' LYS . . . . . 0.401 ' HA ' ' HD2' ' A' ' 32' ' ' LYS . 46.0 tptt -69.9 -39.8 76.02 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.814 0.34 . . . . 0.0 110.52 179.132 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 33' ' ' MET . . . . . 0.418 ' HE3' ' HB3' ' A' ' 33' ' ' MET . 12.5 tmm? -62.37 -48.87 77.88 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.005 -0.543 . . . . 0.0 110.065 176.76 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 34' ' ' PHE . . . . . 0.437 ' CG ' HD12 ' A' ' 38' ' ' ILE . 3.1 t80 -62.63 -38.78 91.58 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 115.806 -0.634 . . . . 0.0 109.985 179.117 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 35' ' ' ASP . . . . . 0.551 ' O ' ' HD3' ' A' ' 40' ' ' PRO . 14.9 t70 -62.56 -66.39 0.55 Allowed 'General case' 0 C--N 1.323 -0.565 0 CA-C-N 115.291 -0.868 . . . . 0.0 111.691 -178.851 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 26.7 t70 -66.69 -30.08 70.24 Favored 'General case' 0 C--O 1.237 0.442 0 CA-C-N 115.803 -0.635 . . . . 0.0 112.497 -169.316 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 37' ' ' ASP . . . . . 0.578 ' HA ' ' NH1' ' A' ' 61' ' ' ARG . 50.0 m-20 -98.38 -43.79 6.79 Favored 'General case' 0 C--N 1.322 -0.595 0 N-CA-C 112.789 0.663 . . . . 0.0 112.789 -174.079 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 38' ' ' ILE . . . . . 0.448 HG12 ' CG1' ' A' ' 58' ' ' VAL . 20.9 mt -91.68 -39.86 11.91 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.616 0 N-CA-C 112.208 0.447 . . . . 0.0 112.208 -171.628 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 39' ' ' LEU . . . . . 0.415 ' HB2' ' O ' ' A' ' 35' ' ' ASP . 43.6 mt -65.31 -41.06 48.93 Favored Pre-proline 0 CA--C 1.54 0.594 0 N-CA-C 113.612 0.967 . . . . 0.0 113.612 -173.559 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 40' ' ' PRO . . . . . 0.551 ' HD3' ' O ' ' A' ' 35' ' ' ASP . 23.4 Cg_exo -67.52 -9.9 26.91 Favored 'Trans proline' 0 C--N 1.35 0.633 0 C-N-CA 121.725 1.617 . . . . 0.0 112.745 176.693 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 41' ' ' ILE . . . . . 0.558 HG22 HG23 ' A' ' 42' ' ' ILE . 19.6 mm -96.93 -54.13 7.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.686 -0.233 . . . . 0.0 111.066 -178.935 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 42' ' ' ILE . . . . . 0.558 HG23 HG22 ' A' ' 41' ' ' ILE . 15.2 pt -131.16 9.56 1.88 Allowed 'Isoleucine or valine' 0 C--N 1.332 -0.195 0 N-CA-C 112.343 0.497 . . . . 0.0 112.343 -176.246 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -61.44 -36.87 93.18 Favored Glycine 0 N--CA 1.453 -0.181 0 C-N-CA 120.769 -0.729 . . . . 0.0 112.536 -175.226 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -94.04 12.61 68.9 Favored Glycine 0 N--CA 1.446 -0.662 0 C-N-CA 120.753 -0.737 . . . . 0.0 112.513 -178.874 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 45' ' ' LEU . . . . . 0.462 HD12 ' HA ' ' A' ' 42' ' ' ILE . 93.1 mt -96.23 151.53 19.41 Favored 'General case' 0 C--N 1.326 -0.431 0 N-CA-C 110.105 -0.331 . . . . 0.0 110.105 178.231 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 48.8 mt-10 -74.38 132.96 42.46 Favored 'General case' 0 C--N 1.325 -0.487 0 N-CA-C 108.907 -0.775 . . . . 0.0 108.907 178.336 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 18.6 tt -62.87 -17.51 19.32 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.647 0 CA-C-O 121.043 0.449 . . . . 0.0 111.494 -174.748 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 79.1 mt-30 -86.32 -20.47 28.3 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.836 179.249 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 21.8 t70 -140.05 86.47 2.09 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-O 121.284 0.564 . . . . 0.0 111.063 -178.981 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 50' ' ' ILE . . . . . . . . . . . . . 75.9 mt -115.05 136.68 50.99 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.818 0 CA-C-N 115.353 -0.84 . . . . 0.0 109.951 175.527 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 1.5 tm-20 -66.19 124.72 88.68 Favored Pre-proline 0 C--N 1.325 -0.487 0 CA-C-N 115.973 -0.558 . . . . 0.0 109.911 -179.644 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 52' ' ' PRO . . . . . . . . . . . . . 52.4 Cg_exo -53.34 -39.06 82.65 Favored 'Trans proline' 0 C--O 1.232 0.198 0 C-N-CA 123.021 2.481 . . . . 0.0 112.556 179.985 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 53' ' ' MET . . . . . . . . . . . . . 90.3 mtp -74.97 -20.6 59.6 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.49 -0.323 . . . . 0.0 111.125 -177.615 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 59.1 mt-30 -83.22 -43.87 15.63 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.518 -0.31 . . . . 0.0 110.884 177.657 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 55' ' ' LEU . . . . . 0.419 ' O ' ' HB ' ' A' ' 58' ' ' VAL . 54.0 tp -61.74 -40.15 94.1 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-O 121.646 0.736 . . . . 0.0 109.412 176.01 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 56' ' ' LEU . . . . . 0.572 HD13 ' HG3' ' A' ' 60' ' ' ARG . 2.4 tm? -68.04 -31.08 70.49 Favored 'General case' 0 C--N 1.323 -0.566 0 CA-C-N 115.357 -0.838 . . . . 0.0 109.963 176.337 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 11.1 tt0 -73.32 -20.92 60.68 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-O 120.55 0.214 . . . . 0.0 110.684 178.146 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 58' ' ' VAL . . . . . 0.508 ' O ' ' HB3' ' A' ' 61' ' ' ARG . 77.1 t -63.7 -55.17 24.14 Favored 'Isoleucine or valine' 0 C--O 1.238 0.474 0 N-CA-C 108.779 -0.823 . . . . 0.0 108.779 168.659 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 59' ' ' ILE . . . . . 0.509 HG21 ' HE3' ' A' ' 103' ' ' MET . 1.7 mp -56.37 -39.71 62.43 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.633 0 CA-C-N 114.791 -1.095 . . . . 0.0 110.483 176.295 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 60' ' ' ARG . . . . . 0.572 ' HG3' HD13 ' A' ' 56' ' ' LEU . 26.5 mtp180 -76.42 -20.77 56.76 Favored 'General case' 0 C--N 1.332 -0.187 0 N-CA-C 111.943 0.349 . . . . 0.0 111.943 -179.652 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 61' ' ' ARG . . . . . 0.578 ' NH1' ' HA ' ' A' ' 37' ' ' ASP . 14.8 tpt180 -57.69 -40.25 79.03 Favored 'General case' 0 C--N 1.328 -0.343 0 N-CA-C 108.425 -0.954 . . . . 0.0 108.425 171.195 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 62' ' ' PHE . . . . . . . . . . . . . 93.0 m-85 -79.58 -38.28 34.4 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 115.128 -0.942 . . . . 0.0 111.351 174.814 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 63' ' ' GLU . . . . . 0.533 ' HB3' ' HA ' ' A' ' 60' ' ' ARG . 40.4 tt0 -59.02 -56.86 16.77 Favored 'General case' 0 N--CA 1.469 0.496 0 N-CA-C 112.004 0.372 . . . . 0.0 112.004 -176.917 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 3.6 m-20 -59.57 -29.01 67.65 Favored 'General case' 0 N--CA 1.464 0.256 0 CA-C-O 120.973 0.416 . . . . 0.0 110.914 -178.49 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 40.0 ttm180 -73.46 -32.61 64.44 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-N 115.779 -0.646 . . . . 0.0 111.094 -179.944 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 101.89 17.74 19.97 Favored Glycine 0 N--CA 1.449 -0.461 0 C-N-CA 120.558 -0.829 . . . . 0.0 111.878 -176.583 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -104.56 83.16 2.0 Favored 'General case' 0 C--N 1.324 -0.508 0 N-CA-C 109.742 -0.466 . . . . 0.0 109.742 177.983 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 68' ' ' MET . . . . . . . . . . . . . 57.9 mmm -79.3 -37.03 38.71 Favored 'General case' 0 C--N 1.323 -0.554 0 CA-C-N 116.089 -0.505 . . . . 0.0 111.303 -171.108 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 69' ' ' GLU . . . . . 0.526 ' O ' ' HG3' ' A' ' 73' ' ' LYS . 51.2 mm-40 -61.93 -48.12 81.84 Favored 'General case' 0 C--N 1.326 -0.427 0 N-CA-C 110.072 -0.344 . . . . 0.0 110.072 176.253 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 63.9 mtt85 -62.09 -33.46 74.49 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.114 -0.494 . . . . 0.0 111.036 177.892 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -63.92 -38.42 91.01 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-O 120.932 0.396 . . . . 0.0 110.857 178.149 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 72' ' ' ASN . . . . . . . . . . . . . 66.5 t30 -78.08 -35.35 49.52 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 116.35 -0.386 . . . . 0.0 110.234 178.833 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 73' ' ' LYS . . . . . 0.526 ' HG3' ' O ' ' A' ' 69' ' ' GLU . 68.9 mttm -57.05 -47.64 80.47 Favored 'General case' 0 CA--C 1.522 -0.116 0 N-CA-C 109.627 -0.509 . . . . 0.0 109.627 173.813 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -58.55 -50.23 74.55 Favored 'General case' 0 N--CA 1.453 -0.286 0 CA-C-N 115.714 -0.676 . . . . 0.0 110.491 176.255 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 29.4 ttm180 -49.49 -60.8 2.52 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 115.361 -0.836 . . . . 0.0 112.143 -177.166 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 76' ' ' ARG . . . . . 0.426 HH11 ' HD3' ' A' ' 76' ' ' ARG . 17.2 mtm180 -78.03 -28.54 49.09 Favored 'General case' 0 C--N 1.327 -0.407 0 N-CA-C 111.983 0.364 . . . . 0.0 111.983 -172.178 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 77' ' ' ARG . . . . . 0.457 ' O ' HG23 ' A' ' 81' ' ' VAL . 46.8 mtt180 -79.12 -28.14 42.92 Favored 'General case' 0 C--N 1.328 -0.352 0 C-N-CA 120.41 -0.516 . . . . 0.0 111.525 -179.164 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 78' ' ' CYS . . . . . . . . . . . . . 96.1 m -64.87 -41.9 95.27 Favored 'General case' 0 C--N 1.33 -0.277 0 N-CA-C 108.756 -0.831 . . . . 0.0 108.756 169.543 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . -57.55 -35.09 71.35 Favored Glycine 0 N--CA 1.448 -0.509 0 CA-C-N 115.526 -0.761 . . . . 0.0 112.199 173.61 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 33.7 tt0 -66.81 -41.36 87.68 Favored 'General case' 0 C--N 1.331 -0.207 0 N-CA-C 110.193 -0.299 . . . . 0.0 110.193 177.277 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 81' ' ' VAL . . . . . 0.457 HG23 ' O ' ' A' ' 77' ' ' ARG . 59.1 t -62.7 -44.85 99.79 Favored 'Isoleucine or valine' 0 C--O 1.234 0.259 0 CA-C-O 120.776 0.322 . . . . 0.0 110.417 176.81 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 82' ' ' PHE . . . . . 0.502 ' O ' HG13 ' A' ' 86' ' ' ILE . 36.2 m-85 -58.41 -50.55 73.27 Favored 'General case' 0 C--N 1.333 -0.151 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.232 175.646 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 6.0 ttp180 -56.82 -39.57 74.44 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 115.489 -0.778 . . . . 0.0 111.286 178.646 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 84' ' ' TYR . . . . . . . . . . . . . 37.4 t80 -64.85 -52.56 55.98 Favored 'General case' 0 C--O 1.219 -0.532 0 CA-C-N 116.3 -0.409 . . . . 0.0 110.088 179.139 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 85' ' ' ALA . . . . . 0.59 ' HA ' ' HB ' ' A' ' 88' ' ' THR . . . -55.05 -28.95 56.16 Favored 'General case' 0 C--N 1.327 -0.408 0 N-CA-C 111.951 0.352 . . . . 0.0 111.951 178.293 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 86' ' ' ILE . . . . . 0.502 HG13 ' O ' ' A' ' 82' ' ' PHE . 82.6 mt -66.18 -50.79 66.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.722 -0.217 . . . . 0.0 110.691 176.635 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 87' ' ' VAL . . . . . . . . . . . . . 29.7 m -73.48 -24.37 20.19 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.218 0 CA-C-O 121.251 0.548 . . . . 0.0 110.497 177.747 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 88' ' ' THR . . . . . 0.59 ' HB ' ' HA ' ' A' ' 85' ' ' ALA . 25.6 m -65.99 -31.8 72.92 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 115.32 -0.854 . . . . 0.0 110.775 173.022 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . 95.25 21.48 24.84 Favored Glycine 0 N--CA 1.448 -0.534 0 C-N-CA 120.76 -0.733 . . . . 0.0 112.271 179.145 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 60.7 mtt85 -118.33 1.89 11.86 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-O 120.859 0.362 . . . . 0.0 110.952 179.592 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 91' ' ' ALA . . . . . 0.457 ' O ' ' HA ' ' A' ' 86' ' ' ILE . . . -142.3 135.98 29.28 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-N 116.387 -0.37 . . . . 0.0 110.343 176.103 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 86.8 tttt -100.16 -42.22 6.79 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-O 121.42 0.628 . . . . 0.0 109.76 178.326 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 93' ' ' TYR . . . . . . . . . . . . . 43.5 p90 -139.46 172.89 12.15 Favored 'General case' 0 C--N 1.323 -0.562 0 N-CA-C 108.797 -0.816 . . . . 0.0 108.797 174.031 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 94' ' ' ASN . . . . . 0.404 ' HB3' ' HB3' ' A' ' 82' ' ' PHE . 25.1 p30 -131.39 157.78 77.14 Favored Pre-proline 0 C--N 1.321 -0.673 0 CA-C-O 120.702 0.287 . . . . 0.0 110.979 -176.879 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 95' ' ' PRO . . . . . . . . . . . . . 3.3 Cg_exo -78.86 19.89 0.84 Allowed 'Trans proline' 0 CA--C 1.53 0.323 0 C-N-CA 123.028 2.485 . . . . 0.0 112.64 176.753 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 96' ' ' ALA . . . . . 0.554 ' N ' ' HD2' ' A' ' 97' ' ' PRO . . . -65.87 -45.59 64.77 Favored Pre-proline 0 CA--C 1.539 0.53 0 N-CA-C 111.75 0.278 . . . . 0.0 111.75 179.662 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 97' ' ' PRO . . . . . 0.554 ' HD2' ' N ' ' A' ' 96' ' ' ALA . 10.2 Cg_endo -55.69 -35.18 92.69 Favored 'Trans proline' 0 C--N 1.355 0.903 0 C-N-CA 122.144 1.896 . . . . 0.0 112.165 173.231 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 14.5 m-20 -77.85 -30.46 50.95 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.5 179.539 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 99' ' ' LEU . . . . . 0.413 HD13 ' C ' ' A' ' 99' ' ' LEU . 3.2 tm? -60.19 -50.51 73.39 Favored 'General case' 0 C--N 1.329 -0.295 0 N-CA-C 109.12 -0.696 . . . . 0.0 109.12 172.472 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 100' ' ' ALA . . . . . . . . . . . . . . . -62.04 -36.98 83.25 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 115.808 -0.633 . . . . 0.0 110.581 178.004 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 9.5 t70 -60.02 -55.75 30.15 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 115.754 -0.657 . . . . 0.0 110.876 177.894 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -64.26 -42.16 96.6 Favored 'General case' 0 C--N 1.323 -0.563 0 CA-C-N 115.686 -0.688 . . . . 0.0 110.929 -177.873 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 103' ' ' MET . . . . . 0.509 ' HE3' HG21 ' A' ' 59' ' ' ILE . 50.6 ttm -63.86 -31.0 72.03 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.018 -0.537 . . . . 0.0 110.979 179.893 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 104' ' ' LYS . . . . . . . . . . . . . 50.5 tttm -61.63 -38.21 86.81 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 116.289 -0.414 . . . . 0.0 110.528 177.429 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 105' ' ' GLY . . . . . . . . . . . . . . . -70.99 -37.27 64.48 Favored Glycine 0 N--CA 1.449 -0.458 0 C-N-CA 120.918 -0.658 . . . . 0.0 111.876 177.987 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 106' ' ' TYR . . . . . . . . . . . . . 76.6 m-85 -84.72 2.51 41.61 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.567 0.222 . . . . 0.0 111.472 -179.37 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 107' ' ' ARG . . . . . . . . . . . . . 10.9 ttp180 -82.06 -21.92 36.63 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-O 121.337 0.589 . . . . 0.0 109.493 177.795 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 108' ' ' LYS . . . . . . . . . . . . . 81.5 tttt -93.46 68.57 4.13 Favored 'General case' 0 C--N 1.325 -0.494 0 N-CA-C 108.389 -0.967 . . . . 0.0 108.389 178.294 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 109' ' ' LYS . . . . . . . . . . . . . 61.3 mttm -73.34 -17.75 61.26 Favored 'General case' 0 C--N 1.321 -0.649 0 CA-C-N 114.273 -1.33 . . . . 0.0 111.982 -174.293 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 110' ' ' ASN . . . . . . . . . . . . . 95.9 m-20 -74.83 -13.71 60.6 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-O 120.874 0.369 . . . . 0.0 110.541 177.231 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 111' ' ' LEU . . . . . . . . . . . . . 52.4 tp -89.49 122.73 32.95 Favored 'General case' 0 C--N 1.323 -0.545 0 N-CA-C 108.944 -0.761 . . . . 0.0 108.944 173.146 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 112' ' ' GLU . . . . . . . . . . . . . 35.2 mt-10 -72.08 103.68 3.35 Favored 'General case' 0 C--N 1.323 -0.561 0 CA-C-O 121.013 0.435 . . . . 0.0 110.653 -176.888 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 113' ' ' HIS . . . . . . . . . . . . . 81.1 m-70 -84.58 133.06 34.44 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 115.971 -0.559 . . . . 0.0 111.138 -176.754 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 114' ' ' HIS . . . . . . . . . . . . . 73.5 t60 -136.28 111.1 8.76 Favored 'General case' 0 C--N 1.324 -0.542 0 CA-C-N 115.663 -0.699 . . . . 0.0 110.045 177.009 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 115' ' ' HIS . . . . . 0.426 ' HB2' ' HB2' ' A' ' 118' ' ' HIS . 20.8 m170 -74.68 154.36 38.49 Favored 'General case' 0 C--N 1.324 -0.507 0 N-CA-C 109.484 -0.561 . . . . 0.0 109.484 177.131 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 116' ' ' HIS . . . . . . . . . . . . . 15.9 t-80 -80.93 -9.75 59.8 Favored 'General case' 0 C--N 1.322 -0.597 0 CA-C-O 121.251 0.548 . . . . 0.0 109.744 177.012 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 117' ' ' HIS . . . . . . . . . . . . . 62.1 m-70 -105.23 -1.95 24.7 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-N 115.699 -0.682 . . . . 0.0 110.423 175.644 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 118' ' ' HIS . . . . . 0.426 ' HB2' ' HB2' ' A' ' 115' ' ' HIS . 26.9 m-70 . . . . . 0 C--O 1.244 0.772 0 CA-C-O 118.376 -0.821 . . . . 0.0 110.192 179.376 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 29.2 t . . . . . 0 N--CA 1.475 0.809 0 N-CA-C 109.942 -0.392 . . . . 0.0 109.942 . . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 19.1 m -72.05 -56.46 5.59 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-O 120.989 0.423 . . . . 0.0 109.896 177.498 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 3' ' ' ASN . . . . . . . . . . . . . 91.1 m-20 -90.93 84.01 5.73 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 121.171 0.51 . . . . 0.0 109.756 174.924 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 4' ' ' ASN . . . . . . . . . . . . . 36.8 t30 -77.61 123.25 26.38 Favored 'General case' 0 C--N 1.323 -0.546 0 CA-C-N 115.83 -0.623 . . . . 0.0 110.423 -179.379 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 5' ' ' ASN . . . . . 0.406 ' N ' HD21 ' A' ' 5' ' ' ASN . 0.9 OUTLIER -93.59 7.18 45.69 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 115.961 -0.563 . . . . 0.0 111.224 -176.352 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 6' ' ' SER . . . . . 0.542 ' HA ' ' HA ' ' A' ' 46' ' ' GLU . 49.8 m -65.71 145.23 56.27 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-O 120.7 0.286 . . . . 0.0 110.242 176.555 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 7' ' ' PHE . . . . . . . . . . . . . 45.2 t80 -56.05 -42.21 76.26 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 115.915 -0.584 . . . . 0.0 111.0 -176.457 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 45.7 t -53.61 -38.86 64.42 Favored 'General case' 0 C--O 1.234 0.248 0 CA-C-N 116.38 -0.373 . . . . 0.0 111.619 179.11 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -70.57 -50.18 40.02 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.007 -176.722 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 80.5 mt -69.9 -38.47 75.69 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 CA-C-N 115.936 -0.574 . . . . 0.0 110.651 -178.558 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 43.6 t80 -56.97 -41.73 78.88 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.812 175.457 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 66.4 tttm -66.22 -43.33 87.0 Favored 'General case' 0 C--N 1.329 -0.294 0 C-N-CA 120.711 -0.396 . . . . 0.0 110.673 -179.56 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 37.1 tt0 -63.32 -44.93 93.53 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.865 0.364 . . . . 0.0 110.253 178.478 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 14' ' ' TRP . . . . . . . . . . . . . 66.0 t90 -60.03 -50.29 74.32 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 115.87 -0.605 . . . . 0.0 110.525 177.028 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 15' ' ' TYR . . . . . 0.445 ' CE1' ' HB3' ' A' ' 31' ' ' ALA . 17.8 t80 -60.18 -48.05 83.37 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.179 178.331 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 28.9 tt0 -63.5 -35.91 82.04 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-O 121.06 0.457 . . . . 0.0 110.469 -176.602 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 17' ' ' HIS . . . . . . . . . . . . . 63.7 t60 -71.81 -44.26 64.23 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 115.827 -0.624 . . . . 0.0 110.423 178.082 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 24.7 mmtm -73.57 -19.18 60.96 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.342 -0.39 . . . . 0.0 111.51 179.5 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 63.8 tttm -65.77 -19.16 65.79 Favored 'General case' 0 C--N 1.324 -0.543 0 CA-C-O 121.267 0.556 . . . . 0.0 109.977 177.699 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 71.6 mt-30 -88.03 -8.77 55.11 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 115.744 -0.662 . . . . 0.0 110.326 177.994 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 57.4 t -102.45 -47.95 10.95 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 CA-C-N 116.026 -0.534 . . . . 0.0 111.171 -176.12 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 22' ' ' TRP . . . . . . . . . . . . . 10.5 m0 -86.23 172.59 10.39 Favored 'General case' 0 C--N 1.322 -0.614 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.934 -177.562 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 43.6 m -78.37 152.87 32.06 Favored 'General case' 0 C--N 1.324 -0.507 0 N-CA-C 109.232 -0.655 . . . . 0.0 109.232 171.957 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 8.4 p -61.44 -31.09 49.51 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-O 120.591 0.234 . . . . 0.0 111.472 -174.237 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -64.59 -57.25 13.22 Favored Glycine 0 C--N 1.331 0.261 0 C-N-CA 120.859 -0.686 . . . . 0.0 112.075 178.689 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 26' ' ' TYR . . . . . . . . . . . . . 64.5 t80 -57.69 -41.77 82.31 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-O 120.778 0.323 . . . . 0.0 110.564 176.947 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -61.16 -45.04 96.28 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.01 -0.541 . . . . 0.0 111.359 -179.199 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 58.6 m -62.97 -45.72 91.11 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-O 120.897 0.38 . . . . 0.0 110.73 179.216 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 15.2 tp10 -58.64 -52.57 65.12 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 115.729 -0.668 . . . . 0.0 110.891 -179.577 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 30' ' ' LEU . . . . . 0.555 ' HA ' ' HE2' ' A' ' 33' ' ' MET . 10.4 tt -63.9 -43.5 95.79 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 115.737 -0.665 . . . . 0.0 110.47 -178.274 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 31' ' ' ALA . . . . . 0.445 ' HB3' ' CE1' ' A' ' 15' ' ' TYR . . . -64.62 -42.84 95.23 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 116.074 -0.512 . . . . 0.0 111.794 -177.104 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 32' ' ' LYS . . . . . 0.451 ' O ' ' HB2' ' A' ' 36' ' ' ASP . 56.4 tttp -65.02 -53.2 49.77 Favored 'General case' 0 C--O 1.22 -0.477 0 C-N-CA 120.191 -0.604 . . . . 0.0 111.19 -176.423 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 33' ' ' MET . . . . . 0.555 ' HE2' ' HA ' ' A' ' 30' ' ' LEU . 26.2 ptt? -58.36 -39.46 79.62 Favored 'General case' 0 C--O 1.236 0.345 0 C-N-CA 120.694 -0.402 . . . . 0.0 110.814 -177.279 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 34' ' ' PHE . . . . . 0.434 ' CD2' HD13 ' A' ' 38' ' ' ILE . 0.2 OUTLIER -66.38 -56.26 11.9 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 115.875 -0.602 . . . . 0.0 110.483 179.26 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 35' ' ' ASP . . . . . 0.933 ' HA ' HD23 ' A' ' 39' ' ' LEU . 14.2 t70 -62.05 -48.55 79.75 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-O 120.906 0.384 . . . . 0.0 111.616 -179.0 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 36' ' ' ASP . . . . . 0.451 ' HB2' ' O ' ' A' ' 32' ' ' LYS . 4.4 t70 -57.16 -43.55 82.64 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-N 115.7 -0.682 . . . . 0.0 111.865 -173.454 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -100.02 -44.33 6.05 Favored 'General case' 0 C--N 1.328 -0.353 0 N-CA-C 112.657 0.614 . . . . 0.0 112.657 -175.427 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 38' ' ' ILE . . . . . 0.535 HG12 HG12 ' A' ' 58' ' ' VAL . 34.2 mt -79.05 -33.0 15.59 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 N-CA-C 112.632 0.604 . . . . 0.0 112.632 -169.848 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 39' ' ' LEU . . . . . 0.933 HD23 ' HA ' ' A' ' 35' ' ' ASP . 2.5 mm? -59.68 -48.2 95.85 Favored Pre-proline 0 CA--C 1.536 0.435 0 N-CA-C 112.206 0.447 . . . . 0.0 112.206 -178.399 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 31.6 Cg_exo -62.04 -16.42 49.98 Favored 'Trans proline' 0 C--N 1.351 0.663 0 C-N-CA 121.87 1.713 . . . . 0.0 113.133 175.428 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 41' ' ' ILE . . . . . 0.579 HG23 HG23 ' A' ' 42' ' ' ILE . 66.4 mt -91.95 -58.48 3.57 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.211 0 N-CA-C 111.644 0.238 . . . . 0.0 111.644 -177.561 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 42' ' ' ILE . . . . . 0.579 HG23 HG23 ' A' ' 41' ' ' ILE . 12.2 pt -128.6 3.69 2.95 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.287 0 N-CA-C 111.956 0.354 . . . . 0.0 111.956 -177.835 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 43' ' ' GLY . . . . . 0.506 ' HA3' HD12 ' A' ' 39' ' ' LEU . . . -60.7 -35.56 89.94 Favored Glycine 0 N--CA 1.452 -0.265 0 C-N-CA 120.712 -0.756 . . . . 0.0 112.56 -176.676 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -89.92 5.23 83.4 Favored Glycine 0 N--CA 1.446 -0.676 0 C-N-CA 120.887 -0.673 . . . . 0.0 112.57 179.776 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 96.0 mt -95.63 148.35 22.63 Favored 'General case' 0 C--N 1.328 -0.33 0 N-CA-C 110.039 -0.356 . . . . 0.0 110.039 -179.67 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 46' ' ' GLU . . . . . 0.542 ' HA ' ' HA ' ' A' ' 6' ' ' SER . 36.2 mt-10 -76.79 130.25 37.41 Favored 'General case' 0 C--N 1.322 -0.62 0 N-CA-C 109.062 -0.718 . . . . 0.0 109.062 176.786 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 47' ' ' ILE . . . . . 0.519 HD13 ' HA ' ' A' ' 82' ' ' PHE . 15.4 tt -59.56 -20.67 19.18 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 CA-C-N 116.015 -0.539 . . . . 0.0 111.978 -170.52 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 84.9 mt-30 -78.26 -28.76 47.76 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 116.495 -0.32 . . . . 0.0 111.135 -179.905 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 25.2 m-20 -109.31 10.19 25.63 Favored 'General case' 0 C--N 1.329 -0.286 0 N-CA-C 112.132 0.419 . . . . 0.0 112.132 -171.507 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 50' ' ' ILE . . . . . . . . . . . . . 63.9 mt -67.41 125.56 25.19 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.562 0 CA-C-O 120.827 0.346 . . . . 0.0 110.179 177.432 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 51' ' ' GLU . . . . . 0.526 ' HG3' ' HB2' ' A' ' 54' ' ' GLN . 4.6 pt-20 -87.31 155.5 54.43 Favored Pre-proline 0 C--N 1.325 -0.494 0 CA-C-N 115.91 -0.586 . . . . 0.0 110.913 -177.236 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 52' ' ' PRO . . . . . 0.404 ' HD2' ' HB2' ' A' ' 51' ' ' GLU . 12.5 Cg_endo -56.1 -42.57 65.13 Favored 'Trans proline' 0 C--N 1.346 0.402 0 C-N-CA 123.205 2.603 . . . . 0.0 113.223 -178.321 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 53' ' ' MET . . . . . . . . . . . . . 63.9 mtt -78.95 -15.33 58.44 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.585 0.231 . . . . 0.0 111.568 -175.736 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 54' ' ' GLN . . . . . 0.526 ' HB2' ' HG3' ' A' ' 51' ' ' GLU . 41.8 tp60 -84.7 -37.73 20.6 Favored 'General case' 0 C--N 1.328 -0.368 0 N-CA-C 109.399 -0.593 . . . . 0.0 109.399 176.907 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 55' ' ' LEU . . . . . 0.415 ' O ' ' HB ' ' A' ' 58' ' ' VAL . 33.0 tp -68.81 -33.61 74.14 Favored 'General case' 0 C--N 1.326 -0.435 0 N-CA-C 108.691 -0.855 . . . . 0.0 108.691 172.597 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 47.0 tp -69.13 -26.91 65.13 Favored 'General case' 0 C--O 1.221 -0.437 0 CA-C-N 115.505 -0.771 . . . . 0.0 110.054 174.239 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 8.5 tt0 -65.07 -36.98 86.05 Favored 'General case' 0 C--N 1.329 -0.292 0 N-CA-C 109.429 -0.582 . . . . 0.0 109.429 176.788 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 58' ' ' VAL . . . . . 0.543 ' O ' ' HB3' ' A' ' 61' ' ' ARG . 38.5 t -59.46 -50.8 78.57 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 CA-C-N 115.579 -0.737 . . . . 0.0 110.699 173.08 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 59' ' ' ILE . . . . . 0.409 HG22 ' HE1' ' A' ' 103' ' ' MET . 31.8 mm -68.74 -37.95 78.2 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.531 0 CA-C-N 116.424 -0.353 . . . . 0.0 110.354 -179.281 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 60' ' ' ARG . . . . . 0.405 HH11 ' HD2' ' A' ' 60' ' ' ARG . 40.6 ttp85 -57.39 -36.42 71.27 Favored 'General case' 0 C--N 1.332 -0.171 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.172 174.081 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 61' ' ' ARG . . . . . 0.543 ' HB3' ' O ' ' A' ' 58' ' ' VAL . 24.8 tpt180 -59.27 -47.2 86.25 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 115.788 -0.642 . . . . 0.0 110.423 175.95 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 62' ' ' PHE . . . . . 0.465 ' O ' ' HB2' ' A' ' 65' ' ' ARG . 61.7 m-85 -70.18 -32.65 70.67 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.339 -0.391 . . . . 0.0 111.401 179.279 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 63' ' ' GLU . . . . . 0.768 ' HG3' ' HE3' ' A' ' 68' ' ' MET . 34.3 tt0 -64.98 -46.43 81.48 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 121.062 0.458 . . . . 0.0 110.137 175.201 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 35.4 t70 -65.68 -25.29 67.27 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 115.459 -0.791 . . . . 0.0 110.574 179.078 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 65' ' ' ARG . . . . . 0.465 ' HB2' ' O ' ' A' ' 62' ' ' PHE . 28.1 mtt-85 -64.75 -37.15 86.62 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 115.881 -0.6 . . . . 0.0 111.122 173.574 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 98.05 -1.54 59.38 Favored Glycine 0 N--CA 1.445 -0.702 0 N-CA-C 110.233 -1.147 . . . . 0.0 110.233 -169.194 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -90.1 72.47 7.31 Favored 'General case' 0 N--CA 1.452 -0.346 0 CA-C-N 115.132 -0.534 . . . . 0.0 109.64 178.236 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 68' ' ' MET . . . . . 0.768 ' HE3' ' HG3' ' A' ' 63' ' ' GLU . 69.1 mmm -69.82 -37.9 76.39 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-N 115.769 -0.65 . . . . 0.0 111.026 -173.897 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 27.1 mt-10 -67.68 -38.89 84.32 Favored 'General case' 0 C--N 1.321 -0.636 0 CA-C-N 115.986 -0.552 . . . . 0.0 110.499 -179.406 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 70' ' ' ARG . . . . . 0.471 ' HD2' ' SD ' ' A' ' 33' ' ' MET . 72.7 mtm180 -78.87 -17.31 55.8 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.337 -0.392 . . . . 0.0 111.004 176.57 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -68.59 -44.91 73.34 Favored 'General case' 0 C--N 1.332 -0.195 0 CA-C-O 121.147 0.498 . . . . 0.0 110.104 174.673 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 72' ' ' ASN . . . . . . . . . . . . . 38.9 m-80 -65.16 -36.36 83.98 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 115.714 -0.675 . . . . 0.0 109.988 175.306 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 84.6 tttt -67.5 -40.11 85.19 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.01 -0.541 . . . . 0.0 110.669 178.34 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -54.44 -43.46 71.63 Favored 'General case' 0 CA--C 1.521 -0.138 0 CA-C-O 120.86 0.362 . . . . 0.0 110.347 176.213 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 28.2 ttm180 -57.71 -51.99 67.28 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 115.654 -0.703 . . . . 0.0 110.952 179.377 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 34.9 ttm180 -64.04 -45.26 89.65 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 115.919 -0.582 . . . . 0.0 111.35 -176.906 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 77' ' ' ARG . . . . . 0.4 HH11 ' HD2' ' A' ' 77' ' ' ARG . 2.0 mmp_? -65.71 -42.25 91.32 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.502 -0.317 . . . . 0.0 111.046 -177.776 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 78' ' ' CYS . . . . . 0.503 ' O ' ' HD1' ' A' ' 82' ' ' PHE . 80.7 m -62.6 -45.43 92.91 Favored 'General case' 0 C--N 1.333 -0.127 0 C-N-CA 121.255 -0.178 . . . . 0.0 110.54 178.575 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . -57.95 -34.42 71.99 Favored Glycine 0 C--N 1.333 0.412 0 C-N-CA 120.84 -0.695 . . . . 0.0 111.979 177.508 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 31.0 tt0 -67.11 -39.75 86.74 Favored 'General case' 0 C--N 1.329 -0.299 0 N-CA-C 110.115 -0.328 . . . . 0.0 110.115 177.237 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 89.3 t -63.11 -44.76 99.65 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.196 0 CA-C-O 120.839 0.352 . . . . 0.0 110.483 177.02 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 82' ' ' PHE . . . . . 0.519 ' HA ' HD13 ' A' ' 47' ' ' ILE . 47.9 m-85 -58.9 -47.16 85.95 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.649 177.181 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 83' ' ' ARG . . . . . 0.42 ' HA ' HD12 ' A' ' 86' ' ' ILE . 20.7 ttp85 -68.07 -33.81 75.25 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.334 -0.393 . . . . 0.0 110.586 -179.972 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 84' ' ' TYR . . . . . . . . . . . . . 21.8 t80 -59.55 -41.24 89.64 Favored 'General case' 0 C--N 1.329 -0.29 0 N-CA-C 109.419 -0.585 . . . . 0.0 109.419 176.098 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 85' ' ' ALA . . . . . 0.494 ' HA ' ' OG1' ' A' ' 88' ' ' THR . . . -69.25 -30.96 69.21 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-N 115.438 -0.801 . . . . 0.0 111.034 177.88 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 86' ' ' ILE . . . . . 0.492 HG13 ' O ' ' A' ' 82' ' ' PHE . 73.1 mt -64.55 -47.08 90.63 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.397 0 CA-C-O 121.095 0.474 . . . . 0.0 109.987 175.991 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 87' ' ' VAL . . . . . 0.404 HG22 ' O ' ' A' ' 83' ' ' ARG . 54.3 t -65.4 -35.09 74.48 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.364 0 CA-C-N 115.735 -0.666 . . . . 0.0 111.003 179.537 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 88' ' ' THR . . . . . 0.494 ' OG1' ' HA ' ' A' ' 85' ' ' ALA . 17.2 p -83.57 2.85 35.18 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 116.43 -0.35 . . . . 0.0 111.651 -179.11 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . 70.57 41.24 65.96 Favored Glycine 0 C--N 1.332 0.339 0 C-N-CA 121.088 -0.577 . . . . 0.0 112.578 176.573 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 76.9 mtt180 -124.29 -29.05 3.59 Favored 'General case' 0 C--N 1.323 -0.56 0 CA-C-O 120.751 0.31 . . . . 0.0 110.971 -179.463 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . -118.42 137.38 53.19 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-O 120.866 0.365 . . . . 0.0 110.8 179.786 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 77.9 tttt -104.82 -37.25 7.1 Favored 'General case' 0 C--N 1.321 -0.632 0 CA-C-N 115.846 -0.615 . . . . 0.0 110.844 178.655 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 93' ' ' TYR . . . . . . . . . . . . . 91.6 t80 -139.0 137.56 36.45 Favored 'General case' 0 C--N 1.324 -0.531 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.853 -176.169 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 94' ' ' ASN . . . . . . . . . . . . . 10.2 p30 -113.49 138.75 22.66 Favored Pre-proline 0 C--N 1.326 -0.426 0 N-CA-C 109.508 -0.553 . . . . 0.0 109.508 174.77 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 95' ' ' PRO . . . . . . . . . . . . . 85.1 Cg_endo -82.17 28.54 0.56 Allowed 'Trans proline' 0 N--CA 1.463 -0.317 0 C-N-CA 122.72 2.28 . . . . 0.0 112.464 179.689 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 96' ' ' ALA . . . . . 0.566 ' N ' ' HD2' ' A' ' 97' ' ' PRO . . . -65.6 -45.53 67.6 Favored Pre-proline 0 CA--C 1.537 0.475 0 N-CA-C 112.577 0.584 . . . . 0.0 112.577 -177.739 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 97' ' ' PRO . . . . . 0.566 ' HD2' ' N ' ' A' ' 96' ' ' ALA . 5.7 Cg_endo -51.53 -45.74 35.87 Favored 'Trans proline' 0 C--N 1.358 1.035 0 C-N-CA 122.093 1.862 . . . . 0.0 112.486 175.06 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 8.4 m-20 -80.52 -21.27 42.03 Favored 'General case' 0 C--O 1.224 -0.261 0 C-N-CA 121.096 -0.241 . . . . 0.0 111.353 179.104 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 99' ' ' LEU . . . . . 0.429 ' HB3' ' O ' ' A' ' 96' ' ' ALA . 2.5 tm? -59.68 -50.43 73.88 Favored 'General case' 0 C--N 1.327 -0.403 0 N-CA-C 109.219 -0.66 . . . . 0.0 109.219 173.603 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 100' ' ' ALA . . . . . . . . . . . . . . . -68.71 -34.73 76.14 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 115.684 -0.689 . . . . 0.0 110.662 179.038 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 30.3 t70 -69.82 -41.21 75.29 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 116.013 -0.54 . . . . 0.0 111.151 -178.684 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -66.58 -48.22 70.29 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.287 178.036 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 103' ' ' MET . . . . . 0.409 ' HE1' HG22 ' A' ' 59' ' ' ILE . 38.3 ttm -50.63 -47.13 58.52 Favored 'General case' 0 N--CA 1.464 0.266 0 CA-C-N 116.005 -0.543 . . . . 0.0 111.111 171.767 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 104' ' ' LYS . . . . . . . . . . . . . 36.2 tttm -61.11 -34.05 74.33 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-N 115.546 -0.752 . . . . 0.0 111.217 179.427 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 105' ' ' GLY . . . . . . . . . . . . . . . -107.9 31.19 8.19 Favored Glycine 0 N--CA 1.448 -0.506 0 C-N-CA 120.774 -0.727 . . . . 0.0 112.206 179.4 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 106' ' ' TYR . . . . . . . . . . . . . 41.5 t80 -97.96 -11.23 23.32 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-O 121.52 0.676 . . . . 0.0 110.352 179.328 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 107' ' ' ARG . . . . . . . . . . . . . 8.8 ttm180 -132.11 57.13 1.79 Allowed 'General case' 0 C--N 1.321 -0.666 0 N-CA-C 108.697 -0.853 . . . . 0.0 108.697 -176.913 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 108' ' ' LYS . . . . . . . . . . . . . 85.5 mttt -67.72 -38.9 84.23 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 114.355 -1.293 . . . . 0.0 111.918 -174.964 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 109' ' ' LYS . . . . . . . . . . . . . 76.3 tttt -82.89 112.83 20.05 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-O 121.245 0.545 . . . . 0.0 111.425 -170.995 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 110' ' ' ASN . . . . . . . . . . . . . 33.6 t-20 -99.26 147.63 24.97 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 115.438 -0.801 . . . . 0.0 109.108 177.787 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 111' ' ' LEU . . . . . . . . . . . . . 84.5 mt -79.22 -59.92 2.58 Favored 'General case' 0 C--N 1.323 -0.582 0 CA-C-N 116.488 -0.324 . . . . 0.0 111.46 -175.236 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 112' ' ' GLU . . . . . . . . . . . . . 41.1 tt0 -92.41 137.36 32.43 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-O 120.902 0.382 . . . . 0.0 110.799 -175.47 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 113' ' ' HIS . . . . . . . . . . . . . 76.5 m-70 -130.96 162.4 29.8 Favored 'General case' 0 C--N 1.327 -0.412 0 N-CA-C 109.503 -0.555 . . . . 0.0 109.503 179.855 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 114' ' ' HIS . . . . . . . . . . . . . 12.7 t-80 -72.85 -31.15 64.55 Favored 'General case' 0 C--N 1.327 -0.377 0 N-CA-C 111.579 0.214 . . . . 0.0 111.579 -174.995 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 115' ' ' HIS . . . . . . . . . . . . . 18.8 m80 -86.05 97.98 10.6 Favored 'General case' 0 C--N 1.324 -0.531 0 CA-C-O 121.054 0.454 . . . . 0.0 110.593 177.075 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 116' ' ' HIS . . . . . . . . . . . . . 64.9 m-70 -89.5 68.65 7.83 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-N 115.873 -0.603 . . . . 0.0 109.381 -179.634 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 117' ' ' HIS . . . . . . . . . . . . . 11.6 p80 -81.57 160.61 23.8 Favored 'General case' 0 C--N 1.321 -0.644 0 CA-C-N 115.459 -0.791 . . . . 0.0 110.847 -177.544 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 118' ' ' HIS . . . . . . . . . . . . . 47.6 m80 . . . . . 0 C--O 1.247 0.935 0 CA-C-O 118.596 -0.716 . . . . 0.0 109.877 -179.703 . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 20.0 m . . . . . 0 N--CA 1.477 0.918 0 N-CA-C 110.15 -0.315 . . . . 0.0 110.15 . . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 43.4 m -77.73 129.27 35.3 Favored 'General case' 0 C--N 1.322 -0.589 0 N-CA-C 108.682 -0.859 . . . . 0.0 108.682 169.331 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 3' ' ' ASN . . . . . . . . . . . . . 82.6 m-20 65.92 84.57 0.15 Allowed 'General case' 0 C--N 1.331 -0.212 0 O-C-N 123.692 0.62 . . . . 0.0 109.502 -171.1 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 4' ' ' ASN . . . . . . . . . . . . . 81.7 m-20 -82.63 -21.3 35.13 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-N 116.035 -0.529 . . . . 0.0 110.996 -176.74 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 83.8 m-20 -95.52 24.99 4.75 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-N 115.822 -0.626 . . . . 0.0 110.728 -179.324 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 61.8 m -62.92 141.43 58.71 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 115.976 -0.556 . . . . 0.0 109.797 175.668 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 7' ' ' PHE . . . . . 0.649 ' HE1' ' HZ ' ' A' ' 34' ' ' PHE . 5.3 t80 -58.54 -43.84 89.43 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 116.375 -0.375 . . . . 0.0 110.716 -175.972 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 50.1 m -57.59 -39.31 76.53 Favored 'General case' 0 CA--C 1.531 0.245 0 CA-C-N 116.488 -0.324 . . . . 0.0 111.674 178.973 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -66.11 -51.49 57.45 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.998 0.428 . . . . 0.0 110.942 -177.241 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 57.6 mt -66.07 -35.29 74.68 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.396 0 CA-C-N 115.963 -0.562 . . . . 0.0 110.516 -179.343 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 11' ' ' TYR . . . . . 0.529 ' OH ' ' HA ' ' A' ' 31' ' ' ALA . 90.8 t80 -61.08 -42.94 99.43 Favored 'General case' 0 C--O 1.223 -0.31 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.582 176.319 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 84.1 tttt -65.21 -34.29 78.01 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-O 120.646 0.26 . . . . 0.0 111.167 -176.904 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 47.4 tt0 -66.46 -51.17 59.66 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 121.175 0.512 . . . . 0.0 109.899 176.015 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 14' ' ' TRP . . . . . 0.413 ' HZ3' ' CE1' ' A' ' 11' ' ' TYR . 62.6 t90 -61.34 -45.46 94.32 Favored 'General case' 0 C--O 1.237 0.427 0 CA-C-N 115.286 -0.87 . . . . 0.0 110.999 179.111 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 15' ' ' TYR . . . . . 0.479 ' CE1' ' HB3' ' A' ' 31' ' ' ALA . 22.0 t80 -58.09 -56.2 25.07 Favored 'General case' 0 C--O 1.224 -0.287 0 CA-C-N 116.046 -0.525 . . . . 0.0 111.345 179.859 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 21.5 tt0 -63.97 -23.96 67.54 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.899 0.38 . . . . 0.0 110.668 -173.924 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 17' ' ' HIS . . . . . . . . . . . . . 75.4 t60 -69.78 -58.73 3.55 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-O 121.03 0.443 . . . . 0.0 110.419 175.289 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 81.5 mttt -77.89 -3.78 43.41 Favored 'General case' 0 C--N 1.329 -0.286 0 N-CA-C 111.776 0.287 . . . . 0.0 111.776 -177.035 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 83.7 tttt -64.27 -21.9 66.76 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-O 121.165 0.507 . . . . 0.0 109.892 174.997 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 92.6 mt-30 -85.86 -15.3 42.28 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 115.833 -0.621 . . . . 0.0 110.474 178.206 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 52.1 t -88.13 -53.48 9.67 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.385 0 CA-C-O 121.209 0.528 . . . . 0.0 110.358 -178.523 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 22' ' ' TRP . . . . . . . . . . . . . 8.0 m0 -78.41 171.65 14.78 Favored 'General case' 0 C--N 1.321 -0.662 0 CA-C-N 115.764 -0.653 . . . . 0.0 110.111 -179.865 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 36.4 p -73.94 149.02 41.64 Favored 'General case' 0 C--N 1.32 -0.693 0 N-CA-C 109.592 -0.521 . . . . 0.0 109.592 175.945 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 11.4 p -59.28 -36.15 61.95 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.392 0 CA-C-O 120.682 0.277 . . . . 0.0 111.236 -177.238 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -67.28 -42.85 90.05 Favored Glycine 0 N--CA 1.449 -0.459 0 C-N-CA 120.928 -0.653 . . . . 0.0 111.761 179.08 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 26' ' ' TYR . . . . . . . . . . . . . 70.1 t80 -70.61 -41.14 72.68 Favored 'General case' 0 C--N 1.325 -0.493 0 N-CA-C 110.257 -0.275 . . . . 0.0 110.257 179.023 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -62.47 -42.96 99.85 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.308 -0.406 . . . . 0.0 111.026 -179.368 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 61.5 m -62.21 -44.41 96.64 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.3 -0.409 . . . . 0.0 110.655 178.442 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 29' ' ' GLU . . . . . 0.586 ' O ' ' HG3' ' A' ' 33' ' ' MET . 10.8 tp10 -67.43 -46.19 73.87 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.41 -0.359 . . . . 0.0 110.572 -179.821 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 30' ' ' LEU . . . . . 0.734 ' HA ' ' HE2' ' A' ' 33' ' ' MET . 10.3 tt -57.1 -47.51 80.89 Favored 'General case' 0 C--O 1.235 0.294 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.58 -179.95 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 31' ' ' ALA . . . . . 0.529 ' HA ' ' OH ' ' A' ' 11' ' ' TYR . . . -65.55 -37.39 86.58 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 116.356 -0.384 . . . . 0.0 110.656 179.307 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 32' ' ' LYS . . . . . 0.504 ' O ' ' HB2' ' A' ' 36' ' ' ASP . 54.0 tttm -63.37 -44.32 95.1 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.547 -0.297 . . . . 0.0 110.688 178.076 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 33' ' ' MET . . . . . 0.734 ' HE2' ' HA ' ' A' ' 30' ' ' LEU . 38.2 mtm -57.06 -40.97 77.89 Favored 'General case' 0 N--CA 1.464 0.245 0 CA-C-O 121.433 0.635 . . . . 0.0 110.314 178.194 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 34' ' ' PHE . . . . . 0.675 ' O ' ' HB ' ' A' ' 38' ' ' ILE . 8.3 t80 -71.23 -45.65 62.82 Favored 'General case' 0 N--CA 1.449 -0.48 0 CA-C-N 115.355 -0.838 . . . . 0.0 110.016 -177.179 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 35' ' ' ASP . . . . . 0.872 ' HA ' ' HG ' ' A' ' 39' ' ' LEU . 10.5 t70 -58.74 -58.52 8.21 Favored 'General case' 0 C--N 1.322 -0.6 0 CA-C-N 115.773 -0.649 . . . . 0.0 110.023 176.188 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 36' ' ' ASP . . . . . 0.504 ' HB2' ' O ' ' A' ' 32' ' ' LYS . 1.0 OUTLIER -52.67 -46.19 67.09 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 114.441 -1.254 . . . . 0.0 113.33 -170.979 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 37' ' ' ASP . . . . . 0.405 ' O ' HG12 ' A' ' 41' ' ' ILE . 37.8 m-20 -110.96 -42.84 3.88 Favored 'General case' 0 C--N 1.326 -0.444 0 N-CA-C 112.506 0.558 . . . . 0.0 112.506 -172.479 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 38' ' ' ILE . . . . . 0.675 ' HB ' ' O ' ' A' ' 34' ' ' PHE . 1.5 mp -69.65 -39.82 78.64 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 CA-C-O 120.418 0.152 . . . . 0.0 111.31 -174.75 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 39' ' ' LEU . . . . . 0.872 ' HG ' ' HA ' ' A' ' 35' ' ' ASP . 13.7 mt -63.7 -47.28 82.31 Favored Pre-proline 0 CA--C 1.534 0.34 0 N-CA-C 112.796 0.665 . . . . 0.0 112.796 -172.926 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 40' ' ' PRO . . . . . 0.437 ' HD3' ' HB2' ' A' ' 39' ' ' LEU . 55.6 Cg_exo -54.99 -26.62 50.35 Favored 'Trans proline' 0 C--N 1.351 0.696 0 C-N-CA 121.862 1.708 . . . . 0.0 112.542 175.019 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 41' ' ' ILE . . . . . 0.52 HG22 HG23 ' A' ' 42' ' ' ILE . 31.6 mm -88.82 -64.03 1.21 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.352 0 CA-C-N 116.663 -0.244 . . . . 0.0 111.299 -176.391 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 42' ' ' ILE . . . . . 0.52 HG23 HG22 ' A' ' 41' ' ' ILE . 11.3 pt -128.82 8.4 2.75 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.256 0 N-CA-C 112.532 0.568 . . . . 0.0 112.532 -174.725 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 43' ' ' GLY . . . . . 0.527 ' HA3' ' HA ' ' A' ' 39' ' ' LEU . . . -61.7 -38.63 96.21 Favored Glycine 0 C--O 1.237 0.32 0 C-N-CA 120.483 -0.865 . . . . 0.0 112.848 -176.204 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -89.53 9.11 78.27 Favored Glycine 0 N--CA 1.445 -0.736 0 C-N-CA 120.816 -0.707 . . . . 0.0 112.301 -178.937 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 45' ' ' LEU . . . . . 0.446 HD11 ' HA ' ' A' ' 42' ' ' ILE . 96.6 mt -94.63 157.04 16.14 Favored 'General case' 0 C--N 1.327 -0.391 0 N-CA-C 109.923 -0.399 . . . . 0.0 109.923 178.432 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 44.1 mt-10 -81.15 140.8 34.78 Favored 'General case' 0 C--N 1.323 -0.572 0 N-CA-C 109.331 -0.618 . . . . 0.0 109.331 175.964 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 47' ' ' ILE . . . . . 0.49 HD13 ' HB3' ' A' ' 85' ' ' ALA . 15.5 tt -65.94 -12.96 14.97 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.699 0 CA-C-O 121.367 0.603 . . . . 0.0 111.113 -176.921 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 86.7 mt-30 -89.49 -14.61 34.89 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 115.943 -0.572 . . . . 0.0 110.907 179.903 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 20.1 t70 -139.79 83.18 1.91 Allowed 'General case' 0 C--N 1.323 -0.545 0 CA-C-O 121.148 0.499 . . . . 0.0 110.62 -174.706 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 50' ' ' ILE . . . . . . . . . . . . . 77.3 mt -134.12 131.04 55.36 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 CA-C-N 115.493 -0.776 . . . . 0.0 109.867 177.307 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 39.1 mt-10 -76.88 138.94 65.68 Favored Pre-proline 0 C--N 1.324 -0.533 0 CA-C-N 116.461 -0.336 . . . . 0.0 110.498 179.759 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 52' ' ' PRO . . . . . 0.472 ' HB3' ' HB3' ' A' ' 98' ' ' ASP . 9.4 Cg_endo -54.21 -37.51 87.86 Favored 'Trans proline' 0 C--N 1.344 0.338 0 C-N-CA 122.78 2.32 . . . . 0.0 112.313 177.727 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 53' ' ' MET . . . . . . . . . . . . . 92.0 mmm -67.88 -30.1 69.37 Favored 'General case' 0 C--N 1.332 -0.187 0 CA-C-N 116.561 -0.291 . . . . 0.0 111.247 179.443 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 78.5 mt-30 -74.33 -36.77 63.69 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-O 120.978 0.418 . . . . 0.0 110.531 177.407 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 55' ' ' LEU . . . . . 0.662 HD22 ' HB2' ' A' ' 99' ' ' LEU . 19.9 tp -67.02 -36.38 81.99 Favored 'General case' 0 C--N 1.322 -0.625 0 N-CA-C 109.145 -0.687 . . . . 0.0 109.145 175.417 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 56' ' ' LEU . . . . . 0.475 HD21 ' O ' ' A' ' 56' ' ' LEU . 1.9 tm? -69.57 -34.47 74.22 Favored 'General case' 0 C--O 1.219 -0.533 0 CA-C-N 115.611 -0.722 . . . . 0.0 109.86 175.451 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 34.0 tt0 -61.26 -32.87 72.69 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.94 0.4 . . . . 0.0 110.262 177.668 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 58' ' ' VAL . . . . . 0.46 ' O ' ' HB3' ' A' ' 61' ' ' ARG . 75.8 t -64.54 -54.57 28.81 Favored 'Isoleucine or valine' 0 C--O 1.237 0.422 0 CA-C-O 121.336 0.589 . . . . 0.0 110.601 174.611 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 59' ' ' ILE . . . . . 0.403 HG22 ' HE2' ' A' ' 103' ' ' MET . 1.7 mp -58.76 -41.59 82.96 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 CA-C-N 115.675 -0.693 . . . . 0.0 110.025 177.271 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 17.6 tpt180 -66.3 -30.26 70.64 Favored 'General case' 0 C--N 1.324 -0.524 0 CA-C-N 115.292 -0.867 . . . . 0.0 110.438 -179.516 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 61' ' ' ARG . . . . . 0.46 ' HB3' ' O ' ' A' ' 58' ' ' VAL . 8.7 tpt180 -59.37 -43.06 92.94 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 115.993 -0.549 . . . . 0.0 109.627 175.355 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 62' ' ' PHE . . . . . . . . . . . . . 77.0 m-85 -73.11 -27.8 61.9 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.043 -0.526 . . . . 0.0 111.467 177.102 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 63' ' ' GLU . . . . . 0.432 ' HG2' ' HE2' ' A' ' 68' ' ' MET . 30.7 mt-10 -70.89 -34.8 71.93 Favored 'General case' 0 C--N 1.327 -0.408 0 C-N-CA 121.088 -0.245 . . . . 0.0 110.712 175.698 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 13.6 t70 -62.33 -40.74 97.35 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 121.17 0.51 . . . . 0.0 109.705 173.213 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 30.2 ttm180 -65.1 -28.7 69.63 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 115.361 -0.836 . . . . 0.0 110.417 174.109 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 89.33 27.81 21.75 Favored Glycine 0 N--CA 1.447 -0.593 0 C-N-CA 120.999 -0.62 . . . . 0.0 112.198 178.114 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -111.42 94.35 4.93 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-O 120.745 0.307 . . . . 0.0 110.495 -179.127 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 68' ' ' MET . . . . . 0.882 ' HE1' ' HA ' ' A' ' 68' ' ' MET . 13.7 mmt -64.34 -51.28 64.16 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.11 -0.495 . . . . 0.0 111.413 -177.503 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 69' ' ' GLU . . . . . 0.463 ' O ' ' HG3' ' A' ' 73' ' ' LYS . 51.7 mt-10 -55.14 -48.28 73.91 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 115.675 -0.693 . . . . 0.0 110.68 179.796 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 25.5 ttm180 -73.57 -21.7 60.28 Favored 'General case' 0 C--N 1.322 -0.601 0 CA-C-N 115.546 -0.752 . . . . 0.0 111.359 -173.781 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -68.79 -45.77 70.43 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-O 120.929 0.395 . . . . 0.0 110.366 176.446 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 72' ' ' ASN . . . . . . . . . . . . . 86.2 m-20 -69.34 -31.58 70.12 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.74 178.006 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 73' ' ' LYS . . . . . 0.463 ' HG3' ' O ' ' A' ' 69' ' ' GLU . 99.3 mttt -68.29 -34.19 75.71 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.569 178.125 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -59.22 -52.65 64.75 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.871 0.367 . . . . 0.0 110.049 170.461 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 57.5 ttt180 -54.41 -50.69 67.0 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 115.235 -0.893 . . . . 0.0 111.713 -179.797 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 30.6 ttp180 -63.38 -36.11 82.62 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.359 -0.382 . . . . 0.0 111.118 -175.969 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 77' ' ' ARG . . . . . 0.503 ' O ' HG21 ' A' ' 81' ' ' VAL . 78.3 mtm180 -69.11 -51.11 41.84 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.45 -0.341 . . . . 0.0 110.576 178.527 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 78' ' ' CYS . . . . . . . . . . . . . 77.8 m -56.83 -45.19 82.51 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.827 0.346 . . . . 0.0 110.436 178.324 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . -60.46 -34.62 86.2 Favored Glycine 0 N--CA 1.45 -0.372 0 CA-C-N 115.997 -0.547 . . . . 0.0 112.63 178.304 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 30.0 tt0 -75.4 -32.87 60.9 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.747 0.274 . . . . 0.0 110.346 179.759 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 81' ' ' VAL . . . . . 0.503 HG21 ' O ' ' A' ' 77' ' ' ARG . 63.9 t -64.87 -41.88 93.35 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 N-CA-C 109.673 -0.492 . . . . 0.0 109.673 174.372 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 82' ' ' PHE . . . . . 0.551 ' HB3' ' HB3' ' A' ' 94' ' ' ASN . 43.9 m-85 -59.47 -45.43 91.65 Favored 'General case' 0 C--N 1.332 -0.162 0 CA-C-O 121.104 0.478 . . . . 0.0 110.261 173.177 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 83' ' ' ARG . . . . . 0.465 ' O ' HG22 ' A' ' 87' ' ' VAL . 79.6 ttt180 -59.14 -44.72 92.09 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 115.772 -0.649 . . . . 0.0 110.5 177.207 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 84' ' ' TYR . . . . . . . . . . . . . 48.7 t80 -58.41 -39.29 79.34 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 115.771 -0.649 . . . . 0.0 110.253 178.099 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 85' ' ' ALA . . . . . 0.49 ' HB3' HD13 ' A' ' 47' ' ' ILE . . . -68.19 -36.37 79.47 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 115.94 -0.573 . . . . 0.0 111.07 178.759 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 86' ' ' ILE . . . . . 0.428 HG13 ' O ' ' A' ' 82' ' ' PHE . 77.0 mt -62.72 -42.72 97.24 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 CA-C-O 120.944 0.402 . . . . 0.0 110.059 175.885 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 87' ' ' VAL . . . . . 0.465 HG22 ' O ' ' A' ' 83' ' ' ARG . 46.7 t -66.72 -37.35 79.32 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.392 0 CA-C-N 116.105 -0.498 . . . . 0.0 111.013 178.599 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 88' ' ' THR . . . . . 0.44 ' OG1' ' HA ' ' A' ' 85' ' ' ALA . 19.4 p -84.59 -0.22 52.48 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.538 -178.281 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . 72.53 17.72 78.05 Favored Glycine 0 C--N 1.331 0.297 0 C-N-CA 120.912 -0.661 . . . . 0.0 112.537 178.5 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 86.0 mtt180 -93.13 -9.87 37.94 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-O 120.877 0.37 . . . . 0.0 110.662 -179.343 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . -145.48 159.72 42.67 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.303 177.833 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 97.2 mttt -115.89 -40.03 3.39 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-O 121.004 0.43 . . . . 0.0 110.385 179.563 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 93' ' ' TYR . . . . . . . . . . . . . 77.0 t80 -133.79 139.49 46.34 Favored 'General case' 0 C--N 1.321 -0.648 0 CA-C-N 116.046 -0.525 . . . . 0.0 110.278 179.85 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 94' ' ' ASN . . . . . 0.551 ' HB3' ' HB3' ' A' ' 82' ' ' PHE . 20.2 p-10 -110.09 128.48 25.3 Favored Pre-proline 0 C--N 1.321 -0.661 0 CA-C-N 115.895 -0.593 . . . . 0.0 110.372 177.836 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 95' ' ' PRO . . . . . . . . . . . . . 60.3 Cg_endo -75.0 39.62 0.6 Allowed 'Trans proline' 0 CA--C 1.531 0.34 0 C-N-CA 122.993 2.462 . . . . 0.0 112.793 -179.767 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 96' ' ' ALA . . . . . 0.553 ' HB2' ' HD3' ' A' ' 97' ' ' PRO . . . -67.57 -47.03 47.18 Favored Pre-proline 0 C--N 1.326 -0.448 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.539 179.046 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 97' ' ' PRO . . . . . 0.553 ' HD3' ' HB2' ' A' ' 96' ' ' ALA . 25.0 Cg_exo -64.47 -34.71 52.5 Favored 'Trans proline' 0 C--N 1.358 1.029 0 C-N-CA 121.83 1.687 . . . . 0.0 111.479 173.471 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 98' ' ' ASP . . . . . 0.472 ' HB3' ' HB3' ' A' ' 52' ' ' PRO . 3.2 m-20 -60.93 -40.86 94.85 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 115.468 -0.787 . . . . 0.0 110.195 177.995 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 99' ' ' LEU . . . . . 0.662 ' HB2' HD22 ' A' ' 55' ' ' LEU . 3.2 tm? -57.54 -45.59 84.87 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 115.683 -0.689 . . . . 0.0 109.91 176.035 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 100' ' ' ALA . . . . . 0.579 ' O ' ' HG3' ' A' ' 104' ' ' LYS . . . -63.5 -47.46 81.64 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-N 115.832 -0.622 . . . . 0.0 110.73 -179.013 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 31.4 t70 -66.26 -38.49 87.96 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.359 -0.382 . . . . 0.0 111.152 -178.49 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -62.99 -42.53 99.87 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.443 -0.344 . . . . 0.0 110.628 177.719 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 103' ' ' MET . . . . . 0.403 ' HE2' HG22 ' A' ' 59' ' ' ILE . 45.9 ttm -56.72 -43.74 80.91 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 115.843 -0.617 . . . . 0.0 110.268 175.734 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 104' ' ' LYS . . . . . 0.579 ' HG3' ' O ' ' A' ' 100' ' ' ALA . 86.8 mttt -65.91 -43.16 88.96 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 115.767 -0.651 . . . . 0.0 110.625 178.643 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 105' ' ' GLY . . . . . . . . . . . . . . . -65.72 -30.67 77.79 Favored Glycine 0 N--CA 1.451 -0.35 0 CA-C-N 115.605 -0.725 . . . . 0.0 112.578 -179.78 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 106' ' ' TYR . . . . . . . . . . . . . 18.6 t80 -76.7 -34.41 58.18 Favored 'General case' 0 C--N 1.325 -0.495 0 N-CA-C 109.733 -0.469 . . . . 0.0 109.733 177.423 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 107' ' ' ARG . . . . . . . . . . . . . 53.7 ttp180 -62.39 -48.0 81.67 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 115.622 -0.717 . . . . 0.0 110.589 176.596 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 108' ' ' LYS . . . . . . . . . . . . . 62.6 tttp -130.27 85.93 2.34 Favored 'General case' 0 C--N 1.322 -0.603 0 CA-C-O 121.547 0.689 . . . . 0.0 109.511 -179.956 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 109' ' ' LYS . . . . . . . . . . . . . 21.1 pttm -71.18 130.21 40.89 Favored 'General case' 0 C--N 1.314 -0.969 0 CA-C-N 114.899 -1.046 . . . . 0.0 110.965 -179.738 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 110' ' ' ASN . . . . . . . . . . . . . 30.3 t30 -112.94 104.46 12.43 Favored 'General case' 0 C--N 1.321 -0.646 0 CA-C-N 115.702 -0.681 . . . . 0.0 109.295 176.472 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 111' ' ' LEU . . . . . . . . . . . . . 46.0 tp -70.17 126.53 29.95 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-N 115.819 -0.628 . . . . 0.0 111.185 -174.662 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 112' ' ' GLU . . . . . . . . . . . . . 8.7 tm-20 -57.25 -42.78 82.15 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 115.523 -0.762 . . . . 0.0 110.706 177.025 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 113' ' ' HIS . . . . . . . . . . . . . 1.3 m80 -84.06 80.52 9.14 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.822 176.847 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 114' ' ' HIS . . . . . . . . . . . . . 48.7 m80 -68.29 131.15 44.85 Favored 'General case' 0 C--N 1.325 -0.461 0 N-CA-C 109.772 -0.455 . . . . 0.0 109.772 177.413 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 115' ' ' HIS . . . . . . . . . . . . . 43.8 m80 -78.88 -21.73 47.03 Favored 'General case' 0 C--N 1.325 -0.483 0 N-CA-C 111.792 0.293 . . . . 0.0 111.792 -173.823 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 116' ' ' HIS . . . . . . . . . . . . . 36.3 m80 69.91 -73.41 0.09 Allowed 'General case' 0 N--CA 1.472 0.648 0 O-C-N 123.526 0.516 . . . . 0.0 110.294 -178.093 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 117' ' ' HIS . . . . . . . . . . . . . 22.9 m170 -125.92 -162.09 1.1 Allowed 'General case' 0 C--N 1.323 -0.574 0 CA-C-N 115.856 -0.611 . . . . 0.0 109.418 177.073 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 118' ' ' HIS . . . . . . . . . . . . . 86.5 m-70 . . . . . 0 C--O 1.251 1.136 0 CA-C-O 118.851 -0.595 . . . . 0.0 110.14 177.833 . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 68.8 m . . . . . 0 N--CA 1.476 0.853 0 CA-C-O 120.897 0.379 . . . . 0.0 110.641 . . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 11.7 p -73.21 144.56 46.73 Favored 'General case' 0 N--CA 1.447 -0.585 0 CA-C-N 116.31 -0.405 . . . . 0.0 110.66 177.628 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 3' ' ' ASN . . . . . . . . . . . . . 93.7 m-20 -84.96 -4.29 59.08 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-O 121.617 0.722 . . . . 0.0 109.299 176.324 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 4' ' ' ASN . . . . . . . . . . . . . 52.3 t-20 -113.44 106.71 14.9 Favored 'General case' 0 C--N 1.322 -0.608 0 CA-C-N 114.838 -1.074 . . . . 0.0 108.301 173.242 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 5' ' ' ASN . . . . . 0.431 ' OD1' ' HD2' ' A' ' 90' ' ' ARG . 93.3 m-20 -98.33 27.53 4.64 Favored 'General case' 0 C--N 1.324 -0.53 0 CA-C-N 116.442 -0.344 . . . . 0.0 111.834 -174.055 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 41.1 m -69.02 151.53 46.37 Favored 'General case' 0 C--O 1.237 0.416 0 N-CA-C 110.082 -0.34 . . . . 0.0 110.082 175.306 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 7' ' ' PHE . . . . . . . . . . . . . 64.1 t80 -56.31 -44.91 80.37 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 115.903 -0.589 . . . . 0.0 111.208 -177.085 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 25.2 p -60.49 -40.0 89.73 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 120.684 0.278 . . . . 0.0 111.737 -177.437 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -61.95 -49.48 75.96 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-O 121.221 0.534 . . . . 0.0 110.887 -179.188 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 10' ' ' ILE . . . . . 0.636 HG21 HH21 ' A' ' 90' ' ' ARG . 68.2 mt -69.77 -37.19 73.0 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 CA-C-N 115.665 -0.698 . . . . 0.0 110.248 179.428 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 1.0 OUTLIER -55.28 -44.99 76.17 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 115.655 -0.702 . . . . 0.0 111.069 176.13 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 60.6 tttm -66.77 -40.39 88.21 Favored 'General case' 0 C--N 1.33 -0.261 0 C-N-CA 120.593 -0.443 . . . . 0.0 111.177 179.803 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 40.5 tt0 -62.63 -48.26 80.13 Favored 'General case' 0 C--O 1.234 0.253 0 CA-C-O 121.113 0.482 . . . . 0.0 110.069 178.849 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 14' ' ' TRP . . . . . 0.435 ' CZ2' ' HG3' ' A' ' 77' ' ' ARG . 54.3 t90 -61.69 -49.0 78.27 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 115.602 -0.726 . . . . 0.0 110.452 176.934 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 15' ' ' TYR . . . . . 0.511 ' CE1' ' HB1' ' A' ' 31' ' ' ALA . 22.3 t80 -57.85 -52.81 63.94 Favored 'General case' 0 C--O 1.223 -0.291 0 CA-C-N 116.39 -0.368 . . . . 0.0 111.592 -178.801 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 41.1 tt0 -61.26 -32.52 72.34 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-O 120.917 0.389 . . . . 0.0 110.931 -175.541 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 17' ' ' HIS . . . . . . . . . . . . . 1.5 t-80 -77.74 -42.48 34.05 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.242 178.473 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 35.5 tptt -75.79 -19.34 59.06 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-O 121.219 0.533 . . . . 0.0 110.528 -177.022 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 41.4 tttm -63.41 -18.88 64.18 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 115.658 -0.701 . . . . 0.0 110.74 176.697 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 80.5 mt-30 -74.38 -16.13 60.9 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.064 -0.517 . . . . 0.0 110.319 176.978 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 40.6 t -95.99 -43.51 12.7 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.437 0 CA-C-N 116.045 -0.525 . . . . 0.0 111.076 -175.67 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 22' ' ' TRP . . . . . . . . . . . . . 12.3 m0 -89.23 170.33 10.69 Favored 'General case' 0 C--N 1.321 -0.634 0 CA-C-N 116.065 -0.516 . . . . 0.0 111.11 -176.889 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 6.4 m -73.24 142.18 47.27 Favored 'General case' 0 C--N 1.324 -0.541 0 N-CA-C 108.994 -0.743 . . . . 0.0 108.994 174.626 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 12.6 p -53.41 -38.08 31.47 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.368 0 N-CA-C 111.974 0.361 . . . . 0.0 111.974 -175.209 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -66.53 -48.95 59.42 Favored Glycine 0 N--CA 1.449 -0.482 0 C-N-CA 120.664 -0.779 . . . . 0.0 112.098 178.723 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 26' ' ' TYR . . . . . . . . . . . . . 66.7 t80 -63.93 -39.25 93.73 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.861 0.362 . . . . 0.0 110.155 179.658 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -62.74 -41.38 99.16 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 115.854 -0.612 . . . . 0.0 110.635 178.464 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 59.6 m -62.88 -47.0 85.23 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.42 -0.355 . . . . 0.0 110.606 178.028 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 27.9 mt-10 -65.81 -42.14 91.01 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.406 -0.361 . . . . 0.0 111.327 -178.947 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 10.3 tt -63.28 -41.52 99.01 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.455 -0.339 . . . . 0.0 110.359 179.667 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 31' ' ' ALA . . . . . 0.511 ' HB1' ' CE1' ' A' ' 15' ' ' TYR . . . -65.56 -48.67 71.6 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.447 -0.342 . . . . 0.0 110.546 177.985 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 86.3 tttt -56.36 -35.62 67.89 Favored 'General case' 0 C--N 1.332 -0.192 0 CA-C-N 116.319 -0.401 . . . . 0.0 110.511 178.681 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 33' ' ' MET . . . . . . . . . . . . . 54.9 ttp -63.34 -52.93 59.77 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 115.937 -0.574 . . . . 0.0 110.797 177.314 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 34' ' ' PHE . . . . . 0.611 ' CD2' HD11 ' A' ' 38' ' ' ILE . 8.3 m-85 -62.72 -38.07 89.01 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-O 121.041 0.448 . . . . 0.0 110.838 178.955 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 35' ' ' ASP . . . . . 0.662 ' HA ' ' HG ' ' A' ' 39' ' ' LEU . 10.8 t70 -62.93 -59.45 4.82 Favored 'General case' 0 C--N 1.32 -0.675 0 CA-C-N 115.828 -0.624 . . . . 0.0 111.075 178.474 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 38.4 t70 -66.93 -33.08 74.8 Favored 'General case' 0 C--N 1.327 -0.373 0 N-CA-C 112.81 0.67 . . . . 0.0 112.81 -168.832 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 7.2 m-20 -100.46 -51.15 3.7 Favored 'General case' 0 C--N 1.325 -0.491 0 N-CA-C 112.164 0.431 . . . . 0.0 112.164 -177.331 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 38' ' ' ILE . . . . . 0.611 HD11 ' CD2' ' A' ' 34' ' ' PHE . 11.5 mt -80.71 -34.5 14.2 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.581 0 N-CA-C 112.507 0.558 . . . . 0.0 112.507 -169.598 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 39' ' ' LEU . . . . . 0.662 ' HG ' ' HA ' ' A' ' 35' ' ' ASP . 21.5 mt -67.87 -41.58 29.2 Favored Pre-proline 0 CA--C 1.54 0.588 0 N-CA-C 112.837 0.68 . . . . 0.0 112.837 -176.367 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 40' ' ' PRO . . . . . 0.46 ' HD3' ' O ' ' A' ' 35' ' ' ASP . 31.3 Cg_exo -62.42 -13.95 36.07 Favored 'Trans proline' 0 C--N 1.354 0.831 0 C-N-CA 121.834 1.689 . . . . 0.0 112.716 174.217 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 41' ' ' ILE . . . . . 0.578 HG23 HG23 ' A' ' 42' ' ' ILE . 46.1 mm -96.85 -56.77 4.92 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.582 -0.281 . . . . 0.0 111.056 -179.606 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 42' ' ' ILE . . . . . 0.578 HG23 HG23 ' A' ' 41' ' ' ILE . 17.0 pt -131.88 12.99 1.75 Allowed 'Isoleucine or valine' 0 N--CA 1.467 0.402 0 N-CA-C 112.608 0.596 . . . . 0.0 112.608 -175.042 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -54.88 -49.96 60.21 Favored Glycine 0 CA--C 1.517 0.177 0 C-N-CA 120.922 -0.656 . . . . 0.0 113.51 -173.888 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -91.78 19.37 48.82 Favored Glycine 0 N--CA 1.447 -0.592 0 C-N-CA 120.702 -0.761 . . . . 0.0 113.024 -177.417 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 45' ' ' LEU . . . . . 0.509 HD11 ' HA ' ' A' ' 42' ' ' ILE . 96.9 mt -100.85 141.87 33.12 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 117.358 0.579 . . . . 0.0 110.625 179.151 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 46' ' ' GLU . . . . . 0.585 ' O ' HG13 ' A' ' 50' ' ' ILE . 45.9 mt-10 -57.05 129.03 39.96 Favored 'General case' 0 CA--C 1.514 -0.418 0 CA-C-N 116.182 -0.463 . . . . 0.0 109.784 174.259 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 47' ' ' ILE . . . . . 0.491 HD13 ' HA ' ' A' ' 82' ' ' PHE . 19.2 tt -55.35 -33.4 31.27 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.599 0 O-C-N 123.604 0.565 . . . . 0.0 112.338 -173.558 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 49.9 tt0 -89.12 -13.75 37.8 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 121.037 0.446 . . . . 0.0 110.916 -179.397 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 7.9 t70 -103.56 5.48 36.71 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-O 121.31 0.576 . . . . 0.0 110.63 -174.686 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 50' ' ' ILE . . . . . 0.585 HG13 ' O ' ' A' ' 46' ' ' GLU . 96.9 mt -73.41 135.3 27.91 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 CA-C-N 115.644 -0.707 . . . . 0.0 110.39 178.066 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 35.8 mt-10 -76.17 145.52 76.9 Favored Pre-proline 0 C--N 1.325 -0.469 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.89 -179.931 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 52' ' ' PRO . . . . . . . . . . . . . 38.9 Cg_exo -57.6 -35.27 98.87 Favored 'Trans proline' 0 N--CA 1.464 -0.236 0 C-N-CA 122.3 2.0 . . . . 0.0 110.908 172.392 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 53' ' ' MET . . . . . . . . . . . . . 50.7 ttm -67.39 -32.62 73.65 Favored 'General case' 0 C--N 1.331 -0.198 0 CA-C-N 115.618 -0.719 . . . . 0.0 110.702 177.606 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 94.0 mt-30 -74.27 -39.73 62.79 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.32 -0.4 . . . . 0.0 110.822 179.752 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 55' ' ' LEU . . . . . 0.41 ' O ' ' HB ' ' A' ' 58' ' ' VAL . 16.4 tp -68.67 -33.5 74.08 Favored 'General case' 0 C--N 1.322 -0.593 0 N-CA-C 109.516 -0.55 . . . . 0.0 109.516 177.615 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 2.3 tm? -68.84 -36.33 78.04 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 115.875 -0.602 . . . . 0.0 109.514 174.007 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 7.7 tp10 -60.9 -38.42 85.64 Favored 'General case' 0 C--N 1.329 -0.303 0 N-CA-C 109.738 -0.467 . . . . 0.0 109.738 175.1 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 58' ' ' VAL . . . . . 0.529 HG11 HG12 ' A' ' 38' ' ' ILE . 54.0 t -60.56 -54.4 35.7 Favored 'Isoleucine or valine' 0 C--O 1.239 0.5 0 CA-C-O 121.464 0.649 . . . . 0.0 110.607 174.313 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 59' ' ' ILE . . . . . 0.52 HG22 ' HE2' ' A' ' 103' ' ' MET . 1.6 mp -57.58 -39.88 71.98 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.41 0 CA-C-N 115.572 -0.74 . . . . 0.0 110.614 178.894 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 60' ' ' ARG . . . . . 0.551 ' HA ' ' HB3' ' A' ' 63' ' ' GLU . 18.9 mtp85 -76.57 -21.06 56.15 Favored 'General case' 0 C--N 1.328 -0.342 0 N-CA-C 111.89 0.33 . . . . 0.0 111.89 -179.508 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 6.8 tpt85 -61.25 -35.88 78.47 Favored 'General case' 0 C--N 1.327 -0.387 0 N-CA-C 108.914 -0.773 . . . . 0.0 108.914 172.93 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 62' ' ' PHE . . . . . . . . . . . . . 96.3 m-85 -82.04 -39.0 24.15 Favored 'General case' 0 C--O 1.236 0.351 0 CA-C-N 115.518 -0.764 . . . . 0.0 111.407 173.09 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 63' ' ' GLU . . . . . 0.551 ' HB3' ' HA ' ' A' ' 60' ' ' ARG . 29.6 tt0 -56.03 -43.97 78.29 Favored 'General case' 0 N--CA 1.467 0.399 0 CA-C-N 116.111 -0.495 . . . . 0.0 111.98 -177.366 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 20.3 t70 -59.3 -29.11 67.38 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.001 -0.545 . . . . 0.0 111.635 -174.213 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 75.3 mtm-85 -91.52 1.82 56.87 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.751 0.31 . . . . 0.0 111.334 -179.607 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 81.97 9.75 84.9 Favored Glycine 0 N--CA 1.452 -0.289 0 C-N-CA 120.767 -0.73 . . . . 0.0 112.413 179.008 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -82.4 71.63 9.47 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-O 120.951 0.405 . . . . 0.0 110.49 -179.383 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 68' ' ' MET . . . . . 0.898 ' HA ' ' HE3' ' A' ' 68' ' ' MET . 8.8 mmt -60.33 -41.32 93.29 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 115.804 -0.634 . . . . 0.0 111.005 -178.93 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 10.2 tt0 -57.87 -49.97 74.91 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.065 -0.516 . . . . 0.0 110.503 -179.826 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 70' ' ' ARG . . . . . 0.502 ' N ' ' HD2' ' A' ' 70' ' ' ARG . 1.5 mpt_? -72.83 -26.53 61.52 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-N 115.865 -0.607 . . . . 0.0 111.095 -175.117 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -67.46 -41.55 84.48 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-O 121.097 0.475 . . . . 0.0 110.24 175.132 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 72' ' ' ASN . . . . . . . . . . . . . 44.1 m-80 -75.03 -37.57 61.69 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.048 -0.524 . . . . 0.0 110.696 178.193 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 87.3 mttt -61.05 -44.57 97.2 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.506 -0.316 . . . . 0.0 110.519 175.463 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -59.8 -45.07 93.47 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.305 -0.407 . . . . 0.0 110.175 176.34 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 76.4 ttt180 -56.81 -50.46 72.3 Favored 'General case' 0 CA--C 1.533 0.297 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.253 177.584 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 76' ' ' ARG . . . . . 0.409 HH11 ' HD3' ' A' ' 76' ' ' ARG . 50.1 mtt180 -61.63 -47.17 86.63 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 121.053 0.454 . . . . 0.0 111.317 179.311 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 77' ' ' ARG . . . . . 0.439 ' O ' HG21 ' A' ' 81' ' ' VAL . 0.0 OUTLIER -74.77 -37.31 62.47 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-N 115.788 -0.642 . . . . 0.0 112.144 -172.171 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 78' ' ' CYS . . . . . . . . . . . . . 28.2 p -65.02 -46.27 82.03 Favored 'General case' 0 C--N 1.33 -0.26 0 C-N-CA 120.279 -0.568 . . . . 0.0 109.839 179.677 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . -56.65 -35.64 68.07 Favored Glycine 0 C--N 1.334 0.453 0 C-N-CA 120.769 -0.729 . . . . 0.0 111.741 175.622 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 35.6 tt0 -66.55 -45.46 79.3 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 115.734 -0.233 . . . . 0.0 110.649 177.285 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 81' ' ' VAL . . . . . 0.439 HG21 ' O ' ' A' ' 77' ' ' ARG . 87.2 t -63.14 -44.04 99.2 Favored 'Isoleucine or valine' 0 C--O 1.235 0.302 0 CA-C-O 120.844 0.354 . . . . 0.0 110.522 177.811 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 82' ' ' PHE . . . . . 0.491 ' HA ' HD13 ' A' ' 47' ' ' ILE . 5.7 m-85 -57.79 -48.03 80.86 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.495 176.621 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 83' ' ' ARG . . . . . 0.477 ' O ' HG23 ' A' ' 87' ' ' VAL . 42.2 ttm180 -65.83 -35.77 81.61 Favored 'General case' 0 C--N 1.323 -0.554 0 CA-C-N 115.891 -0.595 . . . . 0.0 110.757 179.17 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 84' ' ' TYR . . . . . . . . . . . . . 36.7 t80 -59.08 -40.7 86.08 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 115.923 -0.58 . . . . 0.0 110.069 178.151 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 85' ' ' ALA . . . . . 0.408 ' HA ' HG21 ' A' ' 88' ' ' THR . . . -71.01 -26.68 63.22 Favored 'General case' 0 N--CA 1.453 -0.31 0 CA-C-N 115.575 -0.739 . . . . 0.0 110.864 178.259 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 86' ' ' ILE . . . . . 0.645 ' HA ' ' O ' ' A' ' 91' ' ' ALA . 73.4 mt -71.55 -41.65 72.23 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.38 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.365 176.243 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 87' ' ' VAL . . . . . 0.477 HG23 ' O ' ' A' ' 83' ' ' ARG . 66.1 t -61.51 -39.92 84.66 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 115.921 -0.581 . . . . 0.0 110.973 179.24 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 88' ' ' THR . . . . . 0.495 HG23 ' HG2' ' A' ' 90' ' ' ARG . 10.1 t -84.08 -5.94 59.32 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-O 120.88 0.371 . . . . 0.0 111.101 179.391 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . 86.08 14.83 66.06 Favored Glycine 0 CA--C 1.521 0.445 0 N-CA-C 114.955 0.742 . . . . 0.0 114.955 170.344 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 90' ' ' ARG . . . . . 0.636 HH21 HG21 ' A' ' 10' ' ' ILE . 16.2 ptt-85 -105.24 7.3 33.5 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 118.165 0.983 . . . . 0.0 110.741 178.177 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 91' ' ' ALA . . . . . 0.645 ' O ' ' HA ' ' A' ' 86' ' ' ILE . . . -146.06 146.8 31.07 Favored 'General case' 0 C--N 1.322 -0.627 0 N-CA-C 108.255 -1.017 . . . . 0.0 108.255 170.319 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 81.9 tttt -127.66 -6.84 5.69 Favored 'General case' 0 C--N 1.321 -0.639 0 C-N-CA 120.39 -0.524 . . . . 0.0 111.527 -179.288 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 93' ' ' TYR . . . . . . . . . . . . . 78.0 t80 -144.1 127.22 16.56 Favored 'General case' 0 C--N 1.322 -0.595 0 CA-C-O 120.857 0.36 . . . . 0.0 110.755 -179.62 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 94' ' ' ASN . . . . . 0.419 ' HB3' ' HB3' ' A' ' 82' ' ' PHE . 14.6 p-10 -114.12 117.96 42.87 Favored Pre-proline 0 C--N 1.32 -0.716 0 CA-C-N 115.745 -0.661 . . . . 0.0 109.504 174.23 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 95' ' ' PRO . . . . . 0.455 ' HD2' ' CD2' ' A' ' 82' ' ' PHE . 56.5 Cg_endo -70.8 43.8 0.47 Allowed 'Trans proline' 0 CA--C 1.529 0.253 0 C-N-CA 123.133 2.556 . . . . 0.0 112.404 179.717 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 96' ' ' ALA . . . . . 0.492 ' N ' ' HD2' ' A' ' 97' ' ' PRO . . . -67.64 -48.97 41.91 Favored Pre-proline 0 C--N 1.324 -0.514 0 CA-C-N 116.091 -0.504 . . . . 0.0 111.46 -179.653 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 97' ' ' PRO . . . . . 0.492 ' HD2' ' N ' ' A' ' 96' ' ' ALA . 25.8 Cg_endo -63.65 -33.77 65.59 Favored 'Trans proline' 0 C--N 1.358 1.029 0 C-N-CA 121.584 1.523 . . . . 0.0 111.283 174.115 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 5.1 m-20 -62.88 -45.14 93.96 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 115.652 -0.704 . . . . 0.0 110.294 177.767 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 99' ' ' LEU . . . . . . . . . . . . . 3.3 tm? -56.86 -39.8 74.98 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 115.666 -0.697 . . . . 0.0 110.228 177.649 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 100' ' ' ALA . . . . . . . . . . . . . . . -64.29 -44.76 90.66 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 115.869 -0.605 . . . . 0.0 111.144 -179.645 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 32.4 m-20 -73.19 -31.85 64.45 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.306 -0.406 . . . . 0.0 110.835 179.674 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -65.01 -50.34 66.65 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 116.387 -0.37 . . . . 0.0 110.683 177.13 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 103' ' ' MET . . . . . 0.52 ' HE2' HG22 ' A' ' 59' ' ' ILE . 45.6 ttm -57.94 -35.18 70.75 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-O 121.287 0.565 . . . . 0.0 110.709 177.807 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 104' ' ' LYS . . . . . . . . . . . . . 86.8 tttt -73.96 -49.97 22.12 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-N 115.717 -0.674 . . . . 0.0 111.2 179.838 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 105' ' ' GLY . . . . . . . . . . . . . . . -75.46 -30.17 58.79 Favored Glycine 0 N--CA 1.451 -0.329 0 CA-C-N 115.947 -0.57 . . . . 0.0 113.528 -174.288 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 106' ' ' TYR . . . . . . . . . . . . . 23.8 t80 -69.54 -31.68 70.04 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-O 120.982 0.42 . . . . 0.0 110.493 -177.793 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 107' ' ' ARG . . . . . . . . . . . . . 93.0 mtt180 -81.41 12.54 3.57 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.27 -0.423 . . . . 0.0 111.208 -179.553 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 108' ' ' LYS . . . . . . . . . . . . . 2.7 ttpm? -88.16 -5.55 58.36 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-O 121.632 0.729 . . . . 0.0 109.249 173.82 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 109' ' ' LYS . . . . . . . . . . . . . 65.8 mttp -99.08 157.2 16.51 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 115.452 -0.795 . . . . 0.0 109.831 173.071 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 110' ' ' ASN . . . . . . . . . . . . . 15.1 m120 -106.43 -1.68 22.93 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-O 121.339 0.59 . . . . 0.0 110.041 178.78 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 111' ' ' LEU . . . . . . . . . . . . . 28.9 tp -141.67 134.79 29.16 Favored 'General case' 0 C--N 1.322 -0.625 0 CA-C-N 115.531 -0.759 . . . . 0.0 109.276 179.216 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 112' ' ' GLU . . . . . . . . . . . . . 34.4 tt0 -53.37 -41.23 65.67 Favored 'General case' 0 N--CA 1.466 0.343 0 O-C-N 123.629 0.58 . . . . 0.0 111.486 -177.637 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 113' ' ' HIS . . . . . . . . . . . . . 86.1 m-70 -121.53 174.69 6.62 Favored 'General case' 0 C--N 1.326 -0.455 0 N-CA-C 109.376 -0.601 . . . . 0.0 109.376 179.176 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 114' ' ' HIS . . . . . . . . . . . . . 21.0 m-70 -80.82 -44.7 18.07 Favored 'General case' 0 C--N 1.323 -0.583 0 C-N-CA 120.878 -0.329 . . . . 0.0 110.167 -179.707 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 115' ' ' HIS . . . . . . . . . . . . . 69.5 m-70 65.67 16.69 10.61 Favored 'General case' 0 N--CA 1.467 0.42 0 CA-C-N 115.617 -0.72 . . . . 0.0 111.707 -179.052 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 116' ' ' HIS . . . . . . . . . . . . . 67.9 m-70 -112.89 116.18 29.61 Favored 'General case' 0 C--N 1.325 -0.49 0 N-CA-C 108.434 -0.95 . . . . 0.0 108.434 172.288 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 117' ' ' HIS . . . . . . . . . . . . . 68.5 m80 -118.32 95.4 4.86 Favored 'General case' 0 C--N 1.32 -0.705 0 CA-C-O 121.065 0.46 . . . . 0.0 111.869 -172.782 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 118' ' ' HIS . . . . . . . . . . . . . 76.6 t60 . . . . . 0 C--O 1.248 0.991 0 CA-C-N 115.508 -0.769 . . . . 0.0 109.558 175.759 . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 25.7 m . . . . . 0 N--CA 1.474 0.729 0 CA-C-O 121.07 0.462 . . . . 0.0 110.319 . . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 13.1 m -86.23 -36.1 19.62 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 116.01 -0.541 . . . . 0.0 110.48 -178.642 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 3' ' ' ASN . . . . . . . . . . . . . 84.9 m-20 -123.89 143.39 50.39 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 115.89 -0.595 . . . . 0.0 110.364 -179.401 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 4' ' ' ASN . . . . . . . . . . . . . 46.6 t-20 -128.48 137.55 51.85 Favored 'General case' 0 C--N 1.319 -0.736 0 N-CA-C 108.59 -0.892 . . . . 0.0 108.59 178.006 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 93.4 m-20 -85.54 18.79 2.62 Favored 'General case' 0 C--N 1.326 -0.444 0 N-CA-C 111.8 0.296 . . . . 0.0 111.8 -174.762 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 6' ' ' SER . . . . . 0.434 ' HA ' ' HA ' ' A' ' 46' ' ' GLU . 67.2 p -64.84 141.34 58.81 Favored 'General case' 0 C--N 1.327 -0.406 0 N-CA-C 109.794 -0.447 . . . . 0.0 109.794 176.413 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 7' ' ' PHE . . . . . 0.483 ' O ' ' HB3' ' A' ' 11' ' ' TYR . 35.0 t80 -60.13 -32.99 71.53 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.424 -177.946 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 8' ' ' SER . . . . . 0.514 ' O ' ' HD1' ' A' ' 11' ' ' TYR . 13.4 p -56.02 -46.74 78.69 Favored 'General case' 0 C--O 1.237 0.435 0 CA-C-O 121.493 0.663 . . . . 0.0 110.963 176.359 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -60.36 -53.05 62.19 Favored 'General case' 0 C--N 1.323 -0.548 0 CA-C-N 115.529 -0.76 . . . . 0.0 110.463 -179.564 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 10' ' ' ILE . . . . . 0.76 HG12 HH11 ' A' ' 90' ' ' ARG . 25.2 mt -70.61 -33.03 51.52 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.581 0 CA-C-N 115.544 -0.753 . . . . 0.0 111.605 -174.512 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 11' ' ' TYR . . . . . 0.514 ' HD1' ' O ' ' A' ' 8' ' ' SER . 0.0 OUTLIER -62.59 -38.58 90.71 Favored 'General case' 0 C--N 1.332 -0.179 0 C-N-CA 121.219 -0.193 . . . . 0.0 110.652 -179.369 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 47.5 tttm -77.48 -39.93 44.73 Favored 'General case' 0 C--N 1.33 -0.241 0 C-N-CA 120.246 -0.582 . . . . 0.0 110.907 179.484 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 44.6 mt-10 -61.96 -42.8 99.53 Favored 'General case' 0 C--O 1.234 0.284 0 CA-C-O 120.807 0.337 . . . . 0.0 110.375 177.539 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 14' ' ' TRP . . . . . . . . . . . . . 52.1 t90 -61.81 -50.69 71.31 Favored 'General case' 0 C--O 1.236 0.365 0 CA-C-N 115.92 -0.582 . . . . 0.0 110.657 176.163 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 15' ' ' TYR . . . . . 0.486 ' O ' ' HB2' ' A' ' 19' ' ' LYS . 26.4 t80 -56.25 -56.79 16.72 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.062 -0.517 . . . . 0.0 111.299 -179.593 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 41.8 mt-10 -68.1 -15.81 63.75 Favored 'General case' 0 C--N 1.328 -0.346 0 N-CA-C 111.782 0.29 . . . . 0.0 111.782 -174.959 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 17' ' ' HIS . . . . . . . . . . . . . 35.3 t60 -77.85 -60.29 2.43 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-O 120.927 0.394 . . . . 0.0 110.183 174.133 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 70.7 tttt -78.27 -0.33 28.3 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 121.498 0.666 . . . . 0.0 110.31 -175.374 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 19' ' ' LYS . . . . . 0.486 ' HB2' ' O ' ' A' ' 15' ' ' TYR . 81.3 tttt -61.03 -24.87 66.51 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 115.044 -0.98 . . . . 0.0 110.226 174.302 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 85.0 mm-40 -75.57 -10.47 59.47 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 115.675 -0.693 . . . . 0.0 111.09 179.503 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 61.5 t -97.9 -50.23 11.32 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.397 0 CA-C-N 116.372 -0.376 . . . . 0.0 111.174 -176.737 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 22' ' ' TRP . . . . . . . . . . . . . 11.1 m0 -84.33 155.32 22.42 Favored 'General case' 0 C--N 1.323 -0.558 0 CA-C-N 116.398 -0.365 . . . . 0.0 110.908 -177.377 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 26.3 m -63.31 139.38 58.76 Favored 'General case' 0 C--N 1.327 -0.391 0 N-CA-C 109.507 -0.553 . . . . 0.0 109.507 173.736 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 13.4 p -49.85 -37.99 13.34 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.398 0 N-CA-C 112.204 0.446 . . . . 0.0 112.204 -175.468 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -62.45 -56.74 19.93 Favored Glycine 0 N--CA 1.45 -0.412 0 C-N-CA 120.777 -0.725 . . . . 0.0 112.193 179.153 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 26' ' ' TYR . . . . . . . . . . . . . 77.6 t80 -65.23 -37.67 87.99 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.487 0.184 . . . . 0.0 110.724 -179.309 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -59.92 -47.42 85.83 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.344 -0.389 . . . . 0.0 110.841 179.801 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 23.6 m -67.96 -41.64 82.14 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.328 -0.397 . . . . 0.0 111.182 -178.952 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 44.7 mt-10 -67.73 -36.35 80.42 Favored 'General case' 0 C--O 1.235 0.291 0 CA-C-O 120.727 0.299 . . . . 0.0 110.907 178.764 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 9.3 tt -62.48 -44.08 97.26 Favored 'General case' 0 C--O 1.234 0.279 0 N-CA-C 109.648 -0.501 . . . . 0.0 109.648 174.949 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -64.88 -39.36 93.41 Favored 'General case' 0 N--CA 1.453 -0.324 0 CA-C-N 115.654 -0.703 . . . . 0.0 110.604 177.926 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 65.3 tttm -60.02 -50.07 75.17 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.505 -0.316 . . . . 0.0 110.937 179.367 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 33' ' ' MET . . . . . . . . . . . . . 59.3 ttp -61.58 -41.01 96.8 Favored 'General case' 0 C--O 1.234 0.276 0 CA-C-O 121.346 0.593 . . . . 0.0 110.257 178.475 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 34' ' ' PHE . . . . . 0.531 ' O ' ' HB ' ' A' ' 38' ' ' ILE . 35.3 t80 -64.4 -49.27 72.23 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 115.459 -0.791 . . . . 0.0 110.38 -179.799 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 35' ' ' ASP . . . . . 0.515 ' HA ' ' HB2' ' A' ' 39' ' ' LEU . 10.9 t70 -71.64 -49.34 40.97 Favored 'General case' 0 C--N 1.32 -0.683 0 CA-C-N 116.426 -0.352 . . . . 0.0 111.595 -177.002 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 32.6 t70 -61.82 -36.7 81.93 Favored 'General case' 0 C--N 1.32 -0.688 0 N-CA-C 111.949 0.351 . . . . 0.0 111.949 -172.602 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 4.3 m-20 -100.8 -48.04 4.61 Favored 'General case' 0 C--N 1.329 -0.297 0 N-CA-C 112.576 0.584 . . . . 0.0 112.576 -178.684 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 38' ' ' ILE . . . . . 0.531 ' HB ' ' O ' ' A' ' 34' ' ' PHE . 19.5 mt -80.21 -34.56 15.0 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.401 0 N-CA-C 112.085 0.402 . . . . 0.0 112.085 -170.609 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 39' ' ' LEU . . . . . 0.515 ' HB2' ' HA ' ' A' ' 35' ' ' ASP . 0.4 OUTLIER -63.06 -47.9 85.21 Favored Pre-proline 0 CA--C 1.544 0.712 0 CA-C-O 119.598 -0.239 . . . . 0.0 111.62 -175.56 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 40' ' ' PRO . . . . . 0.499 ' HD3' ' O ' ' A' ' 35' ' ' ASP . 27.7 Cg_exo -64.46 -11.41 28.3 Favored 'Trans proline' 0 C--N 1.355 0.879 0 C-N-CA 121.802 1.668 . . . . 0.0 113.032 177.768 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 41' ' ' ILE . . . . . 0.631 HG22 HG23 ' A' ' 42' ' ' ILE . 48.2 mm -91.78 -57.32 4.38 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.245 0 CA-C-O 120.532 0.206 . . . . 0.0 111.002 -179.254 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 42' ' ' ILE . . . . . 0.631 HG23 HG22 ' A' ' 41' ' ' ILE . 13.5 pt -129.3 5.24 2.6 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.199 0 N-CA-C 112.38 0.511 . . . . 0.0 112.38 -175.419 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 43' ' ' GLY . . . . . 0.442 ' HA3' HD23 ' A' ' 39' ' ' LEU . . . -60.46 -37.73 93.71 Favored Glycine 0 N--CA 1.451 -0.349 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.802 -174.993 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -86.3 5.07 85.32 Favored Glycine 0 N--CA 1.444 -0.787 0 C-N-CA 120.538 -0.839 . . . . 0.0 112.832 -179.746 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 45' ' ' LEU . . . . . 0.448 HD12 ' HA ' ' A' ' 42' ' ' ILE . 91.0 mt -96.26 146.56 24.61 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 117.142 0.471 . . . . 0.0 110.621 -177.917 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 46' ' ' GLU . . . . . 0.622 ' O ' HG13 ' A' ' 50' ' ' ILE . 41.7 mt-10 -67.5 138.69 56.76 Favored 'General case' 0 C--N 1.327 -0.409 0 N-CA-C 109.228 -0.656 . . . . 0.0 109.228 175.512 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 47' ' ' ILE . . . . . 0.428 HD13 ' HB1' ' A' ' 85' ' ' ALA . 15.5 tt -64.39 -19.15 24.44 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.63 0 CA-C-O 120.98 0.419 . . . . 0.0 111.356 -176.366 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 61.5 mt-30 -89.42 -10.98 44.46 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-O 120.998 0.428 . . . . 0.0 110.353 176.905 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 3.6 t70 -122.38 14.84 10.43 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 116.047 -0.524 . . . . 0.0 110.93 -168.177 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 50' ' ' ILE . . . . . 0.622 HG13 ' O ' ' A' ' 46' ' ' GLU . 85.0 mt -82.79 125.44 39.98 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.417 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.925 -179.139 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 51' ' ' GLU . . . . . 1.0 ' HB2' ' HB2' ' A' ' 54' ' ' GLN . 12.6 mm-40 -66.28 132.69 94.43 Favored Pre-proline 0 C--N 1.323 -0.582 0 CA-C-N 115.362 -0.835 . . . . 0.0 109.969 177.491 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 52' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_exo -54.84 -39.4 90.23 Favored 'Trans proline' 0 N--CA 1.464 -0.252 0 C-N-CA 122.323 2.015 . . . . 0.0 111.649 171.683 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 53' ' ' MET . . . . . . . . . . . . . 68.3 mtm -73.53 -22.34 60.13 Favored 'General case' 0 C--O 1.226 -0.15 0 CA-C-O 120.681 0.277 . . . . 0.0 110.979 176.288 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 54' ' ' GLN . . . . . 1.0 ' HB2' ' HB2' ' A' ' 51' ' ' GLU . 32.7 tp60 -76.19 -40.98 51.01 Favored 'General case' 0 C--N 1.326 -0.449 0 N-CA-C 108.844 -0.799 . . . . 0.0 108.844 176.699 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 55' ' ' LEU . . . . . 0.427 ' O ' ' HB ' ' A' ' 58' ' ' VAL . 34.4 tp -65.78 -33.49 75.98 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-N 115.301 -0.863 . . . . 0.0 108.977 172.733 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 56' ' ' LEU . . . . . 0.465 HD11 ' O ' ' A' ' 56' ' ' LEU . 3.1 tm? -64.82 -34.73 79.06 Favored 'General case' 0 C--O 1.215 -0.735 0 CA-C-N 115.7 -0.682 . . . . 0.0 109.441 173.821 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 28.6 tt0 -62.23 -31.9 72.51 Favored 'General case' 0 C--N 1.33 -0.274 0 N-CA-C 110.277 -0.268 . . . . 0.0 110.277 177.996 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 58' ' ' VAL . . . . . 0.576 ' O ' ' HB3' ' A' ' 61' ' ' ARG . 71.4 t -60.47 -55.34 25.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-O 121.336 0.589 . . . . 0.0 110.49 171.008 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 59' ' ' ILE . . . . . 0.517 HG21 ' HB1' ' A' ' 71' ' ' ALA . 1.8 mp -59.24 -42.31 86.62 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.441 0 CA-C-N 115.684 -0.689 . . . . 0.0 110.407 178.373 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 48.2 ttp85 -68.26 -29.46 68.26 Favored 'General case' 0 C--N 1.323 -0.569 0 CA-C-N 115.211 -0.904 . . . . 0.0 110.578 -179.073 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 61' ' ' ARG . . . . . 0.576 ' HB3' ' O ' ' A' ' 58' ' ' VAL . 25.0 tpt180 -58.21 -40.18 80.91 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 115.999 -0.546 . . . . 0.0 109.846 171.583 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 62' ' ' PHE . . . . . 0.489 ' HA ' ' HD3' ' A' ' 65' ' ' ARG . 92.2 m-85 -77.81 -24.33 48.8 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-N 115.977 -0.556 . . . . 0.0 111.205 176.82 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 39.9 mt-10 -65.1 -41.51 94.88 Favored 'General case' 0 N--CA 1.464 0.24 0 CA-C-O 120.615 0.245 . . . . 0.0 110.685 175.321 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 28.6 m-20 -58.05 -28.53 64.6 Favored 'General case' 0 N--CA 1.466 0.334 0 CA-C-O 121.102 0.477 . . . . 0.0 110.449 176.433 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 65' ' ' ARG . . . . . 0.489 ' HD3' ' HA ' ' A' ' 62' ' ' PHE . 24.8 mtp180 -83.85 -35.18 24.38 Favored 'General case' 0 C--N 1.323 -0.551 0 CA-C-N 115.348 -0.842 . . . . 0.0 110.92 179.689 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 99.79 3.76 55.94 Favored Glycine 0 N--CA 1.448 -0.527 0 N-CA-C 111.234 -0.746 . . . . 0.0 111.234 -176.491 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -83.25 87.91 6.94 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-N 115.437 -0.382 . . . . 0.0 110.464 -179.717 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 68' ' ' MET . . . . . 0.561 ' HA ' ' HE3' ' A' ' 68' ' ' MET . 0.0 OUTLIER -69.78 -42.81 73.29 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-N 116.3 -0.409 . . . . 0.0 110.393 -177.121 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 30.3 mt-10 -54.3 -55.3 29.69 Favored 'General case' 0 CA--C 1.516 -0.331 0 CA-C-N 115.941 -0.572 . . . . 0.0 111.093 175.823 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 70' ' ' ARG . . . . . 0.521 ' HA ' ' HB2' ' A' ' 73' ' ' LYS . 82.3 mtt180 -74.55 -12.47 60.48 Favored 'General case' 0 C--N 1.321 -0.641 0 CA-C-N 115.487 -0.778 . . . . 0.0 111.339 -170.963 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 71' ' ' ALA . . . . . 0.517 ' HB1' HG21 ' A' ' 59' ' ' ILE . . . -74.89 -48.4 25.0 Favored 'General case' 0 C--N 1.327 -0.404 0 N-CA-C 109.501 -0.555 . . . . 0.0 109.501 171.281 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 72' ' ' ASN . . . . . . . . . . . . . 94.0 m-20 -69.64 -35.47 75.25 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 115.98 -0.555 . . . . 0.0 110.483 177.077 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 73' ' ' LYS . . . . . 0.521 ' HB2' ' HA ' ' A' ' 70' ' ' ARG . 97.6 mttt -68.26 -25.38 65.15 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.656 176.569 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -67.37 -54.86 16.83 Favored 'General case' 0 C--N 1.329 -0.32 0 N-CA-C 109.436 -0.579 . . . . 0.0 109.436 172.577 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 75' ' ' ARG . . . . . 0.415 HH11 ' HD3' ' A' ' 75' ' ' ARG . 30.1 ttt180 -53.76 -43.58 69.3 Favored 'General case' 0 C--N 1.332 -0.175 0 CA-C-N 115.596 -0.729 . . . . 0.0 111.083 177.079 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 28.7 ttm180 -60.46 -48.71 80.59 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.137 -178.486 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 77' ' ' ARG . . . . . 0.493 ' O ' HG22 ' A' ' 81' ' ' VAL . 87.9 mtm180 -64.14 -46.4 84.28 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.766 -179.263 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 78' ' ' CYS . . . . . . . . . . . . . 77.4 m -62.24 -35.44 78.94 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.379 -0.373 . . . . 0.0 110.569 178.219 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . -61.59 -39.46 97.39 Favored Glycine 0 N--CA 1.452 -0.254 0 C-N-CA 121.3 -0.476 . . . . 0.0 112.244 177.432 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 42.8 tt0 -70.53 -36.08 73.52 Favored 'General case' 0 C--N 1.328 -0.363 0 N-CA-C 109.889 -0.412 . . . . 0.0 109.889 176.898 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 81' ' ' VAL . . . . . 0.493 HG22 ' O ' ' A' ' 77' ' ' ARG . 97.1 t -60.56 -43.37 94.4 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.201 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.218 174.223 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 82' ' ' PHE . . . . . 0.449 ' O ' HG13 ' A' ' 86' ' ' ILE . 22.4 m-85 -60.51 -45.67 92.96 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 115.971 -0.558 . . . . 0.0 110.36 175.814 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 83' ' ' ARG . . . . . 0.471 ' O ' HG23 ' A' ' 87' ' ' VAL . 34.5 ttm180 -61.6 -41.25 97.17 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.465 178.543 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 84' ' ' TYR . . . . . . . . . . . . . 10.5 t80 -55.27 -40.54 71.13 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 115.796 -0.638 . . . . 0.0 109.707 177.218 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 85' ' ' ALA . . . . . 0.428 ' HB1' HD13 ' A' ' 47' ' ' ILE . . . -71.07 -37.75 72.46 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 115.476 -0.784 . . . . 0.0 111.221 177.899 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 86' ' ' ILE . . . . . 0.449 HG13 ' O ' ' A' ' 82' ' ' PHE . 85.9 mt -61.84 -43.77 97.85 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 CA-C-O 121.036 0.446 . . . . 0.0 110.611 177.745 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 87' ' ' VAL . . . . . 0.471 HG23 ' O ' ' A' ' 83' ' ' ARG . 55.7 t -66.37 -38.65 82.26 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.046 -0.525 . . . . 0.0 111.075 179.348 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 88' ' ' THR . . . . . . . . . . . . . 19.8 p -79.94 -11.4 59.8 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 116.275 -0.421 . . . . 0.0 111.392 -178.802 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . 87.88 13.51 64.46 Favored Glycine 0 N--CA 1.453 -0.204 0 C-N-CA 120.898 -0.667 . . . . 0.0 112.499 179.243 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 90' ' ' ARG . . . . . 0.76 HH11 HG12 ' A' ' 10' ' ' ILE . 99.3 mtt180 -86.91 -16.09 37.01 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-O 120.694 0.283 . . . . 0.0 110.968 -179.487 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . -143.0 159.61 41.91 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-O 120.769 0.319 . . . . 0.0 110.962 -179.61 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 67.1 mttm -119.05 -38.9 2.99 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 116.071 -0.513 . . . . 0.0 110.45 179.261 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 93' ' ' TYR . . . . . . . . . . . . . 85.7 t80 -128.01 137.77 52.34 Favored 'General case' 0 C--N 1.323 -0.579 0 CA-C-N 115.955 -0.566 . . . . 0.0 109.729 178.861 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 94' ' ' ASN . . . . . 0.477 ' C ' ' H ' ' A' ' 96' ' ' ALA . 19.6 p-10 -100.41 125.26 39.92 Favored Pre-proline 0 C--N 1.319 -0.75 0 N-CA-C 109.462 -0.57 . . . . 0.0 109.462 175.449 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 95' ' ' PRO . . . . . 0.421 ' HD3' ' HA ' ' A' ' 94' ' ' ASN . 16.8 Cg_exo -69.11 26.59 0.16 Allowed 'Trans proline' 0 CA--C 1.531 0.372 0 C-N-CA 123.245 2.63 . . . . 0.0 113.19 -177.621 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 96' ' ' ALA . . . . . 0.579 ' HB2' ' HD3' ' A' ' 97' ' ' PRO . . . -70.53 -49.26 16.21 Favored Pre-proline 0 C--N 1.326 -0.44 0 N-CA-C 112.043 0.386 . . . . 0.0 112.043 -178.617 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 97' ' ' PRO . . . . . 0.579 ' HD3' ' HB2' ' A' ' 96' ' ' ALA . 34.0 Cg_exo -60.26 -44.89 25.64 Favored 'Trans proline' 0 C--N 1.355 0.897 0 C-N-CA 121.937 1.758 . . . . 0.0 112.359 176.857 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 26.7 t70 -71.71 -21.54 61.76 Favored 'General case' 0 C--N 1.332 -0.193 0 CA-C-O 120.944 0.402 . . . . 0.0 110.617 -179.498 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 99' ' ' LEU . . . . . . . . . . . . . 3.3 tm? -62.77 -38.2 89.66 Favored 'General case' 0 C--N 1.33 -0.278 0 N-CA-C 109.175 -0.676 . . . . 0.0 109.175 172.963 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 100' ' ' ALA . . . . . . . . . . . . . . . -68.12 -38.19 81.96 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 115.885 -0.598 . . . . 0.0 110.157 177.644 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 4.7 m-20 -65.76 -37.5 86.51 Favored 'General case' 0 CA--C 1.519 -0.244 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.597 175.574 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 102' ' ' ALA . . . . . 0.402 ' O ' ' HB3' ' A' ' 106' ' ' TYR . . . -66.24 -45.87 79.14 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 116.291 -0.413 . . . . 0.0 110.344 176.2 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 103' ' ' MET . . . . . 0.481 ' HE2' HG23 ' A' ' 59' ' ' ILE . 53.9 ttm -60.11 -23.94 64.25 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-O 121.213 0.53 . . . . 0.0 110.985 177.936 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 104' ' ' LYS . . . . . . . . . . . . . 63.5 tttp -90.32 -56.74 3.09 Favored 'General case' 0 C--N 1.323 -0.583 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.981 179.501 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 105' ' ' GLY . . . . . . . . . . . . . . . -79.61 -36.57 25.82 Favored Glycine 0 CA--C 1.518 0.233 0 CA-C-N 115.778 -0.646 . . . . 0.0 113.794 -173.118 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 106' ' ' TYR . . . . . 0.402 ' HB3' ' O ' ' A' ' 102' ' ' ALA . 85.3 t80 -75.7 -30.4 59.32 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 117.22 0.51 . . . . 0.0 110.536 -178.281 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 107' ' ' ARG . . . . . . . . . . . . . 27.8 mtm180 -79.81 -0.08 33.06 Favored 'General case' 0 C--N 1.33 -0.262 0 C-N-CA 120.537 -0.465 . . . . 0.0 110.704 178.074 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 108' ' ' LYS . . . . . . . . . . . . . 28.6 ttpp -75.55 -6.86 52.4 Favored 'General case' 0 C--N 1.332 -0.172 0 CA-C-O 121.95 0.881 . . . . 0.0 109.019 172.338 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 109' ' ' LYS . . . . . . . . . . . . . 48.8 tttp -73.46 -21.58 60.4 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 114.646 -1.161 . . . . 0.0 109.415 173.552 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 110' ' ' ASN . . . . . . . . . . . . . 52.0 t-20 -110.72 100.5 9.25 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 115.34 -0.845 . . . . 0.0 109.366 179.725 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 111' ' ' LEU . . . . . . . . . . . . . 98.2 mt -91.86 163.96 13.85 Favored 'General case' 0 C--N 1.323 -0.578 0 CA-C-N 116.09 -0.505 . . . . 0.0 110.753 -177.889 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 112' ' ' GLU . . . . . . . . . . . . . 40.3 mt-10 -71.94 169.6 15.53 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 116.09 -0.505 . . . . 0.0 110.502 179.032 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 113' ' ' HIS . . . . . . . . . . . . . 85.8 m-70 -86.64 -65.09 1.05 Allowed 'General case' 0 C--N 1.323 -0.557 0 N-CA-C 109.53 -0.544 . . . . 0.0 109.53 -178.142 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 114' ' ' HIS . . . . . . . . . . . . . 26.3 m170 -93.94 116.07 28.49 Favored 'General case' 0 C--N 1.324 -0.504 0 N-CA-C 108.74 -0.837 . . . . 0.0 108.74 169.966 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 115' ' ' HIS . . . . . . . . . . . . . 56.4 t60 -65.44 -33.62 76.38 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-O 120.997 0.427 . . . . 0.0 110.385 -176.507 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 116' ' ' HIS . . . . . . . . . . . . . 2.4 t-80 -91.73 135.39 33.93 Favored 'General case' 0 C--N 1.321 -0.645 0 N-CA-C 108.688 -0.856 . . . . 0.0 108.688 175.774 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 117' ' ' HIS . . . . . . . . . . . . . 67.8 m80 -92.33 102.03 14.51 Favored 'General case' 0 C--N 1.321 -0.637 0 CA-C-O 121.386 0.612 . . . . 0.0 111.76 -171.978 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 118' ' ' HIS . . . . . . . . . . . . . 64.0 t60 . . . . . 0 C--O 1.247 0.943 0 CA-C-N 115.058 -0.973 . . . . 0.0 109.1 175.226 . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 12.2 p . . . . . 0 N--CA 1.475 0.8 0 CA-C-O 120.6 0.238 . . . . 0.0 111.405 . . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 48.2 m -79.78 -21.79 43.95 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-O 120.796 0.331 . . . . 0.0 111.076 -178.968 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 3' ' ' ASN . . . . . . . . . . . . . 27.1 t30 -98.76 98.53 9.63 Favored 'General case' 0 C--N 1.326 -0.418 0 N-CA-C 109.19 -0.671 . . . . 0.0 109.19 173.814 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 4' ' ' ASN . . . . . . . . . . . . . 32.4 t30 -101.57 126.71 48.43 Favored 'General case' 0 C--N 1.321 -0.647 0 CA-C-N 115.893 -0.594 . . . . 0.0 110.265 -178.25 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 14.1 m120 -91.34 23.08 3.53 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.116 -0.493 . . . . 0.0 111.68 -174.769 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 6' ' ' SER . . . . . 0.575 ' HA ' ' HA ' ' A' ' 46' ' ' GLU . 74.3 m -64.65 149.83 48.24 Favored 'General case' 0 C--O 1.236 0.377 0 CA-C-O 120.849 0.357 . . . . 0.0 110.594 176.454 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 7' ' ' PHE . . . . . . . . . . . . . 31.9 t80 -58.32 -39.77 80.28 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 115.684 -0.689 . . . . 0.0 110.656 -177.702 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 16.9 p -59.85 -41.75 92.12 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.351 -0.386 . . . . 0.0 111.632 179.796 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -61.96 -48.81 78.73 Favored 'General case' 0 C--O 1.236 0.392 0 CA-C-O 120.986 0.422 . . . . 0.0 110.795 -178.854 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 64.8 mt -68.41 -39.23 80.5 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 115.942 -0.572 . . . . 0.0 110.187 178.468 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 7.0 t80 -56.83 -46.57 81.61 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 115.842 -0.617 . . . . 0.0 111.416 177.032 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 81.2 tttt -63.4 -41.8 98.77 Favored 'General case' 0 C--N 1.329 -0.325 0 C-N-CA 120.659 -0.416 . . . . 0.0 110.673 -178.14 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 37.1 tt0 -65.63 -45.17 84.05 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 121.154 0.502 . . . . 0.0 110.147 178.181 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 14' ' ' TRP . . . . . . . . . . . . . 68.8 t90 -58.96 -46.93 86.84 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 115.491 -0.777 . . . . 0.0 110.417 177.092 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 15' ' ' TYR . . . . . 0.439 ' CE1' ' HB2' ' A' ' 31' ' ' ALA . 24.7 t80 -61.13 -49.11 78.58 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.038 -0.528 . . . . 0.0 111.222 177.727 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 38.6 tt0 -61.4 -30.5 70.59 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-O 121.283 0.563 . . . . 0.0 110.484 -178.77 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 17' ' ' HIS . . . . . 0.64 ' O ' ' HG2' ' A' ' 20' ' ' GLN . 72.9 t60 -78.37 -50.97 10.79 Favored 'General case' 0 C--N 1.323 -0.562 0 CA-C-N 115.778 -0.646 . . . . 0.0 110.296 178.312 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 32.6 mmtm -67.67 -14.39 62.91 Favored 'General case' 0 N--CA 1.467 0.376 0 CA-C-N 116.335 -0.393 . . . . 0.0 111.54 179.684 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 80.4 tttt -57.23 -29.06 63.46 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 115.82 -0.627 . . . . 0.0 111.24 179.287 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 20' ' ' GLN . . . . . 0.64 ' HG2' ' O ' ' A' ' 17' ' ' HIS . 13.4 pt20 -87.29 -5.35 58.95 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.381 -0.372 . . . . 0.0 110.988 -177.66 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 71.5 t -93.3 -49.59 12.73 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.401 0 CA-C-O 121.223 0.535 . . . . 0.0 110.295 179.784 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 22' ' ' TRP . . . . . . . . . . . . . 9.3 m0 -88.17 170.63 10.87 Favored 'General case' 0 C--N 1.32 -0.702 0 CA-C-N 115.608 -0.724 . . . . 0.0 110.382 -179.066 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 7.7 m -79.52 146.53 32.61 Favored 'General case' 0 C--N 1.321 -0.66 0 N-CA-C 109.375 -0.602 . . . . 0.0 109.375 175.067 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 14.4 p -52.66 -39.18 29.3 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.463 0 N-CA-C 112.482 0.549 . . . . 0.0 112.482 -173.668 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -64.61 -53.51 34.73 Favored Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.711 -0.756 . . . . 0.0 111.842 179.302 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 26' ' ' TYR . . . . . . . . . . . . . 73.4 t80 -58.83 -42.86 90.25 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.874 0.369 . . . . 0.0 110.693 178.287 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -61.82 -40.96 97.1 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.023 -0.535 . . . . 0.0 111.149 -179.658 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 62.3 m -66.48 -45.58 79.19 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.463 -0.335 . . . . 0.0 111.002 178.985 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 28.6 mm-40 -60.28 -46.98 87.93 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-O 120.845 0.355 . . . . 0.0 111.144 177.584 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 10.2 tt -60.14 -47.46 85.84 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.012 -0.54 . . . . 0.0 110.297 179.399 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 31' ' ' ALA . . . . . 0.439 ' HB2' ' CE1' ' A' ' 15' ' ' TYR . . . -63.83 -42.57 97.6 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 116.037 -0.529 . . . . 0.0 111.301 -179.235 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 17.8 ttpp -66.44 -45.79 78.63 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-O 120.747 0.308 . . . . 0.0 110.352 -178.233 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 33' ' ' MET . . . . . 0.562 ' SD ' ' HD3' ' A' ' 70' ' ' ARG . 50.7 ttp -59.21 -49.75 76.64 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.059 -0.519 . . . . 0.0 110.543 177.323 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 34' ' ' PHE . . . . . 0.628 ' O ' ' HB ' ' A' ' 38' ' ' ILE . 22.2 t80 -61.84 -38.02 86.66 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 115.506 -0.77 . . . . 0.0 110.051 -179.188 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 35' ' ' ASP . . . . . 0.757 ' HA ' HD23 ' A' ' 39' ' ' LEU . 13.2 t70 -65.99 -53.82 34.01 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 115.939 -0.573 . . . . 0.0 110.768 178.931 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 58.5 m-20 -55.92 -36.26 67.52 Favored 'General case' 0 N--CA 1.468 0.441 0 CA-C-N 115.871 -0.604 . . . . 0.0 112.578 -174.333 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 37' ' ' ASP . . . . . 0.425 ' O ' HG12 ' A' ' 41' ' ' ILE . 21.1 m-20 -103.2 -50.95 3.35 Favored 'General case' 0 C--N 1.324 -0.521 0 N-CA-C 112.766 0.654 . . . . 0.0 112.766 -175.841 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 38' ' ' ILE . . . . . 0.628 ' HB ' ' O ' ' A' ' 34' ' ' PHE . 2.0 mp -68.89 -41.26 81.97 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.426 0 N-CA-C 112.021 0.378 . . . . 0.0 112.021 -172.913 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 39' ' ' LEU . . . . . 0.757 HD23 ' HA ' ' A' ' 35' ' ' ASP . 3.1 mm? -60.05 -51.13 82.67 Favored Pre-proline 0 CA--C 1.535 0.371 0 N-CA-C 112.716 0.636 . . . . 0.0 112.716 -174.508 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 33.4 Cg_exo -61.03 -18.77 59.82 Favored 'Trans proline' 0 C--N 1.351 0.661 0 C-N-CA 122.065 1.844 . . . . 0.0 113.187 177.389 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 41' ' ' ILE . . . . . 0.455 HG23 HG21 ' A' ' 42' ' ' ILE . 43.0 mm -97.13 -64.67 1.33 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-O 120.614 0.245 . . . . 0.0 111.396 -176.592 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 42' ' ' ILE . . . . . 0.455 HG21 HG23 ' A' ' 41' ' ' ILE . 10.9 pt -121.46 3.81 6.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 N-CA-C 111.857 0.317 . . . . 0.0 111.857 -175.908 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 43' ' ' GLY . . . . . 0.517 ' HA3' ' HA ' ' A' ' 39' ' ' LEU . . . -56.92 -42.24 92.32 Favored Glycine 0 CA--C 1.512 -0.108 0 C-N-CA 120.847 -0.692 . . . . 0.0 112.673 -175.94 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -88.65 8.92 77.95 Favored Glycine 0 N--CA 1.447 -0.582 0 C-N-CA 120.766 -0.73 . . . . 0.0 112.832 -178.514 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 96.0 mt -95.59 141.36 29.19 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 116.961 0.38 . . . . 0.0 110.149 179.531 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 46' ' ' GLU . . . . . 0.575 ' HA ' ' HA ' ' A' ' 6' ' ' SER . 45.9 mt-10 -71.28 136.75 48.08 Favored 'General case' 0 C--N 1.32 -0.683 0 N-CA-C 109.542 -0.54 . . . . 0.0 109.542 175.778 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 14.6 tt -60.9 -23.06 28.32 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.573 0 CA-C-N 115.966 -0.561 . . . . 0.0 112.148 -170.098 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 68.7 mt-30 -90.77 -5.74 55.27 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.757 -0.201 . . . . 0.0 111.229 178.912 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 21.4 t70 -122.31 6.53 9.64 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-O 120.892 0.377 . . . . 0.0 111.384 -172.76 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 50' ' ' ILE . . . . . 0.472 HG13 ' O ' ' A' ' 46' ' ' GLU . 74.1 mt -71.83 127.11 33.44 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 CA-C-O 121.008 0.432 . . . . 0.0 110.516 179.388 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 1.5 pm0 -84.14 144.76 44.68 Favored Pre-proline 0 C--N 1.32 -0.682 0 CA-C-N 115.769 -0.65 . . . . 0.0 110.989 -178.975 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 52' ' ' PRO . . . . . 0.433 ' HB3' ' HB3' ' A' ' 98' ' ' ASP . 68.5 Cg_exo -51.86 -46.68 30.64 Favored 'Trans proline' 0 C--O 1.233 0.233 0 C-N-CA 123.486 2.79 . . . . 0.0 113.378 -178.96 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 53' ' ' MET . . . . . . . . . . . . . 89.7 mtp -69.25 -21.92 63.87 Favored 'General case' 0 C--N 1.328 -0.364 0 N-CA-C 111.842 0.312 . . . . 0.0 111.842 -174.966 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 7.3 tp60 -82.45 -31.94 29.21 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-O 121.365 0.602 . . . . 0.0 109.68 177.466 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 29.1 tp -69.87 -39.73 76.16 Favored 'General case' 0 C--N 1.324 -0.51 0 N-CA-C 109.27 -0.641 . . . . 0.0 109.27 175.323 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 2.6 tm? -64.56 -29.64 70.66 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 115.763 -0.653 . . . . 0.0 109.414 173.664 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 57' ' ' GLU . . . . . 0.417 ' CD ' HH21 ' A' ' 60' ' ' ARG . 6.0 tp10 -63.19 -34.93 78.7 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.182 177.663 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 58' ' ' VAL . . . . . 0.459 HG12 HG13 ' A' ' 38' ' ' ILE . 76.7 t -61.82 -54.47 34.25 Favored 'Isoleucine or valine' 0 C--O 1.233 0.184 0 CA-C-O 120.962 0.41 . . . . 0.0 110.406 173.481 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 59' ' ' ILE . . . . . . . . . . . . . 1.8 mp -55.32 -44.08 73.92 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.272 0 CA-C-N 115.998 -0.546 . . . . 0.0 110.387 177.906 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 60' ' ' ARG . . . . . 0.417 HH21 ' CD ' ' A' ' 57' ' ' GLU . 24.9 ttp180 -70.77 -23.56 62.42 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 115.712 -0.676 . . . . 0.0 111.142 -178.151 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 15.5 tpt180 -64.74 -40.5 95.42 Favored 'General case' 0 C--N 1.33 -0.259 0 N-CA-C 109.663 -0.495 . . . . 0.0 109.663 175.215 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 62' ' ' PHE . . . . . . . . . . . . . 79.4 m-85 -72.97 -30.03 63.52 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 115.975 -0.557 . . . . 0.0 111.023 176.309 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 34.8 tt0 -64.04 -39.42 94.06 Favored 'General case' 0 C--N 1.331 -0.206 0 N-CA-C 109.897 -0.409 . . . . 0.0 109.897 176.123 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 12.7 t70 -57.28 -37.35 72.25 Favored 'General case' 0 N--CA 1.463 0.19 0 CA-C-N 115.743 -0.662 . . . . 0.0 110.806 176.024 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 91.6 mtt-85 -75.55 -23.1 56.57 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 115.801 -0.636 . . . . 0.0 110.802 179.55 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 90.44 7.88 66.68 Favored Glycine 0 N--CA 1.447 -0.606 0 C-N-CA 120.7 -0.762 . . . . 0.0 111.223 -173.949 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -89.51 88.5 7.47 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-O 120.931 0.396 . . . . 0.0 110.253 -179.183 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 68' ' ' MET . . . . . 0.59 ' HA ' ' HE3' ' A' ' 68' ' ' MET . 0.0 OUTLIER -72.97 -35.12 66.86 Favored 'General case' 0 C--N 1.324 -0.538 0 CA-C-N 116.0 -0.545 . . . . 0.0 110.394 -176.038 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 24.0 tt0 -60.58 -54.5 44.71 Favored 'General case' 0 CA--C 1.519 -0.24 0 CA-C-N 116.028 -0.533 . . . . 0.0 110.014 178.229 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 70' ' ' ARG . . . . . 0.562 ' HD3' ' SD ' ' A' ' 33' ' ' MET . 48.3 mtt-85 -66.92 -25.13 66.22 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 115.474 -0.784 . . . . 0.0 110.968 -176.147 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -65.96 -50.19 65.21 Favored 'General case' 0 C--O 1.235 0.318 0 CA-C-O 121.156 0.503 . . . . 0.0 110.344 175.769 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 72' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -71.75 -27.99 63.36 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-O 121.284 0.564 . . . . 0.0 110.297 179.021 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 75.6 tttt -73.49 -37.95 65.55 Favored 'General case' 0 C--N 1.323 -0.546 0 CA-C-N 115.469 -0.787 . . . . 0.0 110.62 179.613 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -58.69 -51.46 69.85 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.508 -0.315 . . . . 0.0 110.237 175.535 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 70.6 ttt180 -51.06 -50.09 59.36 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 115.946 -0.57 . . . . 0.0 111.271 178.532 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 83.6 mtm180 -73.12 -27.54 61.75 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-N 115.833 -0.621 . . . . 0.0 111.801 -175.54 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 77' ' ' ARG . . . . . 0.606 ' NE ' ' HA ' ' A' ' 77' ' ' ARG . 0.0 OUTLIER -79.06 -35.25 42.84 Favored 'General case' 0 C--N 1.329 -0.291 0 C-N-CA 120.71 -0.396 . . . . 0.0 110.066 179.266 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 78' ' ' CYS . . . . . . . . . . . . . 94.9 m -65.83 -40.18 91.56 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 120.805 0.336 . . . . 0.0 110.184 174.547 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . -60.98 -33.22 83.02 Favored Glycine 0 C--N 1.334 0.421 0 C-N-CA 120.896 -0.669 . . . . 0.0 111.931 174.768 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 80' ' ' GLU . . . . . 0.423 ' HB3' ' O ' ' A' ' 77' ' ' ARG . 28.1 tp10 -65.1 -43.58 91.61 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-O 120.9 0.381 . . . . 0.0 110.254 175.208 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 81' ' ' VAL . . . . . 0.405 HG21 ' O ' ' A' ' 77' ' ' ARG . 62.0 t -64.86 -40.46 89.15 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.251 0 CA-C-N 116.291 -0.413 . . . . 0.0 110.455 177.012 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 82' ' ' PHE . . . . . 0.435 ' O ' HG13 ' A' ' 86' ' ' ILE . 19.1 m-85 -60.1 -43.43 95.59 Favored 'General case' 0 C--N 1.332 -0.154 0 CA-C-N 116.292 -0.413 . . . . 0.0 110.378 176.379 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 31.8 ttt180 -57.37 -49.76 75.13 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 115.949 -0.569 . . . . 0.0 110.307 175.968 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 84' ' ' TYR . . . . . . . . . . . . . 64.4 t80 -56.11 -42.76 77.33 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 115.941 -0.572 . . . . 0.0 110.428 179.072 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -67.62 -35.59 79.23 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 115.819 -0.628 . . . . 0.0 111.839 -178.179 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 86' ' ' ILE . . . . . 0.435 HG13 ' O ' ' A' ' 82' ' ' PHE . 82.2 mt -66.93 -42.59 89.08 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.446 0 CA-C-O 121.061 0.457 . . . . 0.0 110.17 176.982 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 87' ' ' VAL . . . . . . . . . . . . . 64.5 t -68.06 -33.86 63.45 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.37 0 CA-C-N 115.884 -0.598 . . . . 0.0 110.907 179.416 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 88' ' ' THR . . . . . . . . . . . . . 17.0 p -85.2 0.42 51.89 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-O 120.875 0.369 . . . . 0.0 111.467 179.903 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . 69.39 30.86 71.18 Favored Glycine 0 N--CA 1.452 -0.286 0 C-N-CA 121.194 -0.527 . . . . 0.0 112.757 177.227 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 99.2 mtt180 -113.29 -3.38 13.84 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-O 120.568 0.223 . . . . 0.0 111.022 179.624 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . -139.04 130.71 27.4 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-O 120.893 0.378 . . . . 0.0 110.884 176.924 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 63.7 tttp -96.63 -34.73 11.29 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 115.757 -0.656 . . . . 0.0 110.378 179.003 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 93' ' ' TYR . . . . . . . . . . . . . 87.7 t80 -142.71 144.37 32.66 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 115.573 -0.74 . . . . 0.0 109.683 -178.102 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 94' ' ' ASN . . . . . . . . . . . . . 26.2 p-10 -120.52 133.8 24.09 Favored Pre-proline 0 C--N 1.323 -0.55 0 CA-C-O 120.786 0.327 . . . . 0.0 110.459 178.228 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 95' ' ' PRO . . . . . . . . . . . . . 73.3 Cg_endo -76.7 34.28 0.44 Allowed 'Trans proline' 0 CA--C 1.529 0.255 0 C-N-CA 122.999 2.466 . . . . 0.0 113.04 -178.096 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 96' ' ' ALA . . . . . 0.522 ' N ' ' HD2' ' A' ' 97' ' ' PRO . . . -68.12 -48.31 38.14 Favored Pre-proline 0 CA--C 1.537 0.47 0 CA-C-N 116.333 -0.394 . . . . 0.0 111.661 -179.203 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 97' ' ' PRO . . . . . 0.522 ' HD2' ' N ' ' A' ' 96' ' ' ALA . 18.0 Cg_endo -60.62 -35.54 89.29 Favored 'Trans proline' 0 C--N 1.357 1.003 0 C-N-CA 121.82 1.68 . . . . 0.0 111.615 174.514 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 98' ' ' ASP . . . . . 0.433 ' HB3' ' HB3' ' A' ' 52' ' ' PRO . 15.0 m-20 -66.93 -37.96 85.3 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.022 -0.535 . . . . 0.0 110.268 178.987 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 99' ' ' LEU . . . . . 0.451 HD13 ' C ' ' A' ' 99' ' ' LEU . 3.3 tm? -54.76 -49.74 70.15 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 115.421 -0.808 . . . . 0.0 109.956 175.22 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 100' ' ' ALA . . . . . 0.541 ' O ' ' HG3' ' A' ' 104' ' ' LYS . . . -71.7 -24.57 61.83 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-N 115.787 -0.642 . . . . 0.0 110.967 -179.152 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 17.6 t70 -68.35 -50.41 53.4 Favored 'General case' 0 C--N 1.324 -0.531 0 CA-C-N 115.936 -0.575 . . . . 0.0 110.514 -179.724 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -65.51 -35.79 81.91 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-N 115.963 -0.562 . . . . 0.0 110.598 177.592 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 103' ' ' MET . . . . . . . . . . . . . 54.5 ttm -55.22 -39.54 69.78 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.087 -0.506 . . . . 0.0 111.12 177.494 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 104' ' ' LYS . . . . . 0.541 ' HG3' ' O ' ' A' ' 100' ' ' ALA . 43.7 mttp -69.37 -45.58 69.01 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-O 120.848 0.356 . . . . 0.0 110.79 178.596 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 105' ' ' GLY . . . . . 0.463 ' O ' ' HB3' ' A' ' 108' ' ' LYS . . . -67.37 -23.89 73.51 Favored Glycine 0 N--CA 1.455 -0.093 0 C-N-CA 120.918 -0.658 . . . . 0.0 111.963 179.642 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 106' ' ' TYR . . . . . . . . . . . . . 54.1 t80 -69.72 -46.78 65.17 Favored 'General case' 0 C--N 1.323 -0.573 0 CA-C-N 115.459 -0.37 . . . . 0.0 110.384 177.709 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 107' ' ' ARG . . . . . . . . . . . . . 57.6 ttp85 -74.55 -11.65 60.26 Favored 'General case' 0 CA--C 1.533 0.317 0 CA-C-O 121.531 0.681 . . . . 0.0 110.415 179.123 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 108' ' ' LYS . . . . . 0.463 ' HB3' ' O ' ' A' ' 105' ' ' GLY . 81.9 tttt -69.64 -27.03 64.71 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 115.514 -0.766 . . . . 0.0 109.876 174.84 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 109' ' ' LYS . . . . . . . . . . . . . 97.0 mttt -95.23 152.46 18.35 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 115.732 -0.667 . . . . 0.0 110.711 -179.266 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 110' ' ' ASN . . . . . . . . . . . . . 41.8 m-80 -105.75 92.64 4.26 Favored 'General case' 0 C--N 1.321 -0.661 0 CA-C-N 115.993 -0.549 . . . . 0.0 109.901 178.554 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 111' ' ' LEU . . . . . . . . . . . . . 30.1 tp -61.88 127.16 30.09 Favored 'General case' 0 C--N 1.322 -0.602 0 CA-C-N 115.575 -0.739 . . . . 0.0 110.436 -178.884 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 112' ' ' GLU . . . . . . . . . . . . . 40.7 tt0 -55.17 -46.7 75.8 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 115.43 -0.804 . . . . 0.0 111.011 -178.914 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 113' ' ' HIS . . . . . 0.483 ' HB3' ' O ' ' A' ' 115' ' ' HIS . 65.2 m80 -100.78 101.2 11.99 Favored 'General case' 0 C--N 1.323 -0.565 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.149 176.653 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 114' ' ' HIS . . . . . . . . . . . . . 76.8 m80 -64.76 -29.91 70.9 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-O 121.541 0.686 . . . . 0.0 109.603 177.544 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 115' ' ' HIS . . . . . 0.483 ' O ' ' HB3' ' A' ' 113' ' ' HIS . 38.4 m80 -99.84 113.24 25.62 Favored 'General case' 0 C--N 1.322 -0.624 0 N-CA-C 107.357 -1.349 . . . . 0.0 107.357 164.855 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 116' ' ' HIS . . . . . . . . . . . . . 15.4 t-80 -61.51 -13.71 23.35 Favored 'General case' 0 CA--C 1.535 0.377 0 N-CA-C 112.563 0.579 . . . . 0.0 112.563 -169.581 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 117' ' ' HIS . . . . . . . . . . . . . 98.4 m-70 -103.91 -74.75 0.63 Allowed 'General case' 0 C--N 1.324 -0.51 0 N-CA-C 109.677 -0.49 . . . . 0.0 109.677 174.241 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 118' ' ' HIS . . . . . . . . . . . . . 8.1 m80 . . . . . 0 C--O 1.243 0.748 0 CA-C-O 118.358 -0.83 . . . . 0.0 110.195 176.811 . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 29.8 m . . . . . 0 N--CA 1.474 0.729 0 CA-C-O 120.974 0.416 . . . . 0.0 110.583 . . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 22.7 t -84.47 -43.9 14.16 Favored 'General case' 0 C--N 1.325 -0.467 0 N-CA-C 109.019 -0.734 . . . . 0.0 109.019 176.62 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 3' ' ' ASN . . . . . . . . . . . . . 5.8 t30 -79.02 97.26 6.02 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-N 115.192 -0.913 . . . . 0.0 109.693 176.825 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 4' ' ' ASN . . . . . . . . . . . . . 32.5 t-20 -102.73 122.68 44.95 Favored 'General case' 0 C--N 1.323 -0.586 0 N-CA-C 109.858 -0.423 . . . . 0.0 109.858 -178.979 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 29.1 p-10 -105.56 13.0 30.65 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.666 -175.216 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 62.1 p -69.75 154.07 42.49 Favored 'General case' 0 C--O 1.238 0.467 0 N-CA-C 110.011 -0.366 . . . . 0.0 110.011 176.916 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 7' ' ' PHE . . . . . . . . . . . . . 43.5 t80 -60.96 -41.09 95.67 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-N 116.38 -0.373 . . . . 0.0 110.548 -178.363 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 29.0 t -60.48 -39.53 87.97 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.463 -0.335 . . . . 0.0 111.185 179.487 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -66.87 -45.38 78.27 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.937 0.398 . . . . 0.0 111.163 -178.556 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 56.0 mt -73.46 -33.77 40.82 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.436 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.511 -179.806 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 0.4 OUTLIER -60.09 -41.02 91.61 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.232 173.39 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 4.9 tmtp? -63.57 -44.27 94.59 Favored 'General case' 0 C--N 1.326 -0.44 0 N-CA-C 109.915 -0.402 . . . . 0.0 109.915 179.66 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 10.4 tp10 -60.3 -49.56 77.12 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 115.95 -0.568 . . . . 0.0 110.154 176.261 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 14' ' ' TRP . . . . . 0.585 ' HH2' ' HD3' ' A' ' 77' ' ' ARG . 64.6 t90 -56.79 -49.2 76.05 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 115.431 -0.804 . . . . 0.0 110.614 177.121 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 15' ' ' TYR . . . . . 0.431 ' CE1' ' HB2' ' A' ' 31' ' ' ALA . 35.6 t80 -55.74 -50.83 69.32 Favored 'General case' 0 C--O 1.223 -0.297 0 CA-C-N 116.123 -0.49 . . . . 0.0 111.462 -179.827 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 41.1 mt-10 -62.45 -27.79 69.36 Favored 'General case' 0 C--N 1.327 -0.37 0 N-CA-C 111.71 0.263 . . . . 0.0 111.71 -176.994 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 17' ' ' HIS . . . . . . . . . . . . . 75.1 t60 -78.89 -43.91 23.87 Favored 'General case' 0 C--N 1.323 -0.554 0 CA-C-O 120.733 0.301 . . . . 0.0 110.396 178.264 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 18' ' ' LYS . . . . . 0.535 ' HG2' ' O ' ' A' ' 14' ' ' TRP . 24.9 mmmt -71.05 -25.3 62.58 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 121.248 0.547 . . . . 0.0 109.91 178.926 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 89.1 tttt -62.5 -16.68 57.01 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 115.484 -0.78 . . . . 0.0 111.007 -179.614 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 70.8 mm-40 -79.52 -28.59 41.35 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-O 120.725 0.297 . . . . 0.0 110.775 -179.993 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 28.3 m -100.94 -9.23 9.02 Favored 'Isoleucine or valine' 0 C--O 1.236 0.359 0 CA-C-O 120.838 0.352 . . . . 0.0 111.423 -177.612 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 22' ' ' TRP . . . . . . . . . . . . . 52.7 m0 -102.74 160.0 14.98 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-O 120.846 0.355 . . . . 0.0 110.25 177.808 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 5.8 p -77.32 133.71 38.7 Favored 'General case' 0 C--N 1.323 -0.567 0 N-CA-C 108.645 -0.872 . . . . 0.0 108.645 170.921 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 43.0 t -56.32 -38.52 55.59 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.421 0 N-CA-C 112.147 0.425 . . . . 0.0 112.147 -171.688 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -58.24 -51.92 55.68 Favored Glycine 0 N--CA 1.451 -0.358 0 C-N-CA 120.712 -0.756 . . . . 0.0 111.76 177.146 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 26' ' ' TYR . . . . . . . . . . . . . 82.0 t80 -66.85 -40.63 87.99 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-O 120.673 0.273 . . . . 0.0 110.868 178.377 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -57.9 -39.26 77.48 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.004 -179.077 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 8.5 m -72.34 -37.07 68.94 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-N 116.453 -0.34 . . . . 0.0 110.827 -179.832 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 72.7 mm-40 -63.64 -45.71 89.0 Favored 'General case' 0 C--O 1.234 0.259 0 CA-C-O 120.952 0.406 . . . . 0.0 110.065 176.848 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 9.4 tt -64.0 -47.48 80.13 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 115.806 -0.634 . . . . 0.0 110.049 178.87 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 31' ' ' ALA . . . . . 0.431 ' HB2' ' CE1' ' A' ' 15' ' ' TYR . . . -58.37 -44.3 88.82 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 115.859 -0.609 . . . . 0.0 111.253 -178.485 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 86.0 tttt -67.11 -41.33 86.43 Favored 'General case' 0 C--O 1.221 -0.413 0 C-N-CA 120.165 -0.614 . . . . 0.0 111.009 -178.247 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 33' ' ' MET . . . . . . . . . . . . . 24.3 ttp -60.03 -46.84 88.17 Favored 'General case' 0 N--CA 1.465 0.29 0 CA-C-O 121.238 0.542 . . . . 0.0 109.684 177.759 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 34' ' ' PHE . . . . . 0.453 ' CD2' HG13 ' A' ' 38' ' ' ILE . 26.7 t80 -57.96 -60.04 4.34 Favored 'General case' 0 C--O 1.219 -0.514 0 CA-C-N 115.097 -0.956 . . . . 0.0 109.236 177.456 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 35' ' ' ASP . . . . . 0.611 ' HA ' HD21 ' A' ' 39' ' ' LEU . 13.9 t70 -54.19 -46.66 72.47 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-N 116.003 -0.544 . . . . 0.0 111.831 -178.693 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 27.3 t70 -63.45 -31.72 72.96 Favored 'General case' 0 C--N 1.327 -0.38 0 N-CA-C 112.382 0.512 . . . . 0.0 112.382 -173.676 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 5.1 m-20 -99.4 -39.92 8.14 Favored 'General case' 0 C--N 1.328 -0.346 0 N-CA-C 111.83 0.307 . . . . 0.0 111.83 179.213 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 38' ' ' ILE . . . . . 0.453 HG13 ' CD2' ' A' ' 34' ' ' PHE . 25.8 mm -67.04 -44.99 87.91 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 CA-C-N 116.347 -0.388 . . . . 0.0 111.784 -177.086 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 39' ' ' LEU . . . . . 0.611 HD21 ' HA ' ' A' ' 35' ' ' ASP . 2.6 mm? -60.92 -51.9 76.11 Favored Pre-proline 0 C--N 1.326 -0.422 0 N-CA-C 113.421 0.897 . . . . 0.0 113.421 -171.703 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 40' ' ' PRO . . . . . 0.405 ' HD2' ' N ' ' A' ' 39' ' ' LEU . 44.4 Cg_endo -68.42 -3.6 11.3 Favored 'Trans proline' 0 C--N 1.35 0.657 0 C-N-CA 121.909 1.739 . . . . 0.0 113.184 -179.623 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 41' ' ' ILE . . . . . 0.597 HG21 HG21 ' A' ' 42' ' ' ILE . 36.3 mm -110.63 -56.11 4.6 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.376 0 CA-C-O 120.507 0.194 . . . . 0.0 111.369 179.76 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 42' ' ' ILE . . . . . 0.597 HG21 HG21 ' A' ' 41' ' ' ILE . 6.0 pt -136.2 4.17 0.92 Allowed 'Isoleucine or valine' 0 N--CA 1.467 0.404 0 N-CA-C 112.842 0.682 . . . . 0.0 112.842 -173.864 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 43' ' ' GLY . . . . . 0.59 ' HA3' ' HA ' ' A' ' 39' ' ' LEU . . . -59.65 -40.55 96.61 Favored Glycine 0 CA--C 1.51 -0.271 0 C-N-CA 120.507 -0.854 . . . . 0.0 113.262 -173.257 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -91.5 12.08 70.32 Favored Glycine 0 N--CA 1.441 -1.009 0 C-N-CA 120.645 -0.788 . . . . 0.0 112.338 -177.867 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 81.2 mt -96.76 152.49 18.62 Favored 'General case' 0 N--CA 1.449 -0.478 0 CA-C-N 116.886 0.343 . . . . 0.0 110.153 179.804 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 46' ' ' GLU . . . . . 0.545 ' O ' HG13 ' A' ' 50' ' ' ILE . 43.4 mt-10 -68.59 137.25 54.12 Favored 'General case' 0 C--N 1.324 -0.534 0 N-CA-C 108.766 -0.827 . . . . 0.0 108.766 174.597 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 47' ' ' ILE . . . . . 0.462 HD11 ' HA ' ' A' ' 82' ' ' PHE . 19.0 tt -61.96 -21.36 26.0 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.584 0 CA-C-O 121.424 0.63 . . . . 0.0 110.796 -177.313 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 42.8 mt-30 -86.71 -20.7 27.33 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 115.654 -0.703 . . . . 0.0 110.871 178.427 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 20.9 t70 -113.41 22.11 14.52 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-O 121.254 0.549 . . . . 0.0 111.092 -166.38 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 50' ' ' ILE . . . . . 0.545 HG13 ' O ' ' A' ' 46' ' ' GLU . 83.6 mt -88.94 128.31 41.14 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.045 179.778 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 51' ' ' GLU . . . . . 0.962 ' HB2' ' HB2' ' A' ' 54' ' ' GLN . 57.3 mm-40 -67.52 145.05 98.18 Favored Pre-proline 0 C--N 1.327 -0.398 0 CA-C-N 115.526 -0.761 . . . . 0.0 110.681 179.576 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 52' ' ' PRO . . . . . . . . . . . . . 44.9 Cg_exo -57.04 -45.14 37.97 Favored 'Trans proline' 0 C--N 1.342 0.23 0 C-N-CA 122.545 2.163 . . . . 0.0 112.114 176.738 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 53' ' ' MET . . . . . 0.412 ' HA ' ' HB3' ' A' ' 56' ' ' LEU . 85.1 mtp -78.32 -8.29 58.24 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 120.966 0.413 . . . . 0.0 110.699 179.459 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 54' ' ' GLN . . . . . 0.962 ' HB2' ' HB2' ' A' ' 51' ' ' GLU . 31.3 tp60 -81.46 -41.46 21.76 Favored 'General case' 0 C--N 1.324 -0.512 0 N-CA-C 108.818 -0.808 . . . . 0.0 108.818 176.868 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 28.8 tp -65.57 -37.42 86.62 Favored 'General case' 0 C--N 1.324 -0.531 0 CA-C-N 115.423 -0.808 . . . . 0.0 109.034 172.725 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 56' ' ' LEU . . . . . 0.512 HD23 ' O ' ' A' ' 56' ' ' LEU . 1.9 tm? -63.42 -34.73 78.38 Favored 'General case' 0 C--O 1.221 -0.44 0 CA-C-N 115.608 -0.724 . . . . 0.0 109.911 173.344 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 57' ' ' GLU . . . . . 0.468 ' HG3' ' NH2' ' A' ' 60' ' ' ARG . 28.4 tt0 -59.88 -36.35 76.74 Favored 'General case' 0 C--N 1.325 -0.465 0 N-CA-C 110.404 -0.221 . . . . 0.0 110.404 179.783 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 58' ' ' VAL . . . . . 0.496 ' O ' ' HB3' ' A' ' 61' ' ' ARG . 90.4 t -62.31 -57.98 9.63 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.381 0 CA-C-O 121.12 0.486 . . . . 0.0 110.995 173.639 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 59' ' ' ILE . . . . . 0.515 HG22 ' HE2' ' A' ' 103' ' ' MET . 1.7 mp -58.24 -44.2 87.46 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.42 0 CA-C-N 116.043 -0.526 . . . . 0.0 110.716 -179.178 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 60' ' ' ARG . . . . . 0.468 ' NH2' ' HG3' ' A' ' 57' ' ' GLU . 34.0 ttp180 -62.03 -32.83 73.37 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 115.816 -0.629 . . . . 0.0 110.453 178.15 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 61' ' ' ARG . . . . . 0.496 ' HB3' ' O ' ' A' ' 58' ' ' VAL . 19.8 tpt85 -61.81 -35.56 78.57 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 115.82 -0.627 . . . . 0.0 110.235 176.991 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 62' ' ' PHE . . . . . . . . . . . . . 71.7 m-85 -75.34 -42.91 53.2 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.589 175.415 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 42.7 mt-10 -61.32 -29.41 69.86 Favored 'General case' 0 N--CA 1.465 0.288 0 CA-C-O 121.044 0.449 . . . . 0.0 111.026 179.317 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 35.9 t70 -61.6 -26.69 68.14 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-N 115.617 -0.72 . . . . 0.0 110.776 178.147 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 65' ' ' ARG . . . . . 0.408 ' NH1' ' HG3' ' A' ' 61' ' ' ARG . 2.6 mpp_? -102.99 -0.07 31.43 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.865 177.28 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 81.57 13.12 80.77 Favored Glycine 0 N--CA 1.447 -0.587 0 C-N-CA 120.458 -0.877 . . . . 0.0 111.779 179.548 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 67' ' ' ALA . . . . . 0.454 ' HB2' ' HB2' ' A' ' 70' ' ' ARG . . . -83.4 73.81 10.13 Favored 'General case' 0 C--N 1.321 -0.631 0 N-CA-C 109.738 -0.467 . . . . 0.0 109.738 178.223 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 68' ' ' MET . . . . . . . . . . . . . 38.7 mmm -71.72 -40.07 69.69 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-N 115.876 -0.602 . . . . 0.0 110.623 -173.093 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 19.6 mm-40 -69.83 -35.66 74.96 Favored 'General case' 0 C--N 1.323 -0.58 0 CA-C-N 115.85 -0.614 . . . . 0.0 110.019 179.498 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 70' ' ' ARG . . . . . 0.454 ' HB2' ' HB2' ' A' ' 67' ' ' ALA . 70.2 mtt180 -69.97 -34.24 73.13 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.253 176.887 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 71' ' ' ALA . . . . . 0.5 ' HB3' HG23 ' A' ' 59' ' ' ILE . . . -62.34 -49.36 75.9 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-O 120.97 0.414 . . . . 0.0 110.147 175.803 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 72' ' ' ASN . . . . . . . . . . . . . 29.5 m-80 -61.1 -36.99 81.15 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 115.814 -0.63 . . . . 0.0 110.828 175.398 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 85.0 tttt -63.71 -50.96 67.12 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 115.826 -0.625 . . . . 0.0 110.117 178.408 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -55.1 -49.76 70.9 Favored 'General case' 0 CA--C 1.52 -0.201 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.423 177.478 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 75.2 ttt180 -51.26 -46.6 62.44 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 115.114 -0.948 . . . . 0.0 111.776 179.51 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 45.1 ttm-85 -74.17 -44.03 55.06 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.545 -0.298 . . . . 0.0 111.399 -177.382 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 77' ' ' ARG . . . . . 0.585 ' HD3' ' HH2' ' A' ' 14' ' ' TRP . 2.2 mmp_? -60.26 -42.38 95.21 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.546 -0.297 . . . . 0.0 110.353 -179.869 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 78' ' ' CYS . . . . . . . . . . . . . 85.2 m -64.41 -39.12 93.23 Favored 'General case' 0 CA--C 1.523 -0.082 0 CA-C-N 116.427 -0.352 . . . . 0.0 110.465 177.843 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . -55.03 -36.93 61.71 Favored Glycine 0 C--N 1.333 0.38 0 C-N-CA 121.255 -0.498 . . . . 0.0 112.382 177.695 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 47.3 mt-10 -71.4 -36.29 71.31 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-O 120.501 0.191 . . . . 0.0 111.291 177.408 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 56.6 t -61.31 -46.74 96.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-O 121.062 0.458 . . . . 0.0 109.777 175.322 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 82' ' ' PHE . . . . . 0.472 ' O ' HG13 ' A' ' 86' ' ' ILE . 67.2 m-85 -61.75 -41.22 97.39 Favored 'General case' 0 C--N 1.333 -0.14 0 CA-C-N 115.785 -0.643 . . . . 0.0 110.123 174.794 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 83' ' ' ARG . . . . . 0.461 ' O ' HG23 ' A' ' 87' ' ' VAL . 40.0 ttm180 -58.22 -46.72 85.38 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 115.746 -0.661 . . . . 0.0 111.122 -179.903 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 84' ' ' TYR . . . . . . . . . . . . . 68.2 t80 -60.43 -41.57 94.26 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-O 120.808 0.337 . . . . 0.0 110.114 178.416 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 85' ' ' ALA . . . . . 0.435 ' HA ' HG21 ' A' ' 88' ' ' THR . . . -63.53 -32.55 74.04 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 115.943 -0.571 . . . . 0.0 111.066 178.82 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 86' ' ' ILE . . . . . 0.472 HG13 ' O ' ' A' ' 82' ' ' PHE . 75.2 mt -71.28 -44.25 73.23 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.4 0 CA-C-O 120.704 0.288 . . . . 0.0 110.237 176.296 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 87' ' ' VAL . . . . . 0.461 HG23 ' O ' ' A' ' 83' ' ' ARG . 92.5 t -60.73 -41.19 87.44 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.237 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.036 179.407 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 88' ' ' THR . . . . . 0.514 HG23 ' HG3' ' A' ' 90' ' ' ARG . 15.2 t -81.99 5.87 17.87 Favored 'General case' 0 CA--C 1.537 0.477 0 CA-C-O 121.007 0.432 . . . . 0.0 110.908 179.981 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . 67.66 30.45 74.75 Favored Glycine 0 C--N 1.329 0.18 0 C-N-CA 121.296 -0.478 . . . . 0.0 113.461 173.53 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 90' ' ' ARG . . . . . 0.514 ' HG3' HG23 ' A' ' 88' ' ' THR . 99.6 mtt180 -99.82 -41.2 7.35 Favored 'General case' 0 C--N 1.322 -0.601 0 CA-C-O 121.035 0.445 . . . . 0.0 110.25 176.785 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . -104.33 136.56 43.69 Favored 'General case' 0 C--N 1.32 -0.688 0 CA-C-N 115.822 -0.626 . . . . 0.0 110.278 179.028 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 62.4 tttp -101.42 -30.21 11.57 Favored 'General case' 0 C--N 1.32 -0.709 0 CA-C-O 121.333 0.587 . . . . 0.0 109.809 179.846 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 93' ' ' TYR . . . . . . . . . . . . . 93.0 t80 -146.88 135.55 22.11 Favored 'General case' 0 C--N 1.321 -0.664 0 CA-C-N 115.416 -0.811 . . . . 0.0 110.276 -177.05 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 94' ' ' ASN . . . . . . . . . . . . . 26.2 p-10 -112.37 133.78 21.7 Favored Pre-proline 0 C--N 1.32 -0.704 0 CA-C-N 115.961 -0.563 . . . . 0.0 109.798 176.503 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 95' ' ' PRO . . . . . . . . . . . . . 73.8 Cg_endo -76.99 36.9 0.55 Allowed 'Trans proline' 0 CA--C 1.532 0.379 0 C-N-CA 122.705 2.27 . . . . 0.0 112.905 -177.304 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 96' ' ' ALA . . . . . 0.515 ' N ' ' HD2' ' A' ' 97' ' ' PRO . . . -70.45 -46.53 19.19 Favored Pre-proline 0 CA--C 1.537 0.471 0 CA-C-N 116.324 -0.398 . . . . 0.0 111.816 179.754 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 97' ' ' PRO . . . . . 0.515 ' HD2' ' N ' ' A' ' 96' ' ' ALA . 20.5 Cg_endo -63.06 -34.2 70.78 Favored 'Trans proline' 0 C--N 1.355 0.92 0 C-N-CA 121.686 1.591 . . . . 0.0 111.723 174.499 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 3.8 m-20 -66.04 -44.31 85.01 Favored 'General case' 0 CA--C 1.518 -0.265 0 CA-C-N 115.818 -0.628 . . . . 0.0 109.547 176.736 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 99' ' ' LEU . . . . . 0.428 ' HB3' ' O ' ' A' ' 96' ' ' ALA . 1.7 tm? -51.67 -46.44 63.79 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 114.978 -1.01 . . . . 0.0 110.313 174.528 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 100' ' ' ALA . . . . . 0.528 ' O ' ' HG3' ' A' ' 104' ' ' LYS . . . -60.96 -52.18 66.1 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.416 -179.339 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 13.3 t70 -66.36 -42.12 88.49 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.066 -174.966 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -61.52 -44.95 96.13 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 115.995 -0.548 . . . . 0.0 110.656 178.232 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 103' ' ' MET . . . . . 0.515 ' HE2' HG22 ' A' ' 59' ' ' ILE . 29.5 ttm -55.39 -35.51 65.39 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 115.986 -0.552 . . . . 0.0 110.954 177.798 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 104' ' ' LYS . . . . . 0.528 ' HG3' ' O ' ' A' ' 100' ' ' ALA . 94.0 mttt -68.58 -61.34 1.87 Allowed 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 115.926 -0.579 . . . . 0.0 111.071 -179.939 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 105' ' ' GLY . . . . . . . . . . . . . . . -75.2 -22.62 75.91 Favored Glycine 0 CA--C 1.52 0.355 0 CA-C-N 115.8 -0.637 . . . . 0.0 113.956 -171.207 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 106' ' ' TYR . . . . . . . . . . . . . 84.5 t80 -62.91 -14.65 49.43 Favored 'General case' 0 N--CA 1.467 0.375 0 CA-C-N 117.024 0.412 . . . . 0.0 111.793 -177.071 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 107' ' ' ARG . . . . . . . . . . . . . 78.7 mtm180 -84.15 -2.74 57.37 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 116.55 -0.295 . . . . 0.0 111.349 -177.439 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 108' ' ' LYS . . . . . 0.453 ' HG2' ' O ' ' A' ' 108' ' ' LYS . 61.8 tttp 61.08 36.15 18.47 Favored 'General case' 0 CA--C 1.535 0.394 0 CA-C-O 121.749 0.785 . . . . 0.0 111.292 177.903 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 109' ' ' LYS . . . . . . . . . . . . . 98.4 mttt -118.29 14.29 13.83 Favored 'General case' 0 C--N 1.32 -0.689 0 N-CA-C 109.068 -0.715 . . . . 0.0 109.068 173.345 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 110' ' ' ASN . . . . . . . . . . . . . 7.3 t30 -153.85 120.21 5.47 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-N 115.013 -0.994 . . . . 0.0 109.618 -179.178 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 111' ' ' LEU . . . . . . . . . . . . . 48.1 tp -105.11 146.88 28.55 Favored 'General case' 0 C--N 1.322 -0.595 0 CA-C-O 120.7 0.286 . . . . 0.0 110.508 -178.174 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 112' ' ' GLU . . . . . 0.478 ' HB2' ' CE1' ' A' ' 115' ' ' HIS . 42.2 mt-10 -64.63 129.61 40.46 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.432 177.259 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 113' ' ' HIS . . . . . . . . . . . . . 55.0 m80 -97.39 -17.22 19.84 Favored 'General case' 0 C--N 1.322 -0.599 0 CA-C-O 121.291 0.567 . . . . 0.0 109.545 177.344 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 114' ' ' HIS . . . . . . . . . . . . . 16.8 m80 -133.81 113.12 11.92 Favored 'General case' 0 C--N 1.324 -0.528 0 CA-C-N 115.287 -0.869 . . . . 0.0 109.377 172.652 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 115' ' ' HIS . . . . . 0.478 ' CE1' ' HB2' ' A' ' 112' ' ' GLU . 85.8 m-70 -96.57 131.81 42.83 Favored 'General case' 0 C--N 1.32 -0.687 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.797 -178.822 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 116' ' ' HIS . . . . . . . . . . . . . 26.2 m170 -98.55 -68.28 0.81 Allowed 'General case' 0 C--N 1.322 -0.613 0 N-CA-C 108.498 -0.927 . . . . 0.0 108.498 172.598 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 117' ' ' HIS . . . . . . . . . . . . . 16.0 p-80 171.87 -30.38 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 114.329 -1.305 . . . . 0.0 108.053 175.151 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 118' ' ' HIS . . . . . . . . . . . . . 1.9 p-80 . . . . . 0 C--O 1.246 0.882 0 N-CA-C 107.602 -1.258 . . . . 0.0 107.602 167.457 . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' 1' ' ' SER . . . . . 0.673 ' HA ' ' OE1' ' A' ' 46' ' ' GLU . 21.0 t . . . . . 0 N--CA 1.477 0.887 0 N-CA-C 109.791 -0.448 . . . . 0.0 109.791 . . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 42.1 m -150.47 161.72 41.98 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-O 120.782 0.325 . . . . 0.0 110.684 -174.418 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 3' ' ' ASN . . . . . . . . . . . . . 16.2 m120 -66.08 -30.72 71.28 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.332 178.384 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 4' ' ' ASN . . . . . . . . . . . . . 65.1 t30 -76.87 -1.32 27.81 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-O 121.306 0.574 . . . . 0.0 110.711 179.644 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 3.7 m-20 -101.44 1.08 37.89 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.041 -0.527 . . . . 0.0 110.687 178.984 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 6' ' ' SER . . . . . 0.563 ' HA ' ' HA ' ' A' ' 46' ' ' GLU . 91.2 p -76.77 155.52 33.08 Favored 'General case' 0 C--O 1.237 0.406 0 N-CA-C 109.868 -0.419 . . . . 0.0 109.868 179.926 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 7' ' ' PHE . . . . . 0.506 ' HB2' HD11 ' A' ' 50' ' ' ILE . 33.1 t80 -61.56 -38.74 88.6 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.046 -179.779 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 33.1 p -58.13 -45.33 87.51 Favored 'General case' 0 C--O 1.236 0.366 0 CA-C-N 116.31 -0.405 . . . . 0.0 111.409 178.375 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -64.81 -51.63 61.12 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.002 -0.544 . . . . 0.0 111.094 -177.58 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 54.4 mt -68.34 -33.51 60.84 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 CA-C-N 115.953 -0.567 . . . . 0.0 110.84 -178.222 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 11' ' ' TYR . . . . . 0.527 ' OH ' ' HA ' ' A' ' 31' ' ' ALA . 89.6 t80 -62.51 -48.83 77.83 Favored 'General case' 0 C--O 1.22 -0.449 0 CA-C-N 116.508 -0.315 . . . . 0.0 110.992 179.142 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 62.3 tttm -64.44 -37.25 86.89 Favored 'General case' 0 C--N 1.332 -0.178 0 C-N-CA 120.554 -0.458 . . . . 0.0 110.548 -178.855 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 37.4 tt0 -59.62 -50.08 75.25 Favored 'General case' 0 C--N 1.323 -0.556 0 CA-C-O 121.627 0.727 . . . . 0.0 109.903 177.593 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 14' ' ' TRP . . . . . . . . . . . . . 68.0 t90 -65.13 -42.37 93.95 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-N 114.97 -1.014 . . . . 0.0 110.897 176.565 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 15' ' ' TYR . . . . . 0.413 ' CE1' ' HB1' ' A' ' 31' ' ' ALA . 45.1 t80 -60.4 -49.05 79.13 Favored 'General case' 0 C--O 1.223 -0.302 0 CA-C-N 116.027 -0.533 . . . . 0.0 111.468 179.473 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 2.4 tp10 -60.1 -39.24 85.5 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-O 121.068 0.461 . . . . 0.0 110.282 -177.259 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 17' ' ' HIS . . . . . . . . . . . . . 57.7 t60 -68.45 -47.72 66.43 Favored 'General case' 0 CA--C 1.535 0.396 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.438 177.084 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 29.7 mmtm -68.52 -14.96 63.36 Favored 'General case' 0 N--CA 1.466 0.326 0 CA-C-N 116.355 -0.384 . . . . 0.0 111.601 179.457 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 87.3 tttt -64.42 -21.36 66.62 Favored 'General case' 0 C--N 1.323 -0.569 0 CA-C-N 115.857 -0.611 . . . . 0.0 110.842 -179.027 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 72.8 mt-30 -92.49 -3.14 55.62 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 116.295 -0.411 . . . . 0.0 110.436 178.55 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 47.6 t -97.14 -47.98 12.53 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 CA-C-N 116.081 -0.509 . . . . 0.0 110.373 -178.351 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 22' ' ' TRP . . . . . . . . . . . . . 5.9 m0 -93.46 178.01 5.84 Favored 'General case' 0 C--N 1.323 -0.568 0 CA-C-N 115.968 -0.56 . . . . 0.0 110.079 179.418 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 24.2 p -81.61 142.95 32.31 Favored 'General case' 0 C--N 1.325 -0.482 0 N-CA-C 109.383 -0.599 . . . . 0.0 109.383 174.698 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 14.6 p -58.17 -34.35 49.32 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.293 0 N-CA-C 111.722 0.267 . . . . 0.0 111.722 -175.904 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -63.44 -50.32 63.2 Favored Glycine 0 N--CA 1.448 -0.532 0 C-N-CA 120.597 -0.811 . . . . 0.0 111.882 178.207 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 26' ' ' TYR . . . . . . . . . . . . . 83.0 t80 -70.0 -38.88 76.08 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-O 120.624 0.25 . . . . 0.0 110.502 -179.993 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -61.68 -39.67 92.23 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.274 -0.421 . . . . 0.0 111.091 -179.833 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 87.7 m -65.8 -42.82 90.24 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 116.657 -0.247 . . . . 0.0 110.603 178.581 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 50.5 mt-10 -64.98 -44.67 88.55 Favored 'General case' 0 C--N 1.332 -0.168 0 CA-C-O 120.802 0.334 . . . . 0.0 110.496 176.588 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 30' ' ' LEU . . . . . 0.671 HD13 ' HE ' ' A' ' 77' ' ' ARG . 9.9 tt -56.59 -48.55 77.17 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 115.674 -0.694 . . . . 0.0 109.999 177.742 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 31' ' ' ALA . . . . . 0.527 ' HA ' ' OH ' ' A' ' 11' ' ' TYR . . . -65.69 -37.34 86.18 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 116.002 -0.545 . . . . 0.0 110.989 179.399 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 66.5 tttm -66.64 -35.71 80.82 Favored 'General case' 0 CA--C 1.521 -0.159 0 CA-C-O 120.789 0.328 . . . . 0.0 110.473 179.754 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 33' ' ' MET . . . . . . . . . . . . . 54.7 ttp -59.93 -39.36 85.24 Favored 'General case' 0 C--N 1.325 -0.493 0 N-CA-C 109.532 -0.544 . . . . 0.0 109.532 176.802 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 34' ' ' PHE . . . . . 0.616 ' O ' ' HB ' ' A' ' 38' ' ' ILE . 28.6 m-85 -75.34 -39.41 59.4 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 115.807 -0.633 . . . . 0.0 111.14 175.895 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 35' ' ' ASP . . . . . 0.689 ' O ' ' HB2' ' A' ' 39' ' ' LEU . 44.6 m-20 -54.86 -57.22 12.49 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-O 121.095 0.474 . . . . 0.0 110.339 175.945 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 11.7 t70 -70.98 -38.65 72.75 Favored 'General case' 0 C--N 1.321 -0.653 0 CA-C-N 115.439 -0.8 . . . . 0.0 112.687 -169.126 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 44.0 m-20 -108.62 -19.93 13.26 Favored 'General case' 0 C--N 1.329 -0.32 0 N-CA-C 113.13 0.789 . . . . 0.0 113.13 -173.793 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 38' ' ' ILE . . . . . 0.616 ' HB ' ' O ' ' A' ' 34' ' ' PHE . 1.3 mp -96.41 -42.18 11.94 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.42 0 O-C-N 121.895 -0.503 . . . . 0.0 111.468 179.126 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 39' ' ' LEU . . . . . 0.689 ' HB2' ' O ' ' A' ' 35' ' ' ASP . 3.3 mm? -63.12 -46.6 86.35 Favored Pre-proline 0 CA--C 1.54 0.571 0 N-CA-C 113.105 0.78 . . . . 0.0 113.105 -173.843 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 40' ' ' PRO . . . . . 0.449 ' HD3' ' O ' ' A' ' 35' ' ' ASP . 17.8 Cg_exo -69.01 -7.49 20.99 Favored 'Trans proline' 0 C--N 1.354 0.857 0 C-N-CA 121.931 1.754 . . . . 0.0 112.529 177.959 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 41' ' ' ILE . . . . . 0.622 HG22 HG23 ' A' ' 42' ' ' ILE . 48.2 mm -102.34 -63.03 1.85 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.389 0 CA-C-N 116.49 -0.323 . . . . 0.0 110.66 179.606 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 42' ' ' ILE . . . . . 0.622 HG23 HG22 ' A' ' 41' ' ' ILE . 12.2 pt -127.58 13.05 3.34 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 N-CA-C 111.829 0.307 . . . . 0.0 111.829 -176.089 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 43' ' ' GLY . . . . . 0.459 ' HA3' HD12 ' A' ' 39' ' ' LEU . . . -54.64 -50.04 59.0 Favored Glycine 0 N--CA 1.452 -0.284 0 C-N-CA 121.27 -0.49 . . . . 0.0 113.558 -172.642 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -94.21 15.7 62.63 Favored Glycine 0 N--CA 1.449 -0.488 0 C-N-CA 120.608 -0.806 . . . . 0.0 112.81 -176.554 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 45' ' ' LEU . . . . . 0.402 HD12 HG21 ' A' ' 42' ' ' ILE . 93.7 mt -93.43 146.4 23.79 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 117.1 0.45 . . . . 0.0 110.191 179.731 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 46' ' ' GLU . . . . . 0.673 ' OE1' ' HA ' ' A' ' 1' ' ' SER . 35.2 mt-10 -68.35 136.46 53.41 Favored 'General case' 0 C--N 1.325 -0.481 0 N-CA-C 108.881 -0.785 . . . . 0.0 108.881 175.699 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 47' ' ' ILE . . . . . 0.422 HD11 ' HB3' ' A' ' 85' ' ' ALA . 15.1 tt -60.3 -23.22 27.18 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.701 0 CA-C-O 120.885 0.374 . . . . 0.0 111.696 -174.373 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 53.0 tt0 -94.96 -6.57 42.12 Favored 'General case' 0 CA--C 1.535 0.379 0 CA-C-O 121.24 0.543 . . . . 0.0 110.568 178.571 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 24.7 t70 -107.61 -11.68 15.4 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-O 121.18 0.514 . . . . 0.0 110.513 -177.515 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 50' ' ' ILE . . . . . 0.621 HG13 ' O ' ' A' ' 46' ' ' GLU . 85.9 mt -60.05 128.6 21.33 Favored 'Isoleucine or valine' 0 C--O 1.233 0.232 0 CA-C-N 115.588 -0.733 . . . . 0.0 111.432 -178.34 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 51' ' ' GLU . . . . . 0.412 ' HB2' ' CB ' ' A' ' 54' ' ' GLN . 4.0 mm-40 -72.24 130.03 86.79 Favored Pre-proline 0 C--N 1.323 -0.584 0 CA-C-N 115.265 -0.88 . . . . 0.0 109.97 178.969 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 52' ' ' PRO . . . . . . . . . . . . . 17.9 Cg_endo -60.17 -34.88 93.87 Favored 'Trans proline' 0 C--N 1.341 0.159 0 C-N-CA 122.475 2.117 . . . . 0.0 111.684 178.723 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 53' ' ' MET . . . . . . . . . . . . . 63.4 mtt -75.32 -22.66 57.49 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 115.814 -0.63 . . . . 0.0 110.37 179.39 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 54' ' ' GLN . . . . . 0.524 ' O ' ' HB3' ' A' ' 57' ' ' GLU . 39.9 tt0 -87.31 -25.07 24.09 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-O 121.248 0.546 . . . . 0.0 109.663 178.858 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 38.2 tp -66.35 -30.68 71.13 Favored 'General case' 0 C--N 1.324 -0.522 0 N-CA-C 108.4 -0.963 . . . . 0.0 108.4 169.256 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 3.0 tm? -68.92 -35.35 76.73 Favored 'General case' 0 C--O 1.224 -0.242 0 CA-C-N 115.416 -0.811 . . . . 0.0 109.414 173.022 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 57' ' ' GLU . . . . . 0.524 ' HB3' ' O ' ' A' ' 54' ' ' GLN . 8.7 tp10 -56.02 -35.63 67.05 Favored 'General case' 0 CA--C 1.535 0.383 0 CA-C-O 120.788 0.327 . . . . 0.0 110.196 175.206 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 58' ' ' VAL . . . . . 0.624 ' O ' ' HB3' ' A' ' 61' ' ' ARG . 72.1 t -64.26 -56.84 14.2 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.272 0 CA-C-O 121.394 0.616 . . . . 0.0 111.01 174.521 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 59' ' ' ILE . . . . . 0.526 HG22 ' HB1' ' A' ' 71' ' ' ALA . 1.7 mp -60.07 -39.86 81.62 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.652 0 CA-C-N 115.834 -0.621 . . . . 0.0 110.725 -179.022 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 51.5 ttp85 -73.22 -20.36 60.88 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-N 115.86 -0.609 . . . . 0.0 110.547 -179.796 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 61' ' ' ARG . . . . . 0.624 ' HB3' ' O ' ' A' ' 58' ' ' VAL . 24.3 tpt180 -62.95 -45.04 94.34 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 115.92 -0.582 . . . . 0.0 109.489 172.238 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 62' ' ' PHE . . . . . . . . . . . . . 98.6 m-85 -70.78 -31.9 68.84 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 115.747 -0.66 . . . . 0.0 110.639 175.565 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 36.1 tt0 -56.86 -40.05 75.43 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 115.803 -0.635 . . . . 0.0 111.056 178.819 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 22.5 t70 -56.5 -38.02 71.21 Favored 'General case' 0 N--CA 1.464 0.235 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.124 -179.937 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 67.2 mtm-85 -92.7 7.36 43.86 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.919 -177.692 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 72.85 15.71 78.16 Favored Glycine 0 N--CA 1.45 -0.419 0 C-N-CA 121.017 -0.611 . . . . 0.0 112.787 177.677 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 67' ' ' ALA . . . . . 0.563 ' HB2' ' HB2' ' A' ' 70' ' ' ARG . . . -84.13 79.19 9.6 Favored 'General case' 0 C--N 1.322 -0.604 0 CA-C-O 120.988 0.423 . . . . 0.0 110.334 -179.234 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 68' ' ' MET . . . . . 0.812 ' HE1' ' HA ' ' A' ' 68' ' ' MET . 14.5 mmt -70.08 -48.35 58.11 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-N 115.971 -0.558 . . . . 0.0 110.928 -176.016 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 42.3 mt-10 -63.41 -43.27 98.01 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 116.543 -0.299 . . . . 0.0 110.846 179.162 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 70' ' ' ARG . . . . . 0.563 ' HB2' ' HB2' ' A' ' 67' ' ' ALA . 58.4 mtt-85 -65.91 -36.68 84.07 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.593 -0.276 . . . . 0.0 111.074 179.448 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 71' ' ' ALA . . . . . 0.526 ' HB1' HG22 ' A' ' 59' ' ' ILE . . . -61.27 -47.95 83.65 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 121.138 0.494 . . . . 0.0 110.777 178.08 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 72' ' ' ASN . . . . . . . . . . . . . 58.2 m-80 -72.1 -30.69 65.33 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.862 179.576 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 28.3 ttpt -69.84 -33.1 71.84 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.315 -0.402 . . . . 0.0 109.977 176.614 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -62.13 -49.23 76.7 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.034 -0.53 . . . . 0.0 109.735 173.105 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 6.5 ttm180 -56.38 -49.84 73.29 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-N 115.611 -0.722 . . . . 0.0 110.839 178.76 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 47.1 ttm-85 -58.76 -46.47 87.39 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 115.849 -0.614 . . . . 0.0 111.012 -176.708 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 77' ' ' ARG . . . . . 0.671 ' HE ' HD13 ' A' ' 30' ' ' LEU . 46.5 mtt85 -72.65 -37.87 67.86 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 116.054 -0.521 . . . . 0.0 111.628 -177.792 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 78' ' ' CYS . . . . . . . . . . . . . 82.6 m -60.44 -44.6 95.65 Favored 'General case' 0 C--N 1.327 -0.41 0 N-CA-C 109.328 -0.619 . . . . 0.0 109.328 173.376 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . -58.5 -35.48 80.22 Favored Glycine 0 N--CA 1.447 -0.591 0 CA-C-N 115.798 -0.637 . . . . 0.0 112.444 176.925 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 41.4 tt0 -69.12 -37.5 78.38 Favored 'General case' 0 C--N 1.332 -0.174 0 N-CA-C 109.993 -0.373 . . . . 0.0 109.993 177.886 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 81' ' ' VAL . . . . . 0.482 HG21 ' O ' ' A' ' 77' ' ' ARG . 68.8 t -64.23 -44.35 97.41 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.176 -0.465 . . . . 0.0 109.968 175.159 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 82' ' ' PHE . . . . . 0.478 ' O ' HG13 ' A' ' 86' ' ' ILE . 45.9 m-85 -58.43 -46.48 86.41 Favored 'General case' 0 N--CA 1.462 0.143 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.366 174.334 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 83' ' ' ARG . . . . . 0.508 ' O ' HG22 ' A' ' 87' ' ' VAL . 37.3 ttt180 -56.19 -50.11 72.14 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 115.802 -0.636 . . . . 0.0 110.474 177.28 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 84' ' ' TYR . . . . . . . . . . . . . 53.1 t80 -61.16 -37.41 82.78 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 115.825 -0.625 . . . . 0.0 110.709 -179.393 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 85' ' ' ALA . . . . . 0.451 ' HA ' HG23 ' A' ' 88' ' ' THR . . . -65.16 -36.35 83.94 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.294 -0.412 . . . . 0.0 111.06 177.708 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 86' ' ' ILE . . . . . 0.478 HG13 ' O ' ' A' ' 82' ' ' PHE . 76.4 mt -68.71 -34.87 67.17 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 CA-C-O 121.018 0.437 . . . . 0.0 110.155 177.131 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 87' ' ' VAL . . . . . 0.508 HG22 ' O ' ' A' ' 83' ' ' ARG . 76.4 t -68.19 -44.64 84.03 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.399 0 CA-C-N 116.065 -0.516 . . . . 0.0 110.925 178.403 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 88' ' ' THR . . . . . 0.483 HG22 ' HG3' ' A' ' 90' ' ' ARG . 9.8 t -78.98 -11.68 60.01 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.819 0.342 . . . . 0.0 111.139 -179.97 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . 88.8 19.33 51.91 Favored Glycine 0 N--CA 1.451 -0.36 0 C-N-CA 120.758 -0.734 . . . . 0.0 113.77 174.157 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 90' ' ' ARG . . . . . 0.483 ' HG3' HG22 ' A' ' 88' ' ' THR . 74.3 mtt180 -88.91 -18.17 28.07 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-N 117.152 0.476 . . . . 0.0 110.287 178.813 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . -137.61 158.07 45.17 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 115.862 -0.608 . . . . 0.0 109.829 177.497 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 88.1 tttt -106.18 -50.17 3.21 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-O 121.036 0.445 . . . . 0.0 110.504 -179.987 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 93' ' ' TYR . . . . . . . . . . . . . 0.0 OUTLIER -127.2 143.18 51.31 Favored 'General case' 0 C--N 1.323 -0.568 0 CA-C-N 115.905 -0.589 . . . . 0.0 109.93 -178.961 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 94' ' ' ASN . . . . . 0.455 ' HB3' ' HB3' ' A' ' 82' ' ' PHE . 17.6 p-10 -102.22 125.11 37.46 Favored Pre-proline 0 C--N 1.323 -0.57 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.159 179.516 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 95' ' ' PRO . . . . . . . . . . . . . 57.9 Cg_endo -71.9 36.02 0.31 Allowed 'Trans proline' 0 CA--C 1.532 0.394 0 C-N-CA 123.128 2.552 . . . . 0.0 113.085 -178.946 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 96' ' ' ALA . . . . . 0.526 ' N ' ' HD2' ' A' ' 97' ' ' PRO . . . -70.56 -48.1 17.31 Favored Pre-proline 0 CA--C 1.537 0.463 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.576 179.961 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 97' ' ' PRO . . . . . 0.526 ' HD2' ' N ' ' A' ' 96' ' ' ALA . 19.5 Cg_endo -60.03 -38.93 74.61 Favored 'Trans proline' 0 C--N 1.357 1.014 0 C-N-CA 121.779 1.652 . . . . 0.0 111.637 174.903 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 6.6 m-20 -66.42 -37.8 86.0 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 115.756 -0.657 . . . . 0.0 110.474 177.64 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 99' ' ' LEU . . . . . 0.409 HD13 ' C ' ' A' ' 99' ' ' LEU . 2.6 tm? -58.83 -50.06 75.37 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.011 -0.54 . . . . 0.0 110.024 175.823 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 100' ' ' ALA . . . . . 0.463 ' O ' ' HG3' ' A' ' 104' ' ' LYS . . . -62.18 -44.66 96.09 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.077 -0.511 . . . . 0.0 110.815 -179.315 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 38.3 t70 -65.25 -40.78 94.45 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.033 -0.53 . . . . 0.0 111.036 -179.235 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -64.93 -42.76 94.4 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 115.946 -0.57 . . . . 0.0 110.456 177.939 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 103' ' ' MET . . . . . 0.494 ' HE1' HG21 ' A' ' 59' ' ' ILE . 44.0 ttm -53.23 -38.26 62.79 Favored 'General case' 0 C--N 1.331 -0.2 0 CA-C-O 121.108 0.48 . . . . 0.0 110.65 177.579 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 104' ' ' LYS . . . . . 0.463 ' HG3' ' O ' ' A' ' 100' ' ' ALA . 84.6 mttt -72.21 -56.82 4.89 Favored 'General case' 0 C--N 1.322 -0.623 0 CA-C-N 115.851 -0.613 . . . . 0.0 111.026 179.576 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 105' ' ' GLY . . . . . . . . . . . . . . . -67.19 -35.39 88.31 Favored Glycine 0 CA--C 1.518 0.25 0 CA-C-N 115.914 -0.584 . . . . 0.0 113.562 -174.374 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 106' ' ' TYR . . . . . . . . . . . . . 42.7 t80 -64.99 -27.33 68.76 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-O 120.998 0.428 . . . . 0.0 111.128 -176.44 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 107' ' ' ARG . . . . . . . . . . . . . 74.9 mtm180 -73.07 -20.74 60.9 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 116.53 -0.304 . . . . 0.0 111.208 -179.954 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 108' ' ' LYS . . . . . . . . . . . . . 42.9 mmtm -79.63 -46.23 17.61 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-O 120.862 0.363 . . . . 0.0 110.126 175.881 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 109' ' ' LYS . . . . . . . . . . . . . 54.7 tttm -146.77 134.0 20.57 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 115.949 -0.569 . . . . 0.0 110.622 179.312 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 110' ' ' ASN . . . . . . . . . . . . . 20.7 m-80 -69.12 135.93 51.46 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 115.998 -0.546 . . . . 0.0 109.73 174.256 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 111' ' ' LEU . . . . . . . . . . . . . 80.8 mt -98.1 110.9 23.4 Favored 'General case' 0 C--N 1.319 -0.743 0 CA-C-N 116.357 -0.383 . . . . 0.0 110.132 -179.719 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 112' ' ' GLU . . . . . . . . . . . . . 3.5 mp0 -63.16 102.65 0.4 Allowed 'General case' 0 C--N 1.325 -0.463 0 CA-C-N 115.499 -0.773 . . . . 0.0 111.672 -175.976 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 113' ' ' HIS . . . . . . . . . . . . . 26.8 m170 -109.83 96.91 6.55 Favored 'General case' 0 C--N 1.321 -0.655 0 N-CA-C 108.806 -0.812 . . . . 0.0 108.806 171.695 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 114' ' ' HIS . . . . . . . . . . . . . 3.8 t60 -71.9 -34.38 69.08 Favored 'General case' 0 C--N 1.322 -0.592 0 N-CA-C 109.865 -0.42 . . . . 0.0 109.865 -176.284 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 115' ' ' HIS . . . . . . . . . . . . . 23.4 m-70 -94.69 106.63 18.62 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 116.071 -0.513 . . . . 0.0 109.962 175.723 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 116' ' ' HIS . . . . . . . . . . . . . 71.6 m80 -91.22 127.69 36.75 Favored 'General case' 0 C--N 1.319 -0.733 0 CA-C-N 116.139 -0.482 . . . . 0.0 109.861 178.999 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 117' ' ' HIS . . . . . . . . . . . . . 2.9 m170 -78.64 128.24 33.21 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-O 120.876 0.369 . . . . 0.0 111.16 -178.895 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 118' ' ' HIS . . . . . . . . . . . . . 90.4 m-70 . . . . . 0 C--O 1.247 0.922 0 CA-C-O 118.607 -0.711 . . . . 0.0 109.972 177.233 . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 7.0 m-20 . . . . . 0 C--O 1.231 0.088 0 CA-C-O 120.546 0.212 . . . . 0.0 111.393 . . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 6' ' ' SER . . . . . 0.583 ' HA ' ' HA ' ' A' ' 46' ' ' GLU . 73.4 m -69.21 143.91 53.86 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 120.579 0.228 . . . . 0.0 110.49 177.732 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 7' ' ' PHE . . . . . . . . . . . . . 25.0 t80 -58.44 -48.3 81.17 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.014 -0.539 . . . . 0.0 111.453 -173.26 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 53.9 m -54.38 -40.59 68.32 Favored 'General case' 0 N--CA 1.465 0.275 0 N-CA-C 111.905 0.335 . . . . 0.0 111.905 179.887 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -62.53 -50.66 70.46 Favored 'General case' 0 C--O 1.236 0.346 0 CA-C-O 121.078 0.466 . . . . 0.0 110.784 -178.586 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 41.0 mt -68.49 -36.91 76.77 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.441 0 CA-C-N 115.752 -0.658 . . . . 0.0 110.286 -179.428 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 88.5 t80 -60.05 -42.29 94.14 Favored 'General case' 0 C--O 1.221 -0.429 0 CA-C-N 115.689 -0.687 . . . . 0.0 110.467 178.103 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 83.4 tttt -62.6 -43.65 98.27 Favored 'General case' 0 C--N 1.328 -0.327 0 C-N-CA 121.233 -0.187 . . . . 0.0 110.937 -179.826 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 95.7 mt-10 -60.29 -48.25 82.54 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-O 121.307 0.575 . . . . 0.0 110.42 178.419 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 14' ' ' TRP . . . . . 0.445 ' CH2' ' HH2' ' A' ' 22' ' ' TRP . 63.2 t90 -64.24 -42.51 96.49 Favored 'General case' 0 C--N 1.323 -0.571 0 CA-C-N 115.524 -0.762 . . . . 0.0 110.763 178.029 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 15' ' ' TYR . . . . . . . . . . . . . 16.9 t80 -60.02 -51.77 68.23 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 115.918 -0.583 . . . . 0.0 111.564 179.769 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 16' ' ' GLU . . . . . 0.433 ' HA ' ' HE2' ' A' ' 19' ' ' LYS . 28.6 mt-10 -68.23 -22.76 64.76 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-O 120.893 0.378 . . . . 0.0 111.181 -177.844 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 17' ' ' HIS . . . . . . . . . . . . . 30.3 t-80 -73.57 -48.38 33.32 Favored 'General case' 0 C--N 1.323 -0.544 0 N-CA-C 109.233 -0.655 . . . . 0.0 109.233 175.148 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 40.8 mmtm -70.85 -18.04 62.72 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 115.661 -0.7 . . . . 0.0 111.379 179.087 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 19' ' ' LYS . . . . . 0.433 ' HE2' ' HA ' ' A' ' 16' ' ' GLU . 36.4 ttpt -62.14 -21.68 65.24 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-O 121.184 0.516 . . . . 0.0 110.825 178.756 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 81.8 mt-30 -90.26 1.86 56.05 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.659 178.985 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 61.1 t -110.81 -49.49 6.5 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 CA-C-N 116.013 -0.54 . . . . 0.0 110.22 179.048 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 22' ' ' TRP . . . . . 0.445 ' HH2' ' CH2' ' A' ' 14' ' ' TRP . 14.4 m0 -81.27 171.5 14.75 Favored 'General case' 0 C--N 1.323 -0.551 0 CA-C-N 115.788 -0.642 . . . . 0.0 110.718 179.742 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 24.4 m -73.65 142.56 46.47 Favored 'General case' 0 C--N 1.322 -0.605 0 CA-C-N 115.872 -0.604 . . . . 0.0 109.611 172.873 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 13.9 p -55.18 -44.52 75.16 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.433 0 N-CA-C 111.901 0.334 . . . . 0.0 111.901 -175.924 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -65.75 -39.51 95.27 Favored Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.683 -0.77 . . . . 0.0 111.737 -179.532 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 26' ' ' TYR . . . . . . . . . . . . . 94.5 t80 -65.37 -47.28 76.95 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 115.505 -0.347 . . . . 0.0 110.344 177.422 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -59.96 -47.01 87.54 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.099 -0.501 . . . . 0.0 111.426 -178.175 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 49.3 m -56.74 -51.24 69.61 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 116.513 -0.312 . . . . 0.0 111.616 -179.972 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 37.7 mt-10 -78.05 -22.71 48.72 Favored 'General case' 0 C--N 1.327 -0.382 0 C-N-CA 120.848 -0.341 . . . . 0.0 111.58 -176.25 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 5.8 tt -62.79 -46.92 85.76 Favored 'General case' 0 C--N 1.331 -0.235 0 N-CA-C 109.52 -0.548 . . . . 0.0 109.52 172.214 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -65.93 -40.6 91.56 Favored 'General case' 0 N--CA 1.448 -0.543 0 CA-C-N 115.671 -0.695 . . . . 0.0 110.014 176.37 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 87.4 tttt -57.59 -46.36 84.12 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.173 -0.467 . . . . 0.0 112.123 -178.37 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 33' ' ' MET . . . . . . . . . . . . . 4.9 ppp? -72.64 -32.04 65.57 Favored 'General case' 0 N--CA 1.465 0.304 0 CA-C-O 120.811 0.339 . . . . 0.0 110.851 179.95 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 34' ' ' PHE . . . . . 0.72 ' HD2' HH21 ' A' ' 77' ' ' ARG . 36.5 t80 -66.75 -49.89 64.49 Favored 'General case' 0 C--N 1.328 -0.37 0 N-CA-C 109.175 -0.676 . . . . 0.0 109.175 175.605 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 35' ' ' ASP . . . . . 0.765 ' HA ' HD23 ' A' ' 39' ' ' LEU . 9.3 m-20 -58.79 -42.58 89.36 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.343 -0.389 . . . . 0.0 110.951 177.296 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 23.4 t70 -61.8 -40.92 96.92 Favored 'General case' 0 C--N 1.324 -0.521 0 N-CA-C 111.985 0.365 . . . . 0.0 111.985 -174.118 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 37' ' ' ASP . . . . . 0.517 ' HB3' ' HG2' ' A' ' 61' ' ' ARG . 41.5 m-20 -101.37 -39.91 7.35 Favored 'General case' 0 C--N 1.327 -0.402 0 N-CA-C 112.473 0.546 . . . . 0.0 112.473 -175.934 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 38' ' ' ILE . . . . . 0.563 ' HB ' ' O ' ' A' ' 34' ' ' PHE . 2.0 mp -74.48 -41.99 49.37 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.365 0 N-CA-C 111.861 0.319 . . . . 0.0 111.861 -175.88 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 39' ' ' LEU . . . . . 0.765 HD23 ' HA ' ' A' ' 35' ' ' ASP . 1.3 mm? -56.54 -49.08 95.63 Favored Pre-proline 0 N--CA 1.467 0.413 0 N-CA-C 112.771 0.656 . . . . 0.0 112.771 -175.02 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 48.2 Cg_exo -58.69 -19.0 43.69 Favored 'Trans proline' 0 C--N 1.353 0.792 0 C-N-CA 122.1 1.867 . . . . 0.0 112.825 176.261 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 41' ' ' ILE . . . . . 0.685 HG22 HG23 ' A' ' 42' ' ' ILE . 41.1 mm -98.75 -60.49 2.72 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 N-CA-C 111.672 0.249 . . . . 0.0 111.672 -176.61 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 42' ' ' ILE . . . . . 0.685 HG23 HG22 ' A' ' 41' ' ' ILE . 4.6 pt -135.58 7.49 1.0 Allowed 'Isoleucine or valine' 0 N--CA 1.467 0.385 0 N-CA-C 113.101 0.778 . . . . 0.0 113.101 -173.291 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 43' ' ' GLY . . . . . 0.59 ' HA3' ' HA ' ' A' ' 39' ' ' LEU . . . -57.86 -49.85 70.93 Favored Glycine 0 CA--C 1.516 0.141 0 C-N-CA 120.356 -0.926 . . . . 0.0 113.412 -172.299 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -85.48 5.97 81.66 Favored Glycine 0 N--CA 1.445 -0.707 0 C-N-CA 120.613 -0.803 . . . . 0.0 112.807 -175.9 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 86.9 mt -87.1 165.52 15.7 Favored 'General case' 0 N--CA 1.45 -0.443 0 CA-C-O 120.869 0.366 . . . . 0.0 110.267 179.804 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 46' ' ' GLU . . . . . 0.597 ' O ' HG13 ' A' ' 50' ' ' ILE . 44.7 mt-10 -83.34 137.6 33.89 Favored 'General case' 0 C--N 1.32 -0.677 0 N-CA-C 109.632 -0.507 . . . . 0.0 109.632 175.43 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 47' ' ' ILE . . . . . 0.431 HD13 ' HB2' ' A' ' 85' ' ' ALA . 15.1 tt -61.49 -23.49 30.82 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.534 0 CA-C-O 121.107 0.48 . . . . 0.0 111.302 -174.461 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 42.9 tt0 -91.45 -12.73 33.83 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.5 179.204 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 49' ' ' ASP . . . . . 0.449 ' HB2' ' HB2' ' A' ' 46' ' ' GLU . 0.5 OUTLIER -114.95 18.62 16.31 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 115.882 -0.599 . . . . 0.0 110.661 -170.735 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 50' ' ' ILE . . . . . 0.597 HG13 ' O ' ' A' ' 46' ' ' GLU . 85.0 mt -85.38 130.45 36.21 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 CA-C-N 115.946 -0.57 . . . . 0.0 110.703 179.874 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 40.4 mt-10 -74.52 142.75 78.16 Favored Pre-proline 0 C--N 1.325 -0.465 0 CA-C-N 115.967 -0.56 . . . . 0.0 110.574 -179.742 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 52' ' ' PRO . . . . . 0.71 ' HB3' ' HB3' ' A' ' 98' ' ' ASP . 9.3 Cg_endo -53.96 -41.86 71.58 Favored 'Trans proline' 0 C--N 1.345 0.356 0 C-N-CA 123.007 2.471 . . . . 0.0 112.471 179.164 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 53' ' ' MET . . . . . . . . . . . . . 64.0 mtt -72.47 -23.96 61.12 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.36 -0.382 . . . . 0.0 111.271 -178.354 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 59.9 mt-30 -74.25 -38.75 63.38 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 120.856 0.36 . . . . 0.0 110.832 178.875 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 55' ' ' LEU . . . . . 0.555 HD23 ' HB2' ' A' ' 99' ' ' LEU . 22.7 tp -65.89 -35.73 81.44 Favored 'General case' 0 C--N 1.322 -0.604 0 N-CA-C 109.096 -0.705 . . . . 0.0 109.096 175.6 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 2.6 tm? -70.06 -30.15 67.34 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 115.534 -0.757 . . . . 0.0 109.934 175.912 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 57' ' ' GLU . . . . . 0.421 ' HA ' ' HB2' ' A' ' 60' ' ' ARG . 34.9 tt0 -67.24 -31.45 71.82 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-O 120.793 0.33 . . . . 0.0 110.196 177.931 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 58' ' ' VAL . . . . . 0.464 ' O ' ' HB3' ' A' ' 61' ' ' ARG . 97.6 t -63.67 -49.72 81.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-O 121.409 0.623 . . . . 0.0 109.985 173.006 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 59' ' ' ILE . . . . . . . . . . . . . 1.8 mp -61.22 -39.17 81.63 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.408 0 CA-C-N 115.648 -0.706 . . . . 0.0 110.015 176.112 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 60' ' ' ARG . . . . . 0.421 ' HB2' ' HA ' ' A' ' 57' ' ' GLU . 0.1 OUTLIER -56.82 -45.98 81.95 Favored 'General case' 0 C--O 1.231 0.129 0 CA-C-N 115.968 -0.56 . . . . 0.0 110.107 176.562 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 61' ' ' ARG . . . . . 0.517 ' HG2' ' HB3' ' A' ' 37' ' ' ASP . 10.3 tpt180 -51.55 -49.2 62.47 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 114.625 -1.171 . . . . 0.0 111.419 179.472 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 62' ' ' PHE . . . . . . . . . . . . . 87.7 m-85 -78.01 -43.66 28.83 Favored 'General case' 0 C--N 1.328 -0.367 0 N-CA-C 112.039 0.385 . . . . 0.0 112.039 -178.735 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 63' ' ' GLU . . . . . 0.516 ' HG3' ' CE ' ' A' ' 68' ' ' MET . 47.9 tt0 -62.19 -40.19 95.23 Favored 'General case' 0 N--CA 1.463 0.215 0 N-CA-C 111.692 0.256 . . . . 0.0 111.692 -174.816 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 35.5 t70 -65.05 -23.66 67.25 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.797 0.332 . . . . 0.0 111.165 -176.301 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 65' ' ' ARG . . . . . 0.402 HH11 ' HD3' ' A' ' 65' ' ' ARG . 44.1 mtm-85 -84.96 -9.1 58.41 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.742 0.306 . . . . 0.0 110.525 177.589 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 99.33 -4.39 58.46 Favored Glycine 0 N--CA 1.448 -0.544 0 C-N-CA 120.651 -0.785 . . . . 0.0 111.882 179.429 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 67' ' ' ALA . . . . . 0.544 ' HB1' ' HB2' ' A' ' 70' ' ' ARG . . . -78.55 81.51 4.87 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-O 121.141 0.496 . . . . 0.0 110.406 -179.487 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 68' ' ' MET . . . . . 0.567 ' HA ' ' CE ' ' A' ' 68' ' ' MET . 0.1 OUTLIER -70.71 -46.18 63.56 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-N 115.857 -0.611 . . . . 0.0 110.593 -176.024 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 38.2 mt-10 -62.7 -41.23 99.02 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 115.836 -0.62 . . . . 0.0 110.215 179.537 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 70' ' ' ARG . . . . . 0.544 ' HB2' ' HB1' ' A' ' 67' ' ' ALA . 90.0 mtt180 -72.83 -33.47 66.19 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 115.867 -0.606 . . . . 0.0 111.17 -177.496 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -63.58 -45.75 89.01 Favored 'General case' 0 C--O 1.233 0.226 0 CA-C-O 121.17 0.51 . . . . 0.0 110.111 175.173 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 72' ' ' ASN . . . . . 0.43 ' O ' ' HG3' ' A' ' 76' ' ' ARG . 31.9 m-80 -68.22 -33.43 74.39 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 115.656 -0.702 . . . . 0.0 110.367 176.935 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 3.3 tppp? -68.75 -33.67 74.3 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.159 -0.473 . . . . 0.0 109.995 179.317 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -61.6 -54.54 41.63 Favored 'General case' 0 N--CA 1.452 -0.342 0 N-CA-C 109.537 -0.542 . . . . 0.0 109.537 174.296 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 40.3 ttt180 -53.41 -43.81 68.24 Favored 'General case' 0 CA--C 1.532 0.255 0 CA-C-N 116.055 -0.52 . . . . 0.0 110.8 176.214 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 76' ' ' ARG . . . . . 0.43 ' HG3' ' O ' ' A' ' 72' ' ' ASN . 89.8 mtt-85 -56.07 -57.87 10.32 Favored 'General case' 0 CA--C 1.521 -0.167 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.376 178.268 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 77' ' ' ARG . . . . . 0.72 HH21 ' HD2' ' A' ' 34' ' ' PHE . 20.9 mtm180 -70.48 -33.3 71.09 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 116.286 -0.415 . . . . 0.0 111.373 -173.527 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 78' ' ' CYS . . . . . . . . . . . . . 90.0 m -61.42 -50.15 74.0 Favored 'General case' 0 C--N 1.326 -0.449 0 N-CA-C 110.022 -0.362 . . . . 0.0 110.022 174.903 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . -61.71 -33.77 86.27 Favored Glycine 0 C--N 1.332 0.35 0 C-N-CA 121.015 -0.612 . . . . 0.0 111.853 176.606 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 40.0 tp10 -63.17 -41.54 99.25 Favored 'General case' 0 C--N 1.324 -0.512 0 C-N-CA 122.755 0.422 . . . . 0.0 110.768 175.647 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 81' ' ' VAL . . . . . 0.522 HG23 ' O ' ' A' ' 77' ' ' ARG . 93.4 t -70.67 -39.84 76.29 Favored 'Isoleucine or valine' 0 CA--C 1.53 0.202 0 CA-C-N 116.538 -0.301 . . . . 0.0 110.423 176.456 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 82' ' ' PHE . . . . . 0.4 ' O ' HG13 ' A' ' 86' ' ' ILE . 37.6 m-85 -56.23 -44.13 79.3 Favored 'General case' 0 N--CA 1.462 0.13 0 CA-C-O 120.973 0.416 . . . . 0.0 110.229 174.384 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 83' ' ' ARG . . . . . 0.476 ' O ' HG23 ' A' ' 87' ' ' VAL . 9.6 tpt180 -59.78 -44.24 93.99 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 115.839 -0.619 . . . . 0.0 110.394 177.299 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 84' ' ' TYR . . . . . . . . . . . . . 12.9 t80 -62.19 -38.33 88.71 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 115.675 -0.693 . . . . 0.0 110.368 -178.622 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 85' ' ' ALA . . . . . 0.495 ' HA ' HG22 ' A' ' 88' ' ' THR . . . -67.85 -32.52 73.11 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.016 -0.538 . . . . 0.0 111.478 179.476 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 86' ' ' ILE . . . . . 0.4 HG13 ' O ' ' A' ' 82' ' ' PHE . 76.2 mt -71.77 -35.38 55.02 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.411 0 CA-C-O 120.998 0.428 . . . . 0.0 110.367 177.575 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 87' ' ' VAL . . . . . 0.476 HG23 ' O ' ' A' ' 83' ' ' ARG . 93.0 t -70.78 -40.5 76.83 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.38 0 CA-C-N 115.963 -0.562 . . . . 0.0 111.15 179.683 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 88' ' ' THR . . . . . 0.495 HG22 ' HA ' ' A' ' 85' ' ' ALA . 12.8 t -79.14 -7.77 58.46 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-N 116.502 -0.317 . . . . 0.0 110.924 -179.45 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . 78.7 40.8 16.92 Favored Glycine 0 N--CA 1.452 -0.286 0 C-N-CA 120.829 -0.7 . . . . 0.0 113.091 177.3 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 90' ' ' ARG . . . . . 0.453 ' HD2' HH11 ' A' ' 90' ' ' ARG . 57.8 mtt180 -103.37 -38.1 7.35 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-O 121.136 0.493 . . . . 0.0 110.322 176.028 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . -125.83 136.91 53.63 Favored 'General case' 0 C--N 1.323 -0.578 0 CA-C-N 115.76 -0.655 . . . . 0.0 110.173 -179.981 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 57.6 tttm -94.92 -35.67 11.92 Favored 'General case' 0 C--N 1.323 -0.582 0 N-CA-C 109.212 -0.662 . . . . 0.0 109.212 177.075 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 93' ' ' TYR . . . . . . . . . . . . . 80.2 t80 -125.21 136.73 53.86 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 115.226 -0.897 . . . . 0.0 110.064 178.315 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 94' ' ' ASN . . . . . . . . . . . . . 26.6 p-10 -118.9 137.2 24.77 Favored Pre-proline 0 C--N 1.32 -0.674 0 CA-C-N 115.818 -0.628 . . . . 0.0 110.034 177.873 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 95' ' ' PRO . . . . . . . . . . . . . 60.3 Cg_endo -75.6 32.73 0.38 Allowed 'Trans proline' 0 CA--C 1.532 0.383 0 C-N-CA 122.867 2.378 . . . . 0.0 113.089 -178.468 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 96' ' ' ALA . . . . . 0.54 ' N ' ' HD2' ' A' ' 97' ' ' PRO . . . -65.4 -46.25 70.1 Favored Pre-proline 0 CA--C 1.539 0.549 0 CA-C-N 116.381 -0.372 . . . . 0.0 111.511 178.014 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 97' ' ' PRO . . . . . 0.54 ' HD2' ' N ' ' A' ' 96' ' ' ALA . 20.5 Cg_endo -62.35 -33.5 79.91 Favored 'Trans proline' 0 C--N 1.356 0.952 0 C-N-CA 121.941 1.761 . . . . 0.0 112.092 173.093 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 98' ' ' ASP . . . . . 0.71 ' HB3' ' HB3' ' A' ' 52' ' ' PRO . 44.3 m-20 -66.56 -33.2 75.14 Favored 'General case' 0 C--N 1.332 -0.182 0 CA-C-N 116.076 -0.511 . . . . 0.0 110.398 179.688 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 99' ' ' LEU . . . . . 0.555 ' HB2' HD23 ' A' ' 55' ' ' LEU . 3.2 tm? -56.07 -46.41 78.99 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 115.774 -0.648 . . . . 0.0 109.849 175.041 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 100' ' ' ALA . . . . . . . . . . . . . . . -65.17 -40.75 94.71 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 115.902 -0.59 . . . . 0.0 110.657 -179.652 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 23.6 t70 -66.72 -40.35 88.37 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 116.052 -0.522 . . . . 0.0 110.858 -179.712 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -67.08 -41.78 85.78 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.972 179.036 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 103' ' ' MET . . . . . . . . . . . . . 51.3 ttm -65.09 -37.22 86.81 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-O 121.104 0.478 . . . . 0.0 110.35 178.748 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 104' ' ' LYS . . . . . 0.479 ' HE2' ' HB3' ' A' ' 104' ' ' LYS . 25.7 ttpt . . . . . 0 C--N 1.324 -0.527 0 CA-C-N 115.543 -0.753 . . . . 0.0 111.2 177.783 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER . . . . . 0 N--CA 1.462 0.165 0 N-CA-C 109.533 -0.543 . . . . 0.0 109.533 . . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 6' ' ' SER . . . . . 0.572 ' HA ' ' HA ' ' A' ' 46' ' ' GLU . 5.7 m -75.64 143.41 42.26 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 115.641 -0.709 . . . . 0.0 110.427 -179.187 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 7' ' ' PHE . . . . . . . . . . . . . 42.6 t80 -63.43 -43.2 98.14 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.601 -0.272 . . . . 0.0 110.612 -177.041 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 9.7 p -53.53 -47.67 69.75 Favored 'General case' 0 C--O 1.237 0.426 0 CA-C-O 120.851 0.358 . . . . 0.0 111.527 178.145 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -63.95 -49.55 72.11 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 115.913 -0.585 . . . . 0.0 111.456 -178.186 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 10' ' ' ILE . . . . . 0.523 HG21 ' HB2' ' A' ' 85' ' ' ALA . 69.2 mt -66.07 -40.25 86.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.764 -178.2 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 9.5 t80 -58.74 -48.66 80.41 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.139 177.483 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 20.6 tptm -61.84 -39.26 91.19 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 120.628 0.251 . . . . 0.0 110.704 -178.003 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 28.2 tt0 -67.91 -50.05 58.42 Favored 'General case' 0 C--N 1.326 -0.416 0 N-CA-C 109.997 -0.371 . . . . 0.0 109.997 178.689 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 14' ' ' TRP . . . . . . . . . . . . . 51.3 t90 -51.84 -47.61 64.3 Favored 'General case' 0 C--O 1.235 0.312 0 CA-C-N 115.811 -0.631 . . . . 0.0 110.816 178.085 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 15' ' ' TYR . . . . . 0.503 ' O ' ' HB2' ' A' ' 19' ' ' LYS . 25.9 t80 -57.82 -49.22 77.37 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 115.817 -0.629 . . . . 0.0 111.23 178.943 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 61.9 mm-40 -66.17 -26.67 67.52 Favored 'General case' 0 C--N 1.328 -0.369 0 N-CA-C 112.034 0.383 . . . . 0.0 112.034 -176.329 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 17' ' ' HIS . . . . . . . . . . . . . 57.8 m80 -75.25 -54.13 7.62 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-O 120.999 0.428 . . . . 0.0 110.455 175.813 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 35.0 tptt -73.66 -9.51 58.74 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 121.197 0.522 . . . . 0.0 110.206 -176.88 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 19' ' ' LYS . . . . . 0.503 ' HB2' ' O ' ' A' ' 15' ' ' TYR . 55.8 tttt -57.55 -28.57 63.64 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 115.151 -0.932 . . . . 0.0 110.677 177.42 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 95.6 mt-30 -77.51 -17.91 57.53 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 115.786 -0.643 . . . . 0.0 111.056 -178.224 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 65.9 t -89.7 -47.99 14.65 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.776 -177.869 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 22' ' ' TRP . . . . . . . . . . . . . 19.7 m0 -81.86 154.26 25.95 Favored 'General case' 0 C--N 1.321 -0.656 0 CA-C-N 116.059 -0.519 . . . . 0.0 110.268 -178.224 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 23.0 p -65.31 138.25 58.06 Favored 'General case' 0 C--N 1.323 -0.58 0 N-CA-C 109.377 -0.601 . . . . 0.0 109.377 174.43 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 10.7 p -54.07 -38.08 36.9 Favored 'Isoleucine or valine' 0 CA--C 1.529 0.164 0 N-CA-C 111.712 0.264 . . . . 0.0 111.712 -173.88 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -60.88 -48.58 85.53 Favored Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.583 -0.817 . . . . 0.0 112.125 -179.995 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 26' ' ' TYR . . . . . . . . . . . . . 55.6 t80 -72.79 -36.48 67.6 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-O 120.539 0.209 . . . . 0.0 110.622 179.569 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -59.1 -47.11 86.47 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.392 -0.367 . . . . 0.0 110.726 179.038 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 25.6 m -59.61 -44.6 93.36 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-O 120.879 0.371 . . . . 0.0 110.68 177.136 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 35.1 tt0 -66.19 -47.69 73.11 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.408 -178.179 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 9.8 tt -58.56 -44.26 89.65 Favored 'General case' 0 C--O 1.235 0.305 0 N-CA-C 110.032 -0.359 . . . . 0.0 110.032 179.1 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 31' ' ' ALA . . . . . 0.416 ' HB2' ' CE1' ' A' ' 15' ' ' TYR . . . -66.16 -48.06 71.99 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 115.733 -0.667 . . . . 0.0 111.083 179.935 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 49.7 tttm -64.95 -36.8 85.55 Favored 'General case' 0 C--N 1.324 -0.529 0 C-N-CA 120.984 -0.286 . . . . 0.0 110.873 -177.26 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 33' ' ' MET . . . . . . . . . . . . . 58.6 ttp -63.59 -44.0 95.31 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 121.321 0.582 . . . . 0.0 109.825 175.828 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 34' ' ' PHE . . . . . 0.433 ' CD2' HD12 ' A' ' 38' ' ' ILE . 10.7 t80 -62.41 -49.61 74.82 Favored 'General case' 0 C--O 1.221 -0.442 0 CA-C-N 115.403 -0.817 . . . . 0.0 109.606 177.957 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 35' ' ' ASP . . . . . 0.561 ' HA ' ' HB2' ' A' ' 39' ' ' LEU . 13.4 t70 -66.38 -53.09 39.96 Favored 'General case' 0 C--N 1.32 -0.712 0 CA-C-N 116.244 -0.435 . . . . 0.0 111.697 -176.756 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -60.94 -31.23 70.77 Favored 'General case' 0 C--N 1.325 -0.47 0 N-CA-C 112.799 0.666 . . . . 0.0 112.799 -174.715 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 13.6 m-20 -102.7 -43.25 5.64 Favored 'General case' 0 C--N 1.33 -0.272 0 N-CA-C 112.687 0.625 . . . . 0.0 112.687 -178.69 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 38' ' ' ILE . . . . . 0.595 HG12 HG13 ' A' ' 58' ' ' VAL . 18.0 mt -90.38 -34.05 6.31 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.428 0 N-CA-C 112.296 0.48 . . . . 0.0 112.296 -170.086 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 39' ' ' LEU . . . . . 0.561 ' HB2' ' HA ' ' A' ' 35' ' ' ASP . 0.4 OUTLIER -61.15 -46.71 95.98 Favored Pre-proline 0 CA--C 1.542 0.644 0 N-CA-C 111.77 0.285 . . . . 0.0 111.77 -175.547 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 40' ' ' PRO . . . . . 0.52 ' HD3' ' O ' ' A' ' 35' ' ' ASP . 21.0 Cg_exo -67.57 -5.05 13.22 Favored 'Trans proline' 0 C--N 1.356 0.937 0 C-N-CA 121.916 1.744 . . . . 0.0 113.011 177.782 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 41' ' ' ILE . . . . . 0.487 HG22 HG23 ' A' ' 42' ' ' ILE . 30.2 mm -100.04 -58.49 3.84 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.409 0 CA-C-O 120.546 0.213 . . . . 0.0 111.051 179.965 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 42' ' ' ILE . . . . . 0.502 ' HA ' HD12 ' A' ' 45' ' ' LEU . 11.3 pt -125.82 8.23 4.1 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.249 0 N-CA-C 112.377 0.51 . . . . 0.0 112.377 -175.874 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -61.34 -41.78 99.61 Favored Glycine 0 N--CA 1.452 -0.272 0 C-N-CA 120.617 -0.801 . . . . 0.0 112.453 -176.17 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -81.7 2.05 84.18 Favored Glycine 0 N--CA 1.446 -0.64 0 C-N-CA 121.02 -0.609 . . . . 0.0 112.943 -179.413 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 45' ' ' LEU . . . . . 0.502 HD12 ' HA ' ' A' ' 42' ' ' ILE . 75.6 mt -89.62 151.55 21.84 Favored 'General case' 0 N--CA 1.45 -0.452 0 CA-C-N 117.047 0.423 . . . . 0.0 110.045 -179.917 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 46' ' ' GLU . . . . . 0.617 ' O ' HG13 ' A' ' 50' ' ' ILE . 41.8 mt-10 -83.5 144.89 29.24 Favored 'General case' 0 C--N 1.32 -0.681 0 N-CA-C 109.166 -0.679 . . . . 0.0 109.166 177.084 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 47' ' ' ILE . . . . . 0.537 HD11 ' HA ' ' A' ' 82' ' ' PHE . 13.8 tt -64.86 -17.96 22.68 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.661 0 CA-C-O 121.209 0.528 . . . . 0.0 111.355 -172.609 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 96.4 mt-30 -100.18 5.04 44.75 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-N 115.902 -0.59 . . . . 0.0 110.672 178.608 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 19.1 t70 -137.03 6.28 2.85 Favored 'General case' 0 CA--C 1.534 0.352 0 CA-C-O 120.933 0.397 . . . . 0.0 111.734 -170.214 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 50' ' ' ILE . . . . . 0.617 HG13 ' O ' ' A' ' 46' ' ' GLU . 83.3 mt -66.65 129.31 31.01 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.358 0 CA-C-O 121.209 0.528 . . . . 0.0 111.576 -177.021 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 51' ' ' GLU . . . . . 0.437 ' HB3' ' HB2' ' A' ' 54' ' ' GLN . 2.5 tm-20 -74.91 126.37 88.38 Favored Pre-proline 0 C--N 1.326 -0.448 0 CA-C-N 115.148 -0.933 . . . . 0.0 109.938 -178.63 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 52' ' ' PRO . . . . . . . . . . . . . 74.7 Cg_exo -48.89 -46.78 23.64 Favored 'Trans proline' 0 C--N 1.348 0.517 0 C-N-CA 123.7 2.933 . . . . 0.0 114.173 -177.62 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 53' ' ' MET . . . . . . . . . . . . . 65.3 mtm -75.76 -19.74 58.79 Favored 'General case' 0 C--N 1.328 -0.341 0 C-N-CA 121.091 -0.244 . . . . 0.0 111.157 -176.855 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 54' ' ' GLN . . . . . 0.437 ' HB2' ' HB3' ' A' ' 51' ' ' GLU . 40.7 mt-30 -76.69 -36.3 57.34 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-O 120.874 0.368 . . . . 0.0 110.275 172.767 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 55' ' ' LEU . . . . . 0.403 ' O ' ' HB ' ' A' ' 58' ' ' VAL . 30.8 tp -67.87 -33.79 75.42 Favored 'General case' 0 C--N 1.324 -0.518 0 N-CA-C 109.234 -0.654 . . . . 0.0 109.234 174.341 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 56' ' ' LEU . . . . . 0.465 HD13 ' O ' ' A' ' 56' ' ' LEU . 2.0 tm? -73.66 -29.52 62.37 Favored 'General case' 0 CA--C 1.531 0.229 0 CA-C-N 115.762 -0.654 . . . . 0.0 109.759 175.491 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 33.2 tt0 -64.69 -29.05 70.04 Favored 'General case' 0 C--N 1.329 -0.298 0 N-CA-C 109.862 -0.422 . . . . 0.0 109.862 176.407 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 58' ' ' VAL . . . . . 0.595 HG13 HG12 ' A' ' 38' ' ' ILE . 69.2 t -67.77 -48.65 74.97 Favored 'Isoleucine or valine' 0 C--O 1.236 0.39 0 CA-C-O 121.57 0.7 . . . . 0.0 110.092 172.105 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 59' ' ' ILE . . . . . 0.405 ' HB ' HD22 ' A' ' 56' ' ' LEU . 48.1 mm -54.69 -48.77 71.8 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.683 0 CA-C-N 115.262 -0.881 . . . . 0.0 110.116 176.615 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 60' ' ' ARG . . . . . 0.586 ' HA ' ' HB2' ' A' ' 63' ' ' GLU . 37.0 mtt180 -78.47 -7.3 57.29 Favored 'General case' 0 C--N 1.331 -0.196 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.92 179.883 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 61' ' ' ARG . . . . . 0.532 ' HB3' ' O ' ' A' ' 58' ' ' VAL . 8.8 tpt180 -68.17 -36.13 79.13 Favored 'General case' 0 C--N 1.323 -0.561 0 N-CA-C 108.247 -1.019 . . . . 0.0 108.247 170.962 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 62' ' ' PHE . . . . . . . . . . . . . 90.9 m-85 -84.23 -31.39 25.04 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 115.432 -0.803 . . . . 0.0 111.392 174.831 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 63' ' ' GLU . . . . . 0.586 ' HB2' ' HA ' ' A' ' 60' ' ' ARG . 35.2 mt-10 -65.32 -25.22 67.52 Favored 'General case' 0 N--CA 1.467 0.386 0 C-N-CA 120.837 -0.345 . . . . 0.0 110.484 175.259 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 20.4 t70 -52.85 -42.74 65.5 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 115.719 -0.673 . . . . 0.0 110.843 174.881 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 82.6 mtm-85 -96.22 4.79 52.14 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-N 116.156 -0.474 . . . . 0.0 111.111 -177.848 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 79.77 18.57 72.59 Favored Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 121.036 -0.602 . . . . 0.0 112.779 175.973 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -91.04 86.48 6.25 Favored 'General case' 0 C--N 1.322 -0.603 0 O-C-N 122.689 -0.3 . . . . 0.0 110.64 -178.802 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 68' ' ' MET . . . . . 0.449 ' HA ' ' CE ' ' A' ' 68' ' ' MET . 13.8 mmt -63.63 -40.01 95.81 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.077 -0.51 . . . . 0.0 110.615 -179.669 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 37.0 tt0 -68.32 -44.66 74.88 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 115.741 -0.663 . . . . 0.0 110.471 -179.194 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 59.2 mtt-85 -74.2 -22.35 59.42 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.465 -0.334 . . . . 0.0 110.833 -178.286 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -66.02 -48.71 70.24 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-O 121.142 0.496 . . . . 0.0 109.794 173.351 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 72' ' ' ASN . . . . . . . . . . . . . 42.8 m-80 -70.71 -26.45 63.41 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 116.022 -0.535 . . . . 0.0 110.287 176.15 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 46.2 tptt -62.65 -40.51 97.25 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 115.99 -0.55 . . . . 0.0 109.579 174.371 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -61.61 -47.6 84.69 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 116.267 -0.424 . . . . 0.0 109.987 173.73 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 59.6 ttt180 -56.19 -54.59 43.36 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 115.16 -0.927 . . . . 0.0 111.624 -178.806 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 99.5 mtt180 -66.99 -40.22 87.34 Favored 'General case' 0 C--N 1.327 -0.373 0 N-CA-C 112.0 0.37 . . . . 0.0 112.0 -176.182 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 77' ' ' ARG . . . . . 0.452 ' O ' HG23 ' A' ' 81' ' ' VAL . 80.4 mtm180 -66.37 -39.46 89.13 Favored 'General case' 0 C--N 1.329 -0.287 0 C-N-CA 120.959 -0.296 . . . . 0.0 111.027 -179.428 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 78' ' ' CYS . . . . . . . . . . . . . 71.3 m -63.57 -43.55 96.68 Favored 'General case' 0 C--N 1.329 -0.302 0 N-CA-C 109.815 -0.439 . . . . 0.0 109.815 175.441 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . -59.4 -35.27 84.46 Favored Glycine 0 C--N 1.333 0.378 0 C-N-CA 121.137 -0.554 . . . . 0.0 112.182 175.463 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 25.7 tp10 -67.73 -43.82 79.05 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-O 120.631 0.253 . . . . 0.0 110.544 177.803 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 81' ' ' VAL . . . . . 0.452 HG23 ' O ' ' A' ' 77' ' ' ARG . 94.4 t -61.02 -42.82 94.55 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.226 0 N-CA-C 109.826 -0.435 . . . . 0.0 109.826 174.958 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 82' ' ' PHE . . . . . 0.546 ' HB3' ' HB3' ' A' ' 94' ' ' ASN . 19.6 m-85 -57.23 -51.28 70.0 Favored 'General case' 0 C--N 1.332 -0.152 0 CA-C-N 115.821 -0.627 . . . . 0.0 110.247 175.568 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 83' ' ' ARG . . . . . 0.533 ' O ' HG23 ' A' ' 87' ' ' VAL . 65.2 ttp85 -56.54 -50.52 71.64 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 115.92 -0.582 . . . . 0.0 110.651 -179.886 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 84' ' ' TYR . . . . . . . . . . . . . 66.7 t80 -55.02 -44.7 74.86 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 115.862 -0.608 . . . . 0.0 110.874 -179.622 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 85' ' ' ALA . . . . . 0.523 ' HB2' HG21 ' A' ' 10' ' ' ILE . . . -69.46 -36.33 76.48 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.06 -0.518 . . . . 0.0 111.594 -179.647 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 86' ' ' ILE . . . . . 0.479 HG13 ' O ' ' A' ' 82' ' ' PHE . 72.8 mt -63.67 -42.85 97.43 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 CA-C-O 120.715 0.293 . . . . 0.0 110.529 177.414 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 87' ' ' VAL . . . . . 0.533 HG23 ' O ' ' A' ' 83' ' ' ARG . 59.1 t -63.41 -40.0 87.4 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-N 116.443 -0.344 . . . . 0.0 111.395 -179.319 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 88' ' ' THR . . . . . 0.441 HG23 ' HG3' ' A' ' 90' ' ' ARG . 9.6 t -82.1 -10.29 59.25 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-O 120.992 0.425 . . . . 0.0 110.939 179.317 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . 84.76 24.22 46.67 Favored Glycine 0 N--CA 1.452 -0.271 0 C-N-CA 120.796 -0.716 . . . . 0.0 113.222 176.831 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 90' ' ' ARG . . . . . 0.441 ' HG3' HG23 ' A' ' 88' ' ' THR . 99.0 mtt180 -98.59 -7.51 28.01 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-O 121.434 0.635 . . . . 0.0 109.96 177.041 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . -134.32 138.96 45.33 Favored 'General case' 0 C--N 1.323 -0.576 0 CA-C-N 115.158 -0.928 . . . . 0.0 108.766 173.887 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 78.7 tttt -93.27 -45.66 7.74 Favored 'General case' 0 C--N 1.323 -0.55 0 CA-C-O 121.231 0.539 . . . . 0.0 109.774 -176.182 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 93' ' ' TYR . . . . . . . . . . . . . 27.3 p90 -147.23 149.75 33.52 Favored 'General case' 0 C--N 1.324 -0.52 0 N-CA-C 108.744 -0.836 . . . . 0.0 108.744 174.41 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 94' ' ' ASN . . . . . 0.546 ' HB3' ' HB3' ' A' ' 82' ' ' PHE . 27.9 p-10 -106.72 136.78 19.37 Favored Pre-proline 0 C--N 1.321 -0.67 0 CA-C-O 121.026 0.441 . . . . 0.0 111.154 -176.91 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 95' ' ' PRO . . . . . 0.496 ' HD3' ' HA ' ' A' ' 94' ' ' ASN . 3.1 Cg_exo -76.52 34.09 0.43 Allowed 'Trans proline' 0 CA--C 1.531 0.369 0 C-N-CA 123.554 2.836 . . . . 0.0 112.789 -178.588 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 96' ' ' ALA . . . . . 0.564 ' N ' ' HD2' ' A' ' 97' ' ' PRO . . . -67.27 -45.3 49.9 Favored Pre-proline 0 C--N 1.327 -0.371 0 CA-C-N 116.388 -0.369 . . . . 0.0 111.47 178.763 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 97' ' ' PRO . . . . . 0.564 ' HD2' ' N ' ' A' ' 96' ' ' ALA . 14.8 Cg_endo -58.96 -40.99 66.24 Favored 'Trans proline' 0 C--N 1.356 0.943 0 C-N-CA 121.791 1.66 . . . . 0.0 111.596 173.245 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 3.5 m-20 -60.76 -41.04 94.67 Favored 'General case' 0 C--N 1.332 -0.186 0 CA-C-N 115.694 -0.684 . . . . 0.0 110.564 177.771 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 99' ' ' LEU . . . . . . . . . . . . . 3.3 tm? -54.5 -48.32 72.02 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.556 179.172 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 100' ' ' ALA . . . . . . . . . . . . . . . -67.66 -42.04 82.81 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 116.025 -0.534 . . . . 0.0 111.275 -177.787 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 6.1 t70 -70.12 -38.52 75.59 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-O 121.066 0.46 . . . . 0.0 110.424 -177.604 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -66.13 -35.6 80.91 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 115.921 -0.581 . . . . 0.0 110.745 177.574 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 103' ' ' MET . . . . . . . . . . . . . 53.3 ttm -58.05 -43.47 86.91 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-O 121.098 0.475 . . . . 0.0 110.353 175.569 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 104' ' ' LYS . . . . . . . . . . . . . 88.3 mttt . . . . . 0 C--N 1.327 -0.403 0 CA-C-N 115.853 -0.612 . . . . 0.0 110.413 177.693 . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 87.7 m-20 . . . . . 0 N--CA 1.455 -0.216 0 CA-C-O 120.667 0.27 . . . . 0.0 110.502 . . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 6' ' ' SER . . . . . 0.538 ' HA ' ' HA ' ' A' ' 46' ' ' GLU . 19.9 m -62.36 139.34 58.54 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.482 176.489 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 7' ' ' PHE . . . . . . . . . . . . . 35.9 t80 -59.64 -45.96 90.44 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.242 -175.047 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 27.0 t -61.65 -36.46 80.86 Favored 'General case' 0 C--N 1.33 -0.243 0 N-CA-C 111.394 0.146 . . . . 0.0 111.394 -178.56 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -63.61 -49.2 74.25 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 121.035 0.445 . . . . 0.0 110.642 179.082 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 62.7 mt -67.8 -37.72 78.99 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.417 0 CA-C-N 115.946 -0.57 . . . . 0.0 110.311 179.322 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 3.0 t80 -56.32 -43.37 78.92 Favored 'General case' 0 C--N 1.333 -0.136 0 CA-C-N 116.037 -0.529 . . . . 0.0 110.953 175.047 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 50.7 tptt -59.98 -47.75 84.54 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.559 -0.291 . . . . 0.0 110.583 -179.422 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 33.7 tt0 -66.49 -45.56 79.22 Favored 'General case' 0 CA--C 1.532 0.277 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.479 179.238 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 14' ' ' TRP . . . . . . . . . . . . . 61.2 t90 -57.77 -54.41 47.2 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 115.874 -0.603 . . . . 0.0 110.942 178.99 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 15' ' ' TYR . . . . . 0.632 ' CE1' ' HB2' ' A' ' 31' ' ' ALA . 23.2 t80 -57.32 -53.33 59.34 Favored 'General case' 0 C--O 1.224 -0.263 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.57 -177.675 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 41.1 tt0 -60.38 -32.13 71.01 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-O 120.901 0.381 . . . . 0.0 111.057 -175.023 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 17' ' ' HIS . . . . . . . . . . . . . 49.2 t60 -78.41 -43.28 27.8 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-N 116.335 -0.393 . . . . 0.0 110.796 179.317 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 12.6 tptm -77.31 -16.05 59.13 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-O 121.275 0.56 . . . . 0.0 110.276 -177.282 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 58.5 tttm -66.54 -17.74 64.98 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 115.607 -0.724 . . . . 0.0 110.556 175.841 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 96.0 mt-30 -75.4 -10.79 59.76 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 116.051 -0.522 . . . . 0.0 110.352 177.259 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 58.7 t -99.85 -40.7 8.72 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-N 115.984 -0.553 . . . . 0.0 110.73 179.655 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 22' ' ' TRP . . . . . . . . . . . . . 10.9 m0 -91.33 162.97 14.38 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 116.102 -0.499 . . . . 0.0 111.019 -178.135 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 16.2 m -77.45 153.94 33.06 Favored 'General case' 0 C--N 1.323 -0.547 0 N-CA-C 109.664 -0.495 . . . . 0.0 109.664 175.01 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 14.0 p -55.19 -38.7 48.1 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.328 0 N-CA-C 112.083 0.401 . . . . 0.0 112.083 -175.165 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -61.78 -61.2 7.0 Favored Glycine 0 C--N 1.332 0.309 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.249 -179.784 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 26' ' ' TYR . . . . . . . . . . . . . 89.1 t80 -59.05 -38.98 80.63 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-O 120.646 0.26 . . . . 0.0 110.928 179.274 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -61.97 -42.89 99.64 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.397 -0.365 . . . . 0.0 110.958 -179.507 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 90.7 m -63.25 -46.69 85.7 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-O 120.721 0.296 . . . . 0.0 111.288 179.96 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 54.0 mt-10 -67.06 -39.12 86.83 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.395 -0.366 . . . . 0.0 111.187 -178.567 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 10.5 tt -67.1 -42.44 84.56 Favored 'General case' 0 C--N 1.328 -0.36 0 N-CA-C 109.874 -0.417 . . . . 0.0 109.874 177.119 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 31' ' ' ALA . . . . . 0.632 ' HB2' ' CE1' ' A' ' 15' ' ' TYR . . . -60.68 -48.31 82.36 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 115.992 -0.549 . . . . 0.0 110.943 178.939 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 32' ' ' LYS . . . . . 0.603 ' HA ' ' HB3' ' A' ' 35' ' ' ASP . 54.3 tttp -73.22 -18.27 61.26 Favored 'General case' 0 N--CA 1.446 -0.636 0 C-N-CA 119.907 -0.717 . . . . 0.0 110.789 -177.381 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 33' ' ' MET . . . . . . . . . . . . . 62.3 ttp -62.82 -43.4 98.89 Favored 'General case' 0 C--N 1.326 -0.437 0 N-CA-C 108.738 -0.838 . . . . 0.0 108.738 172.521 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 34' ' ' PHE . . . . . 0.664 ' HA ' HD13 ' A' ' 38' ' ' ILE . 29.1 m-85 -69.35 -38.27 78.03 Favored 'General case' 0 C--O 1.222 -0.36 0 CA-C-N 115.697 -0.683 . . . . 0.0 110.751 174.126 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 35' ' ' ASP . . . . . 0.603 ' HB3' ' HA ' ' A' ' 32' ' ' LYS . 17.1 t70 -59.93 -66.56 0.5 Allowed 'General case' 0 C--N 1.32 -0.677 0 CA-C-N 116.381 -0.372 . . . . 0.0 111.255 178.078 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 20.9 t70 -71.87 -28.66 63.68 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 115.779 -0.646 . . . . 0.0 112.521 -168.12 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 47.5 m-20 -107.74 -43.63 4.43 Favored 'General case' 0 C--N 1.329 -0.296 0 N-CA-C 112.307 0.484 . . . . 0.0 112.307 -176.636 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 38' ' ' ILE . . . . . 0.664 HD13 ' HA ' ' A' ' 34' ' ' PHE . 1.8 mp -79.75 -43.3 22.97 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.375 0 N-CA-C 111.918 0.34 . . . . 0.0 111.918 -175.885 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 39' ' ' LEU . . . . . 0.562 ' N ' ' HD2' ' A' ' 40' ' ' PRO . 37.4 mt -65.99 -42.74 54.03 Favored Pre-proline 0 CA--C 1.535 0.392 0 N-CA-C 113.462 0.912 . . . . 0.0 113.462 -171.328 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 40' ' ' PRO . . . . . 0.562 ' HD2' ' N ' ' A' ' 39' ' ' LEU . 32.6 Cg_endo -63.91 -13.0 34.67 Favored 'Trans proline' 0 C--N 1.352 0.723 0 C-N-CA 121.807 1.671 . . . . 0.0 112.438 177.826 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 41' ' ' ILE . . . . . 0.53 HG22 HG23 ' A' ' 42' ' ' ILE . 33.0 mm -98.99 -67.75 0.92 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.386 0 CA-C-N 116.521 -0.309 . . . . 0.0 110.471 179.679 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 42' ' ' ILE . . . . . 0.53 HG23 HG22 ' A' ' 41' ' ' ILE . 17.3 pt -120.97 10.71 6.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 N-CA-C 112.027 0.38 . . . . 0.0 112.027 -174.382 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 43' ' ' GLY . . . . . 0.447 ' HA3' ' HA ' ' A' ' 39' ' ' LEU . . . -60.62 -36.33 91.31 Favored Glycine 0 N--CA 1.452 -0.26 0 C-N-CA 120.623 -0.799 . . . . 0.0 112.626 -176.256 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -97.87 20.14 51.81 Favored Glycine 0 N--CA 1.445 -0.765 0 C-N-CA 120.802 -0.713 . . . . 0.0 112.618 -178.916 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 45' ' ' LEU . . . . . 0.449 HD12 HG22 ' A' ' 42' ' ' ILE . 84.3 mt -107.1 158.59 16.96 Favored 'General case' 0 N--CA 1.454 -0.274 0 N-CA-C 110.102 -0.333 . . . . 0.0 110.102 177.777 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 46' ' ' GLU . . . . . 0.538 ' HA ' ' HA ' ' A' ' 6' ' ' SER . 47.9 mt-10 -80.52 140.49 35.83 Favored 'General case' 0 C--N 1.323 -0.549 0 N-CA-C 109.904 -0.406 . . . . 0.0 109.904 177.301 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 47' ' ' ILE . . . . . 0.401 HD11 ' HA ' ' A' ' 82' ' ' PHE . 15.0 tt -63.85 -20.92 27.56 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.633 0 CA-C-N 116.087 -0.506 . . . . 0.0 111.267 -175.614 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 98.1 mt-30 -89.16 -12.9 39.68 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.024 -0.534 . . . . 0.0 110.869 177.556 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 27.3 t70 -130.73 51.25 2.14 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-O 121.507 0.67 . . . . 0.0 111.045 -169.834 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 50' ' ' ILE . . . . . 0.519 HG13 ' O ' ' A' ' 46' ' ' GLU . 81.2 mt -108.7 129.18 63.66 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.701 0 CA-C-N 115.789 -0.641 . . . . 0.0 109.933 176.539 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 43.2 mt-10 -74.05 143.43 80.67 Favored Pre-proline 0 C--N 1.326 -0.456 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.058 179.663 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 52' ' ' PRO . . . . . . . . . . . . . 53.0 Cg_exo -55.68 -34.64 91.19 Favored 'Trans proline' 0 N--CA 1.462 -0.349 0 C-N-CA 122.53 2.153 . . . . 0.0 111.346 176.588 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 53' ' ' MET . . . . . . . . . . . . . 65.5 mtt -65.72 -33.04 74.95 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 115.819 -0.628 . . . . 0.0 111.08 179.231 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 82.6 mt-30 -79.74 -43.7 22.1 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.388 -0.369 . . . . 0.0 111.308 -177.493 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 55' ' ' LEU . . . . . 0.425 HD23 ' HB2' ' A' ' 99' ' ' LEU . 32.9 tp -64.06 -36.52 84.28 Favored 'General case' 0 C--N 1.323 -0.578 0 CA-C-O 121.532 0.682 . . . . 0.0 109.193 176.141 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 56' ' ' LEU . . . . . 0.757 HD11 ' HE ' ' A' ' 60' ' ' ARG . 2.3 tm? -71.77 -28.76 63.85 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-N 115.389 -0.823 . . . . 0.0 110.046 176.751 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 32.4 tt0 -70.52 -33.25 70.97 Favored 'General case' 0 C--O 1.222 -0.349 0 N-CA-C 109.892 -0.41 . . . . 0.0 109.892 177.481 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 58' ' ' VAL . . . . . 0.673 ' O ' ' HB3' ' A' ' 61' ' ' ARG . 53.1 t -58.9 -50.79 78.28 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 CA-C-O 121.561 0.696 . . . . 0.0 110.061 172.793 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 59' ' ' ILE . . . . . 0.56 HG23 ' HB1' ' A' ' 71' ' ' ALA . 1.6 mp -61.08 -40.68 86.53 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.693 0 CA-C-N 115.473 -0.785 . . . . 0.0 110.713 177.784 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 60' ' ' ARG . . . . . 0.757 ' HE ' HD11 ' A' ' 56' ' ' LEU . 0.0 OUTLIER -74.14 -17.71 60.89 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-O 120.813 0.339 . . . . 0.0 111.142 178.138 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 61' ' ' ARG . . . . . 0.673 ' HB3' ' O ' ' A' ' 58' ' ' VAL . 17.2 tpt180 -64.42 -41.0 96.84 Favored 'General case' 0 C--N 1.326 -0.455 0 N-CA-C 109.435 -0.58 . . . . 0.0 109.435 173.812 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 62' ' ' PHE . . . . . 0.406 ' HB3' ' HB3' ' A' ' 67' ' ' ALA . 97.0 m-85 -71.91 -31.45 66.39 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-N 115.686 -0.688 . . . . 0.0 110.489 173.562 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 63' ' ' GLU . . . . . 0.527 ' OE1' ' HD2' ' A' ' 60' ' ' ARG . 36.0 tt0 -65.19 -31.07 72.06 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 115.861 -0.609 . . . . 0.0 111.035 179.918 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 30.5 m-20 -55.96 -27.99 55.02 Favored 'General case' 0 N--CA 1.467 0.383 0 CA-C-N 116.572 -0.286 . . . . 0.0 111.157 176.328 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 66.3 mtm-85 -105.46 9.28 33.64 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-O 120.843 0.354 . . . . 0.0 110.815 -179.569 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 71.3 25.53 75.28 Favored Glycine 0 N--CA 1.45 -0.367 0 C-N-CA 121.15 -0.548 . . . . 0.0 112.753 179.276 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 67' ' ' ALA . . . . . 0.406 ' HB3' ' HB3' ' A' ' 62' ' ' PHE . . . -91.22 98.26 11.62 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-O 120.88 0.371 . . . . 0.0 110.999 -178.551 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 68' ' ' MET . . . . . 0.467 ' HA ' ' CE ' ' A' ' 68' ' ' MET . 11.2 mmt -80.04 -54.5 5.73 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 116.066 -0.515 . . . . 0.0 111.334 -176.412 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 69' ' ' GLU . . . . . 0.418 ' O ' ' HB2' ' A' ' 73' ' ' LYS . 1.7 mp0 -63.84 -35.95 82.32 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.563 -0.29 . . . . 0.0 110.508 179.507 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 3.9 ttt85 -70.0 -29.8 66.96 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 116.458 -0.337 . . . . 0.0 110.632 -178.828 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 71' ' ' ALA . . . . . 0.56 ' HB1' HG23 ' A' ' 59' ' ' ILE . . . -66.99 -46.12 75.53 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-O 121.187 0.518 . . . . 0.0 110.004 176.488 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 72' ' ' ASN . . . . . 0.419 ' HA ' ' HB3' ' A' ' 75' ' ' ARG . 49.1 m-80 -75.64 -19.93 58.85 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 115.891 -0.595 . . . . 0.0 110.378 178.067 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 73' ' ' LYS . . . . . 0.418 ' HB2' ' O ' ' A' ' 69' ' ' GLU . 24.1 tttp -66.01 -52.85 45.57 Favored 'General case' 0 C--N 1.326 -0.415 0 N-CA-C 108.932 -0.766 . . . . 0.0 108.932 173.967 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -58.39 -48.34 80.96 Favored 'General case' 0 C--O 1.223 -0.308 0 CA-C-N 115.616 -0.72 . . . . 0.0 109.798 174.959 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 75' ' ' ARG . . . . . 0.419 ' HB3' ' HA ' ' A' ' 72' ' ' ASN . 76.4 ttt180 -47.95 -49.77 29.28 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-N 115.304 -0.862 . . . . 0.0 111.893 178.112 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 38.4 ttp180 -81.69 -30.49 32.59 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-N 116.501 -0.318 . . . . 0.0 111.408 -174.14 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 77' ' ' ARG . . . . . 0.413 ' O ' HG23 ' A' ' 81' ' ' VAL . 35.7 mmt180 -76.25 -38.14 56.69 Favored 'General case' 0 C--N 1.327 -0.379 0 C-N-CA 121.072 -0.251 . . . . 0.0 110.984 178.84 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 78' ' ' CYS . . . . . . . . . . . . . 98.4 m -64.05 -42.88 96.88 Favored 'General case' 0 C--N 1.331 -0.239 0 N-CA-C 109.667 -0.494 . . . . 0.0 109.667 174.211 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . -55.36 -35.58 61.22 Favored Glycine 0 C--N 1.336 0.562 0 C-N-CA 121.009 -0.615 . . . . 0.0 111.909 173.919 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 40.7 tt0 -66.14 -41.75 90.03 Favored 'General case' 0 C--N 1.329 -0.284 0 N-CA-C 110.31 -0.255 . . . . 0.0 110.31 176.621 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 81' ' ' VAL . . . . . 0.413 HG23 ' O ' ' A' ' 77' ' ' ARG . 60.2 t -62.71 -42.92 97.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.306 -0.406 . . . . 0.0 110.653 177.112 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 82' ' ' PHE . . . . . 0.487 ' O ' HG13 ' A' ' 86' ' ' ILE . 59.5 m-85 -58.88 -46.79 86.99 Favored 'General case' 0 C--N 1.332 -0.193 0 CA-C-O 120.996 0.427 . . . . 0.0 110.295 175.111 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 83' ' ' ARG . . . . . 0.443 ' HA ' HD12 ' A' ' 86' ' ' ILE . 74.7 ttt180 -63.68 -39.28 93.93 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 115.704 -0.68 . . . . 0.0 110.4 179.526 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 84' ' ' TYR . . . . . . . . . . . . . 68.1 t80 -58.21 -43.01 87.46 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 115.715 -0.675 . . . . 0.0 109.906 176.654 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 85' ' ' ALA . . . . . 0.409 ' HA ' ' OG1' ' A' ' 88' ' ' THR . . . -65.89 -34.15 77.47 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 116.079 -0.509 . . . . 0.0 111.048 179.139 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 86' ' ' ILE . . . . . 0.559 ' HA ' ' O ' ' A' ' 91' ' ' ALA . 79.6 mt -64.74 -41.49 92.35 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 CA-C-O 121.213 0.53 . . . . 0.0 110.381 177.128 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 87' ' ' VAL . . . . . 0.436 HG23 ' O ' ' A' ' 83' ' ' ARG . 47.7 t -74.04 -32.04 31.88 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.387 0 CA-C-N 115.95 -0.568 . . . . 0.0 110.973 -179.87 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 88' ' ' THR . . . . . 0.409 ' OG1' ' HA ' ' A' ' 85' ' ' ALA . 19.8 p -87.93 2.64 51.1 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-O 120.773 0.321 . . . . 0.0 111.499 -178.797 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . 66.96 37.97 92.5 Favored Glycine 0 N--CA 1.453 -0.203 0 C-N-CA 121.017 -0.611 . . . . 0.0 112.676 178.007 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 90' ' ' ARG . . . . . 0.408 HH11 ' HD2' ' A' ' 90' ' ' ARG . 70.3 mtt180 -112.41 -15.75 13.05 Favored 'General case' 0 C--N 1.321 -0.645 0 CA-C-O 120.865 0.364 . . . . 0.0 110.471 178.147 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 91' ' ' ALA . . . . . 0.559 ' O ' ' HA ' ' A' ' 86' ' ' ILE . . . -155.74 169.27 24.75 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 115.841 -0.618 . . . . 0.0 110.04 -179.393 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 80.1 tttt -136.23 -64.84 0.59 Allowed 'General case' 0 C--N 1.322 -0.61 0 CA-C-N 116.301 -0.409 . . . . 0.0 110.112 176.873 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 93' ' ' TYR . . . . . . . . . . . . . 88.0 t80 -89.93 133.28 34.87 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.134 178.718 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 94' ' ' ASN . . . . . 0.464 ' HA ' ' HD3' ' A' ' 95' ' ' PRO . 26.5 p30 -114.41 148.75 40.89 Favored Pre-proline 0 C--N 1.319 -0.729 0 CA-C-N 115.75 -0.659 . . . . 0.0 110.248 178.822 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 95' ' ' PRO . . . . . 0.464 ' HD3' ' HA ' ' A' ' 94' ' ' ASN . 2.6 Cg_exo -77.78 28.53 0.45 Allowed 'Trans proline' 0 N--CA 1.464 -0.258 0 C-N-CA 123.061 2.507 . . . . 0.0 112.254 177.223 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 96' ' ' ALA . . . . . 0.515 ' N ' ' HD2' ' A' ' 97' ' ' PRO . . . -69.85 -47.9 22.76 Favored Pre-proline 0 CA--C 1.536 0.436 0 N-CA-C 111.626 0.232 . . . . 0.0 111.626 -179.353 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 97' ' ' PRO . . . . . 0.515 ' HD2' ' N ' ' A' ' 96' ' ' ALA . 19.2 Cg_endo -60.72 -32.83 93.5 Favored 'Trans proline' 0 C--N 1.357 1.023 0 C-N-CA 121.721 1.614 . . . . 0.0 111.537 173.816 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 23.9 m-20 -72.02 -36.47 69.71 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 115.753 -0.658 . . . . 0.0 110.225 177.697 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 99' ' ' LEU . . . . . 0.425 ' HB2' HD23 ' A' ' 55' ' ' LEU . 3.1 tm? -58.91 -44.68 91.29 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 115.802 -0.636 . . . . 0.0 109.993 176.601 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 100' ' ' ALA . . . . . . . . . . . . . . . -63.99 -41.15 97.6 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.727 179.803 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 32.1 t70 -68.44 -41.52 80.18 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.659 179.425 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -70.81 -17.95 62.75 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-O 121.032 0.444 . . . . 0.0 111.1 179.424 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 103' ' ' MET . . . . . . . . . . . . . 50.8 ttm -80.59 -50.38 10.06 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-O 120.926 0.393 . . . . 0.0 110.586 177.061 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 104' ' ' LYS . . . . . . . . . . . . . 62.6 tttm . . . . . 0 C--N 1.321 -0.663 0 CA-C-N 116.07 -0.514 . . . . 0.0 111.478 -176.31 . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 96.1 m-20 . . . . . 0 CA--C 1.521 -0.166 0 CA-C-O 120.805 0.336 . . . . 0.0 110.4 . . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 20.2 m -62.53 141.45 58.43 Favored 'General case' 0 C--O 1.239 0.525 0 CA-C-N 116.028 -0.533 . . . . 0.0 110.087 176.608 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 7' ' ' PHE . . . . . 0.587 ' HE1' ' HZ ' ' A' ' 34' ' ' PHE . 18.7 t80 -56.57 -44.79 81.33 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.113 -175.014 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 49.2 m -57.39 -35.0 69.46 Favored 'General case' 0 CA--C 1.532 0.273 0 N-CA-C 112.11 0.411 . . . . 0.0 112.11 -179.46 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -67.46 -54.88 16.43 Favored 'General case' 0 C--O 1.237 0.399 0 CA-C-O 121.124 0.488 . . . . 0.0 110.654 -178.488 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 59.2 mt -66.25 -31.88 55.59 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-N 115.7 -0.682 . . . . 0.0 110.27 179.762 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 7.3 t80 -56.22 -48.01 77.31 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 115.843 -0.617 . . . . 0.0 111.157 175.806 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 82.9 tttt -63.54 -41.42 98.46 Favored 'General case' 0 C--N 1.329 -0.295 0 C-N-CA 120.718 -0.393 . . . . 0.0 110.496 -179.113 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 39.7 tt0 -63.08 -49.36 74.82 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.131 178.625 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 14' ' ' TRP . . . . . . . . . . . . . 62.5 t90 -57.56 -48.16 80.08 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 115.811 -0.631 . . . . 0.0 110.563 176.847 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 15' ' ' TYR . . . . . 0.547 ' CE1' ' HB2' ' A' ' 31' ' ' ALA . 22.4 t80 -55.69 -52.45 63.82 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 115.922 -0.581 . . . . 0.0 111.222 178.618 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 1.2 tp10 -61.71 -34.63 76.14 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-O 120.975 0.417 . . . . 0.0 110.65 -176.122 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 17' ' ' HIS . . . . . . . . . . . . . 1.6 m80 -71.02 -47.77 56.78 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 115.954 -0.566 . . . . 0.0 110.72 179.324 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 13.8 mmmm -75.49 -14.09 60.41 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.453 -0.34 . . . . 0.0 111.107 -178.21 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 36.7 ttpt -67.35 -17.7 64.86 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 121.438 0.637 . . . . 0.0 110.35 177.776 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 97.3 mt-30 -88.43 -10.24 49.86 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 115.817 -0.628 . . . . 0.0 110.346 177.093 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 46.5 t -100.29 -41.06 8.8 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.393 0 CA-C-N 115.855 -0.612 . . . . 0.0 110.738 -177.985 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 22' ' ' TRP . . . . . . . . . . . . . 12.4 m0 -92.5 165.42 13.03 Favored 'General case' 0 C--N 1.323 -0.565 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.488 179.775 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 15.1 p -68.4 136.58 53.54 Favored 'General case' 0 C--N 1.322 -0.599 0 N-CA-C 109.406 -0.59 . . . . 0.0 109.406 173.621 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 71.8 t -55.71 -38.68 51.82 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.413 0 N-CA-C 111.913 0.338 . . . . 0.0 111.913 -176.171 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -58.78 -50.08 71.06 Favored Glycine 0 N--CA 1.452 -0.256 0 C-N-CA 120.633 -0.794 . . . . 0.0 111.736 177.633 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 26' ' ' TYR . . . . . . . . . . . . . 48.7 t80 -70.19 -39.18 75.36 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-O 120.516 0.198 . . . . 0.0 110.822 179.413 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -60.96 -39.93 91.44 Favored 'General case' 0 C--N 1.332 -0.174 0 CA-C-O 120.829 0.347 . . . . 0.0 111.041 -178.9 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 50.1 m -67.57 -44.85 77.19 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 116.337 -0.392 . . . . 0.0 111.044 179.998 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 41.5 mt-10 -65.42 -44.41 87.48 Favored 'General case' 0 C--N 1.331 -0.196 0 CA-C-O 120.612 0.244 . . . . 0.0 110.732 177.778 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 9.7 tt -57.61 -40.87 80.09 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.309 177.736 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 31' ' ' ALA . . . . . 0.547 ' HB2' ' CE1' ' A' ' 15' ' ' TYR . . . -66.22 -55.63 15.26 Favored 'General case' 0 C--O 1.221 -0.44 0 CA-C-N 115.846 -0.615 . . . . 0.0 111.438 -179.787 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 32' ' ' LYS . . . . . 0.527 ' HA ' ' HB2' ' A' ' 35' ' ' ASP . 45.8 tttm -64.41 -28.25 69.55 Favored 'General case' 0 C--N 1.328 -0.331 0 C-N-CA 120.611 -0.436 . . . . 0.0 110.865 -175.741 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 33' ' ' MET . . . . . . . . . . . . . 8.2 tmm? -67.88 -45.53 74.22 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 121.086 0.469 . . . . 0.0 109.791 174.638 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 34' ' ' PHE . . . . . 0.587 ' HZ ' ' HE1' ' A' ' 7' ' ' PHE . 8.3 t80 -61.11 -44.11 97.85 Favored 'General case' 0 C--N 1.329 -0.315 0 N-CA-C 109.11 -0.7 . . . . 0.0 109.11 175.127 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 35' ' ' ASP . . . . . 0.527 ' HB2' ' HA ' ' A' ' 32' ' ' LYS . 0.3 OUTLIER -50.94 -66.81 0.32 Allowed 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 114.92 -1.036 . . . . 0.0 112.294 178.5 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 37.8 t70 -73.06 -25.85 61.06 Favored 'General case' 0 C--N 1.325 -0.471 0 N-CA-C 112.853 0.686 . . . . 0.0 112.853 -168.123 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 37' ' ' ASP . . . . . 0.409 ' HB3' ' HG2' ' A' ' 61' ' ' ARG . 22.8 m-20 -99.86 -38.55 8.59 Favored 'General case' 0 C--N 1.322 -0.597 0 N-CA-C 112.398 0.518 . . . . 0.0 112.398 -176.176 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 38' ' ' ILE . . . . . 0.571 HD12 ' CD2' ' A' ' 34' ' ' PHE . 16.2 mt -97.26 -39.12 8.51 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.514 0 N-CA-C 112.35 0.5 . . . . 0.0 112.35 -171.407 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 39' ' ' LEU . . . . . 0.558 ' N ' ' HD2' ' A' ' 40' ' ' PRO . 40.2 mt -63.36 -41.09 65.57 Favored Pre-proline 0 CA--C 1.539 0.535 0 N-CA-C 113.288 0.848 . . . . 0.0 113.288 -175.105 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 40' ' ' PRO . . . . . 0.558 ' HD2' ' N ' ' A' ' 39' ' ' LEU . 34.2 Cg_endo -65.14 -9.42 21.73 Favored 'Trans proline' 0 C--N 1.355 0.902 0 C-N-CA 121.632 1.555 . . . . 0.0 112.581 176.868 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 41.7 mm -100.25 -60.75 2.63 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.421 0 CA-C-N 116.417 -0.356 . . . . 0.0 111.22 -178.276 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 42' ' ' ILE . . . . . 0.436 ' HA ' HD12 ' A' ' 45' ' ' LEU . 11.6 pt -120.69 7.68 6.24 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 N-CA-C 112.21 0.448 . . . . 0.0 112.21 -176.388 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -62.8 -33.18 86.21 Favored Glycine 0 N--CA 1.452 -0.27 0 C-N-CA 120.627 -0.797 . . . . 0.0 112.569 -176.316 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -93.41 8.93 74.83 Favored Glycine 0 N--CA 1.448 -0.537 0 C-N-CA 120.839 -0.696 . . . . 0.0 112.472 -178.962 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 45' ' ' LEU . . . . . 0.494 HD11 ' HG2' ' A' ' 54' ' ' GLN . 68.7 mt -96.84 139.77 32.39 Favored 'General case' 0 N--CA 1.451 -0.399 0 N-CA-C 109.966 -0.383 . . . . 0.0 109.966 178.53 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 46' ' ' GLU . . . . . 0.447 ' O ' HG13 ' A' ' 50' ' ' ILE . 4.4 mp0 -67.3 133.56 49.91 Favored 'General case' 0 C--N 1.323 -0.585 0 N-CA-C 109.219 -0.659 . . . . 0.0 109.219 174.504 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 47' ' ' ILE . . . . . 0.44 HD13 ' CB ' ' A' ' 85' ' ' ALA . 19.3 tt -58.96 -23.19 23.41 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.612 0 N-CA-C 112.309 0.485 . . . . 0.0 112.309 -171.965 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 63.5 tt0 -91.27 -17.45 25.96 Favored 'General case' 0 C--N 1.323 -0.565 0 CA-C-O 121.124 0.488 . . . . 0.0 111.068 -178.248 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 9.9 m-20 -130.93 76.6 1.73 Allowed 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 116.079 -0.509 . . . . 0.0 110.377 -177.806 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 50' ' ' ILE . . . . . 0.447 HG13 ' O ' ' A' ' 46' ' ' GLU . 59.4 mt -117.14 136.59 53.82 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.555 0 CA-C-N 115.995 -0.548 . . . . 0.0 110.926 -178.75 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 51' ' ' GLU . . . . . 0.476 ' HA ' ' HD2' ' A' ' 52' ' ' PRO . 10.6 tp10 -66.2 118.27 51.23 Favored Pre-proline 0 C--N 1.325 -0.467 0 CA-C-N 115.357 -0.838 . . . . 0.0 110.297 176.613 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 52' ' ' PRO . . . . . 0.476 ' HD2' ' HA ' ' A' ' 51' ' ' GLU . 9.5 Cg_endo -53.54 -41.12 75.98 Favored 'Trans proline' 0 C--N 1.346 0.421 0 C-N-CA 123.41 2.74 . . . . 0.0 113.156 -178.791 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 53' ' ' MET . . . . . . . . . . . . . 52.3 mtm -75.62 -15.29 60.36 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-O 121.043 0.449 . . . . 0.0 110.619 -179.267 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 54' ' ' GLN . . . . . 0.494 ' HG2' HD11 ' A' ' 45' ' ' LEU . 41.0 tp60 -80.47 -37.25 32.21 Favored 'General case' 0 C--N 1.326 -0.445 0 N-CA-C 108.98 -0.748 . . . . 0.0 108.98 178.828 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 55' ' ' LEU . . . . . 0.443 ' O ' ' HB ' ' A' ' 58' ' ' VAL . 26.1 tp -65.83 -35.57 81.06 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 115.549 -0.75 . . . . 0.0 109.485 175.577 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 2.9 tm? -67.2 -31.67 72.22 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 115.765 -0.652 . . . . 0.0 109.636 175.144 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 22.2 tt0 -65.82 -27.37 68.2 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.16 177.496 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 58' ' ' VAL . . . . . 0.558 HG13 HG12 ' A' ' 38' ' ' ILE . 54.8 t -65.44 -52.51 50.65 Favored 'Isoleucine or valine' 0 C--O 1.236 0.374 0 CA-C-O 121.268 0.556 . . . . 0.0 110.304 171.21 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 59' ' ' ILE . . . . . . . . . . . . . 1.8 mp -56.15 -41.51 69.66 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.419 0 CA-C-N 115.885 -0.598 . . . . 0.0 110.093 176.934 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 6.1 ttt180 -76.77 -20.39 56.5 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.91 -178.472 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 61' ' ' ARG . . . . . 0.553 ' HB3' ' O ' ' A' ' 58' ' ' VAL . 0.3 OUTLIER -58.25 -43.79 88.0 Favored 'General case' 0 C--N 1.33 -0.274 0 N-CA-C 109.116 -0.698 . . . . 0.0 109.116 172.457 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 62' ' ' PHE . . . . . . . . . . . . . 96.7 m-85 -77.61 -19.0 56.24 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-N 115.369 -0.832 . . . . 0.0 111.492 177.596 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 37.7 tt0 -69.59 -39.16 77.44 Favored 'General case' 0 C--N 1.327 -0.389 0 N-CA-C 109.735 -0.469 . . . . 0.0 109.735 176.939 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 45.4 m-20 -57.73 -34.32 69.39 Favored 'General case' 0 N--CA 1.467 0.387 0 CA-C-O 121.177 0.513 . . . . 0.0 110.278 174.01 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 58.0 mtp85 -86.17 -1.0 57.02 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 115.655 -0.702 . . . . 0.0 111.08 -176.5 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 64.49 40.76 97.95 Favored Glycine 0 N--CA 1.447 -0.572 0 C-N-CA 121.072 -0.585 . . . . 0.0 112.078 -178.904 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -127.83 89.27 2.91 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-O 120.801 0.334 . . . . 0.0 110.953 179.687 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 68' ' ' MET . . . . . 0.536 ' HA ' ' CE ' ' A' ' 68' ' ' MET . 14.0 mmt -73.4 -33.92 65.24 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-O 121.083 0.468 . . . . 0.0 109.939 178.942 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 34.0 mt-10 -60.2 -50.63 72.91 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 115.528 -0.76 . . . . 0.0 110.182 177.034 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 81.3 mtt180 -68.81 -26.5 65.22 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 115.883 -0.599 . . . . 0.0 110.604 -179.579 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -69.18 -41.48 77.11 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 121.102 0.477 . . . . 0.0 110.204 176.258 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 72' ' ' ASN . . . . . . . . . . . . . 83.3 m-20 -64.0 -42.83 97.04 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 115.858 -0.61 . . . . 0.0 110.154 175.063 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 1.6 mptm? -64.33 -33.42 75.8 Favored 'General case' 0 C--N 1.332 -0.167 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.717 176.354 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -60.54 -53.64 55.02 Favored 'General case' 0 C--N 1.331 -0.235 0 N-CA-C 110.287 -0.264 . . . . 0.0 110.287 175.293 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 26.2 ttm105 -54.4 -47.41 72.78 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 115.915 -0.584 . . . . 0.0 110.78 177.005 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 18.2 ttt180 -59.21 -53.48 57.75 Favored 'General case' 0 C--N 1.332 -0.188 0 CA-C-N 115.885 -0.598 . . . . 0.0 111.414 -179.05 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 77' ' ' ARG . . . . . 0.545 ' O ' HG23 ' A' ' 81' ' ' VAL . 87.3 mtm180 -59.01 -39.47 81.97 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.396 -0.366 . . . . 0.0 111.324 -177.18 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 78' ' ' CYS . . . . . . . . . . . . . 83.8 m -60.33 -48.96 79.52 Favored 'General case' 0 C--N 1.328 -0.368 0 N-CA-C 109.672 -0.492 . . . . 0.0 109.672 175.748 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . -58.71 -37.49 89.86 Favored Glycine 0 C--N 1.334 0.469 0 C-N-CA 121.247 -0.502 . . . . 0.0 112.458 177.14 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 43.0 mt-10 -61.25 -50.37 73.32 Favored 'General case' 0 C--N 1.333 -0.138 0 CA-C-N 116.699 0.249 . . . . 0.0 110.492 175.869 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 81' ' ' VAL . . . . . 0.545 HG23 ' O ' ' A' ' 77' ' ' ARG . 47.4 t -61.28 -43.32 96.31 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.253 0 CA-C-N 116.292 -0.413 . . . . 0.0 110.422 178.959 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 82' ' ' PHE . . . . . 0.644 ' HB3' ' HB3' ' A' ' 94' ' ' ASN . 19.3 m-85 -55.8 -52.79 62.76 Favored 'General case' 0 N--CA 1.462 0.152 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.788 176.542 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 83' ' ' ARG . . . . . 0.481 ' O ' HG23 ' A' ' 87' ' ' VAL . 23.4 ttm-85 -62.6 -41.34 98.92 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.669 -178.453 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 84' ' ' TYR . . . . . 0.453 ' O ' HG22 ' A' ' 88' ' ' THR . 71.2 t80 -57.37 -43.82 83.9 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.016 -0.538 . . . . 0.0 110.238 177.557 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 85' ' ' ALA . . . . . 0.443 ' HA ' HG22 ' A' ' 88' ' ' THR . . . -69.31 -33.47 73.22 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 115.905 -0.589 . . . . 0.0 111.269 179.25 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 86' ' ' ILE . . . . . 0.586 ' HA ' ' O ' ' A' ' 91' ' ' ALA . 75.8 mt -62.43 -45.19 99.38 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.388 0 CA-C-O 120.773 0.321 . . . . 0.0 110.523 177.505 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 87' ' ' VAL . . . . . 0.481 HG23 ' O ' ' A' ' 83' ' ' ARG . 47.9 t -64.18 -41.32 92.07 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.35 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.335 -178.728 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 88' ' ' THR . . . . . 0.501 HG23 ' HG3' ' A' ' 90' ' ' ARG . 7.8 t -81.09 -9.55 59.8 Favored 'General case' 0 CA--C 1.538 0.484 0 CA-C-O 120.927 0.394 . . . . 0.0 111.303 -178.988 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . 87.12 24.71 36.37 Favored Glycine 0 CA--C 1.52 0.352 0 C-N-CA 120.656 -0.783 . . . . 0.0 113.446 175.424 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 90' ' ' ARG . . . . . 0.501 ' HG3' HG23 ' A' ' 88' ' ' THR . 50.8 mtt180 -102.85 -5.79 23.21 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-O 121.422 0.63 . . . . 0.0 109.845 177.637 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 91' ' ' ALA . . . . . 0.586 ' O ' ' HA ' ' A' ' 86' ' ' ILE . . . -150.25 164.01 36.8 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-N 115.151 -0.931 . . . . 0.0 108.768 175.431 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 66.7 mttm -136.17 -45.62 0.63 Allowed 'General case' 0 C--N 1.326 -0.447 0 CA-C-O 120.751 0.31 . . . . 0.0 110.923 -178.25 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 93' ' ' TYR . . . . . . . . . . . . . 81.4 t80 -117.7 127.76 54.24 Favored 'General case' 0 C--N 1.323 -0.562 0 N-CA-C 110.019 -0.363 . . . . 0.0 110.019 175.329 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 94' ' ' ASN . . . . . 0.644 ' HB3' ' HB3' ' A' ' 82' ' ' PHE . 0.3 OUTLIER -100.5 134.49 20.62 Favored Pre-proline 0 C--N 1.326 -0.438 0 CA-C-N 116.464 -0.334 . . . . 0.0 111.082 178.801 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 95' ' ' PRO . . . . . 0.496 ' HD3' ' HA ' ' A' ' 94' ' ' ASN . 6.9 Cg_exo -74.92 36.63 0.44 Allowed 'Trans proline' 0 CA--C 1.532 0.39 0 C-N-CA 123.448 2.765 . . . . 0.0 112.914 -179.333 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 96' ' ' ALA . . . . . 0.483 ' N ' ' HD2' ' A' ' 97' ' ' PRO . . . -68.77 -49.63 27.08 Favored Pre-proline 0 C--N 1.325 -0.464 0 CA-C-N 116.509 -0.314 . . . . 0.0 111.417 179.152 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 97' ' ' PRO . . . . . 0.483 ' HD2' ' N ' ' A' ' 96' ' ' ALA . 33.8 Cg_endo -66.1 -29.7 47.82 Favored 'Trans proline' 0 C--N 1.356 0.939 0 C-N-CA 121.724 1.616 . . . . 0.0 111.686 174.522 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 4.5 m-20 -67.19 -39.91 86.46 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 115.868 -0.605 . . . . 0.0 109.89 177.382 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 99' ' ' LEU . . . . . 0.418 ' HB2' HD23 ' A' ' 55' ' ' LEU . 3.2 tm? -54.5 -46.11 73.41 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 115.641 -0.709 . . . . 0.0 109.858 174.862 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 100' ' ' ALA . . . . . . . . . . . . . . . -65.09 -43.33 92.47 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 115.863 -0.608 . . . . 0.0 111.421 -178.937 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 101' ' ' ASP . . . . . 0.526 ' HA ' ' HD2' ' A' ' 104' ' ' LYS . 20.3 t70 -71.06 -37.25 72.51 Favored 'General case' 0 C--O 1.234 0.26 0 CA-C-O 120.881 0.372 . . . . 0.0 110.665 -177.985 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -64.39 -41.98 96.38 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 115.97 -0.559 . . . . 0.0 110.298 176.72 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 103' ' ' MET . . . . . . . . . . . . . 59.3 ttm -59.25 -37.46 77.64 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.006 -0.543 . . . . 0.0 110.444 176.891 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 104' ' ' LYS . . . . . 0.526 ' HD2' ' HA ' ' A' ' 101' ' ' ASP . 61.3 mttm . . . . . 0 C--N 1.328 -0.331 0 CA-C-N 115.959 -0.564 . . . . 0.0 111.07 177.338 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 5.0 m-20 . . . . . 0 C--O 1.234 0.24 0 CA-C-O 120.768 0.318 . . . . 0.0 111.415 . . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 6' ' ' SER . . . . . 0.562 ' HA ' ' HA ' ' A' ' 46' ' ' GLU . 69.5 m -71.24 156.55 39.41 Favored 'General case' 0 C--N 1.33 -0.282 0 N-CA-C 109.899 -0.408 . . . . 0.0 109.899 173.408 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 7' ' ' PHE . . . . . . . . . . . . . 26.9 t80 -59.12 -50.3 74.58 Favored 'General case' 0 C--N 1.329 -0.303 0 N-CA-C 111.766 0.284 . . . . 0.0 111.766 -172.777 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 69.1 m -55.07 -40.1 69.97 Favored 'General case' 0 N--CA 1.467 0.385 0 N-CA-C 111.894 0.331 . . . . 0.0 111.894 -179.508 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -65.82 -50.53 64.29 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.989 0.423 . . . . 0.0 111.004 -177.881 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 10' ' ' ILE . . . . . 0.5 HG12 ' HD3' ' A' ' 90' ' ' ARG . 55.9 mt -70.21 -38.04 73.37 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 CA-C-N 115.896 -0.593 . . . . 0.0 110.655 -179.153 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 11' ' ' TYR . . . . . 0.563 ' OH ' ' HA ' ' A' ' 31' ' ' ALA . 51.6 t80 -56.83 -43.29 80.9 Favored 'General case' 0 C--O 1.223 -0.33 0 CA-C-N 116.058 -0.519 . . . . 0.0 110.393 175.262 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 81.9 tttt -70.15 -36.57 74.83 Favored 'General case' 0 C--N 1.325 -0.478 0 C-N-CA 120.979 -0.288 . . . . 0.0 110.787 -177.75 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 41.6 tt0 -64.12 -42.87 96.68 Favored 'General case' 0 C--O 1.234 0.266 0 N-CA-C 109.508 -0.553 . . . . 0.0 109.508 176.04 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 14' ' ' TRP . . . . . . . . . . . . . 58.4 t90 -64.96 -49.39 70.49 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 115.601 -0.727 . . . . 0.0 110.711 175.727 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 15' ' ' TYR . . . . . . . . . . . . . 6.8 t80 -55.81 -48.36 75.56 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 115.985 -0.552 . . . . 0.0 111.268 178.514 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 16' ' ' GLU . . . . . 0.404 ' O ' ' HG3' ' A' ' 20' ' ' GLN . 28.9 tt0 -65.26 -33.45 76.03 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-O 121.009 0.433 . . . . 0.0 110.602 -177.116 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 17' ' ' HIS . . . . . . . . . . . . . 35.7 t60 -74.42 -40.4 62.02 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 115.747 -0.661 . . . . 0.0 110.435 178.727 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 29.5 mmtm -72.02 -28.51 63.43 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.15 177.922 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 37.0 ttpt -67.3 -15.27 63.59 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-O 121.109 0.48 . . . . 0.0 110.532 176.903 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 20' ' ' GLN . . . . . 0.404 ' HG3' ' O ' ' A' ' 16' ' ' GLU . 95.8 mt-30 -78.52 -8.68 58.82 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.098 -0.501 . . . . 0.0 109.923 175.783 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 79.3 t -113.8 -41.98 3.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 115.839 -0.619 . . . . 0.0 110.686 179.479 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 22' ' ' TRP . . . . . . . . . . . . . 30.7 m0 -78.59 168.45 19.75 Favored 'General case' 0 C--N 1.324 -0.524 0 CA-C-N 116.007 -0.542 . . . . 0.0 111.275 -179.23 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 40.2 m -77.08 151.44 35.47 Favored 'General case' 0 C--N 1.323 -0.565 0 N-CA-C 109.091 -0.707 . . . . 0.0 109.091 171.669 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 14.6 p -60.21 -37.35 73.17 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.423 0 CA-C-O 120.545 0.212 . . . . 0.0 111.188 -175.839 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -66.76 -44.72 88.69 Favored Glycine 0 N--CA 1.447 -0.599 0 C-N-CA 120.919 -0.658 . . . . 0.0 111.785 179.354 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 26' ' ' TYR . . . . . . . . . . . . . 88.6 t80 -67.17 -41.7 85.52 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-O 120.635 0.255 . . . . 0.0 110.509 179.623 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -64.52 -43.9 92.56 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 116.289 -0.414 . . . . 0.0 110.799 -179.313 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 51.7 m -66.66 -45.82 77.68 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.836 179.243 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 15.0 tp10 -63.05 -35.62 80.85 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-O 120.962 0.411 . . . . 0.0 110.534 -179.185 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 9.8 tt -68.01 -51.37 47.84 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-N 115.99 -0.55 . . . . 0.0 110.272 177.64 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 31' ' ' ALA . . . . . 0.563 ' HA ' ' OH ' ' A' ' 11' ' ' TYR . . . -63.22 -33.82 76.32 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.553 -179.571 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 87.0 tttt -62.38 -51.85 65.95 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-N 115.865 -0.607 . . . . 0.0 110.358 175.017 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 33' ' ' MET . . . . . . . . . . . . . 56.1 ttp -56.15 -50.3 71.51 Favored 'General case' 0 C--O 1.235 0.329 0 CA-C-N 115.716 -0.675 . . . . 0.0 110.727 177.658 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 34' ' ' PHE . . . . . 0.495 ' O ' ' HB ' ' A' ' 38' ' ' ILE . 4.1 t80 -60.17 -45.92 91.46 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-N 115.103 -0.953 . . . . 0.0 110.378 -179.108 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 35' ' ' ASP . . . . . 0.575 ' HA ' ' HB2' ' A' ' 39' ' ' LEU . 20.1 t70 -64.42 -50.36 67.89 Favored 'General case' 0 C--N 1.321 -0.634 0 CA-C-N 116.356 -0.384 . . . . 0.0 111.777 -177.59 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 8.3 m-20 -62.73 -38.96 92.54 Favored 'General case' 0 C--N 1.325 -0.462 0 N-CA-C 113.092 0.775 . . . . 0.0 113.092 -174.073 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 2.3 m-20 -106.99 -18.51 13.89 Favored 'General case' 0 C--N 1.328 -0.365 0 N-CA-C 113.24 0.83 . . . . 0.0 113.24 -173.029 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 38' ' ' ILE . . . . . 0.563 HG12 HG13 ' A' ' 58' ' ' VAL . 13.2 mt -110.37 -37.5 3.12 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.436 0 O-C-N 122.117 -0.364 . . . . 0.0 111.927 -174.363 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 39' ' ' LEU . . . . . 0.575 ' HB2' ' HA ' ' A' ' 35' ' ' ASP . 0.2 OUTLIER -59.47 -47.76 97.21 Favored Pre-proline 0 CA--C 1.539 0.537 0 N-CA-C 112.417 0.525 . . . . 0.0 112.417 -174.038 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 40' ' ' PRO . . . . . 0.517 ' HD2' ' N ' ' A' ' 39' ' ' LEU . 32.8 Cg_endo -64.58 -8.3 16.91 Favored 'Trans proline' 0 C--N 1.354 0.867 0 C-N-CA 121.982 1.788 . . . . 0.0 113.222 179.181 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 41' ' ' ILE . . . . . 0.461 HG22 HG23 ' A' ' 42' ' ' ILE . 49.0 mt -101.62 -55.04 6.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.693 -0.231 . . . . 0.0 111.594 -177.096 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 42' ' ' ILE . . . . . 0.461 HG23 HG22 ' A' ' 41' ' ' ILE . 9.1 pt -127.68 3.23 3.4 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.256 0 N-CA-C 112.459 0.54 . . . . 0.0 112.459 -177.458 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 43' ' ' GLY . . . . . 0.514 ' HA3' HD13 ' A' ' 39' ' ' LEU . . . -59.8 -41.53 97.66 Favored Glycine 0 N--CA 1.452 -0.293 0 C-N-CA 120.536 -0.84 . . . . 0.0 112.433 -176.103 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -85.12 7.85 73.36 Favored Glycine 0 N--CA 1.446 -0.642 0 C-N-CA 120.824 -0.703 . . . . 0.0 113.081 -179.391 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 45' ' ' LEU . . . . . 0.404 HD11 ' HG2' ' A' ' 54' ' ' GLN . 91.6 mt -93.38 169.07 10.64 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 117.36 0.58 . . . . 0.0 110.312 179.652 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 46' ' ' GLU . . . . . 0.562 ' HA ' ' HA ' ' A' ' 6' ' ' SER . 46.5 mt-10 -91.86 142.35 27.67 Favored 'General case' 0 C--N 1.321 -0.637 0 N-CA-C 109.287 -0.635 . . . . 0.0 109.287 177.562 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 47' ' ' ILE . . . . . 0.443 HD13 ' HB2' ' A' ' 85' ' ' ALA . 12.4 tt -69.24 -14.98 19.11 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.554 0 CA-C-O 121.219 0.533 . . . . 0.0 110.755 -176.259 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 69.0 mt-30 -92.67 -8.8 43.0 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 115.888 -0.596 . . . . 0.0 109.97 177.68 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 37.8 t70 -138.51 78.85 1.7 Allowed 'General case' 0 C--N 1.326 -0.429 0 CA-C-O 121.204 0.526 . . . . 0.0 110.808 -173.908 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 50' ' ' ILE . . . . . . . . . . . . . 42.7 mt -131.53 118.14 38.18 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 CA-C-N 115.741 -0.663 . . . . 0.0 110.035 176.135 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 51' ' ' GLU . . . . . 0.499 ' HG3' ' HB2' ' A' ' 54' ' ' GLN . 5.4 pt-20 -75.2 140.36 73.03 Favored Pre-proline 0 C--N 1.315 -0.9 0 CA-C-N 115.357 -0.838 . . . . 0.0 110.39 -179.851 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 52' ' ' PRO . . . . . 0.802 ' HB3' ' HB3' ' A' ' 98' ' ' ASP . 10.1 Cg_endo -52.4 -40.27 71.51 Favored 'Trans proline' 0 C--N 1.344 0.317 0 C-N-CA 123.217 2.611 . . . . 0.0 113.048 -176.202 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 53' ' ' MET . . . . . . . . . . . . . 84.4 mmm -63.98 -32.19 73.64 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.723 0.297 . . . . 0.0 111.314 -179.522 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 54' ' ' GLN . . . . . 0.499 ' HB2' ' HG3' ' A' ' 51' ' ' GLU . 38.3 tp60 -77.54 -39.2 46.78 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-O 121.4 0.619 . . . . 0.0 109.671 -178.248 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 55' ' ' LEU . . . . . 0.652 HD23 ' HB2' ' A' ' 99' ' ' LEU . 25.6 tp -69.03 -38.41 79.15 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 115.711 -0.677 . . . . 0.0 110.056 178.61 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 56' ' ' LEU . . . . . 0.498 HD22 ' HB ' ' A' ' 59' ' ' ILE . 2.2 tm? -70.86 -28.19 64.39 Favored 'General case' 0 C--N 1.328 -0.328 0 N-CA-C 109.785 -0.45 . . . . 0.0 109.785 175.814 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 9.0 tp10 -58.83 -39.26 80.68 Favored 'General case' 0 C--N 1.327 -0.388 0 N-CA-C 109.433 -0.58 . . . . 0.0 109.433 176.553 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 58' ' ' VAL . . . . . 0.635 ' O ' ' HB3' ' A' ' 61' ' ' ARG . 56.1 t -60.11 -55.3 25.06 Favored 'Isoleucine or valine' 0 C--O 1.236 0.383 0 CA-C-O 121.487 0.661 . . . . 0.0 111.127 172.986 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 59' ' ' ILE . . . . . 0.498 ' HB ' HD22 ' A' ' 56' ' ' LEU . 50.8 mm -58.03 -48.07 85.18 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.557 0 CA-C-N 115.438 -0.801 . . . . 0.0 110.901 -177.971 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 60' ' ' ARG . . . . . 0.455 HH11 ' HD2' ' A' ' 60' ' ' ARG . 22.9 ttp85 -68.11 -29.04 67.87 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 115.501 -0.772 . . . . 0.0 110.547 -178.573 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 61' ' ' ARG . . . . . 0.635 ' HB3' ' O ' ' A' ' 58' ' ' VAL . 7.4 tpt180 -53.38 -45.48 69.28 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.164 -0.471 . . . . 0.0 109.885 173.921 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 62' ' ' PHE . . . . . . . . . . . . . 80.2 m-85 -68.97 -32.97 72.93 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 116.26 -0.427 . . . . 0.0 111.412 176.825 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 44.0 mt-10 -68.86 -39.16 80.02 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.695 -0.229 . . . . 0.0 110.951 178.823 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 2.0 m-20 -59.47 -31.17 69.09 Favored 'General case' 0 N--CA 1.464 0.254 0 CA-C-O 120.96 0.41 . . . . 0.0 110.504 174.08 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 65' ' ' ARG . . . . . 0.632 ' HG2' ' O ' ' A' ' 61' ' ' ARG . 36.4 mmm-85 -75.86 -25.51 56.25 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 115.735 -0.666 . . . . 0.0 110.366 178.29 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 90.87 8.3 65.3 Favored Glycine 0 N--CA 1.447 -0.604 0 N-CA-C 111.011 -0.836 . . . . 0.0 111.011 -174.53 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -90.19 82.97 5.98 Favored 'General case' 0 N--CA 1.448 -0.531 0 CA-C-O 120.978 0.418 . . . . 0.0 110.28 -179.261 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 68' ' ' MET . . . . . . . . . . . . . 33.0 mmm -69.72 -32.93 71.77 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 115.9 -0.591 . . . . 0.0 110.748 -174.082 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 40.8 mt-10 -63.43 -48.35 78.12 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-O 121.204 0.526 . . . . 0.0 109.806 177.277 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 39.1 mtt180 -70.63 -32.26 69.51 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-N 115.436 -0.802 . . . . 0.0 110.71 -175.297 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -62.04 -44.72 96.09 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-O 121.092 0.473 . . . . 0.0 110.549 176.34 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 72' ' ' ASN . . . . . . . . . . . . . 28.8 m-80 -72.49 -38.92 68.02 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 116.002 -0.545 . . . . 0.0 110.779 178.293 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 92.3 mttt -60.31 -40.78 91.76 Favored 'General case' 0 C--O 1.236 0.357 0 CA-C-N 116.353 -0.385 . . . . 0.0 110.775 177.353 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -58.02 -51.73 68.47 Favored 'General case' 0 N--CA 1.454 -0.255 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.108 176.63 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 75' ' ' ARG . . . . . 0.582 ' HE ' ' HE1' ' A' ' 103' ' ' MET . 33.6 ttm180 -56.36 -49.42 74.47 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 115.792 -0.64 . . . . 0.0 111.018 -178.289 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 85.0 mtt180 -61.17 -52.04 66.49 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 115.801 -0.636 . . . . 0.0 111.664 -176.627 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 77' ' ' ARG . . . . . 0.56 ' O ' HG23 ' A' ' 81' ' ' VAL . 51.8 mtt180 -83.89 -20.26 33.36 Favored 'General case' 0 C--N 1.327 -0.398 0 N-CA-C 112.784 0.661 . . . . 0.0 112.784 -171.63 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 78' ' ' CYS . . . . . . . . . . . . . 89.8 m -66.74 -44.57 81.14 Favored 'General case' 0 C--N 1.329 -0.317 0 N-CA-C 109.072 -0.714 . . . . 0.0 109.072 170.229 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . -59.92 -32.95 76.6 Favored Glycine 0 N--CA 1.447 -0.616 0 CA-C-N 115.867 -0.606 . . . . 0.0 112.083 175.457 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 32.0 tt0 -68.95 -40.9 78.68 Favored 'General case' 0 N--CA 1.455 -0.215 0 C-N-CA 121.161 -0.216 . . . . 0.0 110.436 177.12 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 81' ' ' VAL . . . . . 0.56 HG23 ' O ' ' A' ' 77' ' ' ARG . 93.2 t -60.39 -45.95 95.85 Favored 'Isoleucine or valine' 0 C--O 1.232 0.158 0 CA-C-O 120.929 0.395 . . . . 0.0 110.147 176.311 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 82' ' ' PHE . . . . . 0.457 ' O ' HG13 ' A' ' 86' ' ' ILE . 49.1 m-85 -57.91 -45.04 87.12 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 116.071 -0.513 . . . . 0.0 110.758 176.622 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 15.3 ttm180 -68.22 -39.61 82.33 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.11 -0.496 . . . . 0.0 110.623 -179.663 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 84' ' ' TYR . . . . . . . . . . . . . 55.8 t80 -56.25 -44.79 80.02 Favored 'General case' 0 CA--C 1.517 -0.318 0 CA-C-N 116.12 -0.491 . . . . 0.0 109.881 175.546 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 85' ' ' ALA . . . . . 0.443 ' HB2' HD13 ' A' ' 47' ' ' ILE . . . -63.0 -38.61 91.89 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-N 115.753 -0.658 . . . . 0.0 111.115 179.325 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 86' ' ' ILE . . . . . 0.457 HG13 ' O ' ' A' ' 82' ' ' PHE . 76.5 mt -62.28 -44.0 98.65 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.529 0 CA-C-O 120.964 0.411 . . . . 0.0 110.505 177.624 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 87' ' ' VAL . . . . . . . . . . . . . 62.1 t -68.98 -32.93 56.49 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.294 0 CA-C-N 116.089 -0.505 . . . . 0.0 111.253 179.531 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 88' ' ' THR . . . . . 0.411 ' OG1' ' HA ' ' A' ' 85' ' ' ALA . 16.9 p -86.93 3.22 46.55 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-O 121.114 0.483 . . . . 0.0 111.266 -179.689 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . 68.39 31.53 74.28 Favored Glycine 0 N--CA 1.449 -0.444 0 CA-C-N 115.96 -0.564 . . . . 0.0 112.533 178.351 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 90' ' ' ARG . . . . . 0.5 ' HD3' HG12 ' A' ' 10' ' ' ILE . 95.8 mtt-85 -104.56 -23.9 13.06 Favored 'General case' 0 C--N 1.321 -0.643 0 CA-C-O 120.8 0.333 . . . . 0.0 110.922 -179.933 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . -132.95 155.74 48.55 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-O 120.932 0.396 . . . . 0.0 111.046 -178.04 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 82.0 mttt -109.54 -64.8 1.21 Allowed 'General case' 0 C--N 1.325 -0.494 0 CA-C-N 115.614 -0.721 . . . . 0.0 109.845 -179.32 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 93' ' ' TYR . . . . . . . . . . . . . 56.3 t80 -114.61 130.45 56.78 Favored 'General case' 0 C--N 1.323 -0.567 0 CA-C-N 115.345 -0.843 . . . . 0.0 109.424 -179.781 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 94' ' ' ASN . . . . . 0.492 ' HA ' ' HD3' ' A' ' 95' ' ' PRO . 22.1 p-10 -102.74 131.36 22.38 Favored Pre-proline 0 C--N 1.32 -0.675 0 CA-C-O 120.735 0.302 . . . . 0.0 110.305 178.962 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 95' ' ' PRO . . . . . 0.492 ' HD3' ' HA ' ' A' ' 94' ' ' ASN . 6.5 Cg_exo -73.89 29.08 0.32 Allowed 'Trans proline' 0 C--N 1.343 0.284 0 C-N-CA 123.31 2.674 . . . . 0.0 113.177 -177.321 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 96' ' ' ALA . . . . . 0.563 ' HB3' ' HD3' ' A' ' 97' ' ' PRO . . . -63.21 -48.21 83.69 Favored Pre-proline 0 C--N 1.324 -0.509 0 CA-C-N 116.687 -0.233 . . . . 0.0 111.409 178.591 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 97' ' ' PRO . . . . . 0.563 ' HD3' ' HB3' ' A' ' 96' ' ' ALA . 53.1 Cg_exo -57.99 -39.18 88.29 Favored 'Trans proline' 0 C--N 1.357 0.984 0 C-N-CA 121.9 1.734 . . . . 0.0 112.313 174.708 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 98' ' ' ASP . . . . . 0.802 ' HB3' ' HB3' ' A' ' 52' ' ' PRO . 3.7 m-20 -66.66 -40.23 88.53 Favored 'General case' 0 CA--C 1.517 -0.317 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.709 178.385 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 99' ' ' LEU . . . . . 0.652 ' HB2' HD23 ' A' ' 55' ' ' LEU . 2.9 tm? -54.68 -49.2 71.22 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 115.937 -0.574 . . . . 0.0 110.129 176.822 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 100' ' ' ALA . . . . . . . . . . . . . . . -64.35 -42.68 96.1 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 116.114 -0.494 . . . . 0.0 111.265 -178.545 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 11.4 t70 -71.15 -45.59 63.21 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.328 -0.397 . . . . 0.0 111.143 -175.495 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -63.55 -38.27 90.48 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 116.032 -0.531 . . . . 0.0 110.659 179.919 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 103' ' ' MET . . . . . 0.582 ' HE1' ' HE ' ' A' ' 75' ' ' ARG . 47.8 ttm -58.58 -43.43 89.45 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.026 -0.534 . . . . 0.0 110.426 177.638 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 104' ' ' LYS . . . . . . . . . . . . . 23.0 tptm . . . . . 0 C--N 1.325 -0.486 0 CA-C-N 115.575 -0.739 . . . . 0.0 110.808 -179.211 . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 86.0 m-20 . . . . . 0 C--O 1.233 0.214 0 CA-C-O 121.173 0.511 . . . . 0.0 110.107 . . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 6' ' ' SER . . . . . 0.459 ' HA ' ' HA ' ' A' ' 46' ' ' GLU . 6.9 m -76.9 153.27 34.86 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-N 115.686 -0.688 . . . . 0.0 110.371 -179.388 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 7' ' ' PHE . . . . . . . . . . . . . 46.3 t80 -60.14 -46.81 88.4 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.299 -0.409 . . . . 0.0 111.172 -175.884 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 68.0 m -59.87 -35.21 74.32 Favored 'General case' 0 C--N 1.331 -0.206 0 N-CA-C 111.612 0.227 . . . . 0.0 111.612 -178.326 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -64.28 -50.38 68.11 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-O 120.856 0.36 . . . . 0.0 111.004 -179.639 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 55.5 mt -73.09 -31.46 35.13 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.412 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.433 -179.286 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -62.25 -39.3 92.41 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.093 173.403 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 86.3 tttt -69.57 -42.03 75.05 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 115.902 -0.59 . . . . 0.0 110.08 178.865 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 46.9 tp10 -59.39 -46.13 89.54 Favored 'General case' 0 C--O 1.236 0.384 0 CA-C-O 121.4 0.619 . . . . 0.0 109.991 175.375 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 14' ' ' TRP . . . . . 0.453 ' HZ2' ' HD2' ' A' ' 77' ' ' ARG . 44.9 t90 -60.3 -54.19 48.67 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 114.993 -1.003 . . . . 0.0 110.526 177.349 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 15' ' ' TYR . . . . . . . . . . . . . 22.2 t80 -55.77 -46.89 77.83 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.314 -0.403 . . . . 0.0 111.311 179.225 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 1.4 tm-20 -53.71 -47.85 70.15 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 121.083 0.468 . . . . 0.0 110.697 -177.088 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 17' ' ' HIS . . . . . . . . . . . . . 6.6 m-70 -83.22 -38.95 21.56 Favored 'General case' 0 C--N 1.321 -0.64 0 CA-C-N 116.113 -0.494 . . . . 0.0 111.104 -175.314 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 25.6 tptp -71.87 -21.66 61.62 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 116.462 -0.335 . . . . 0.0 111.276 -175.143 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 16.0 pttm -69.03 -12.16 61.43 Favored 'General case' 0 C--N 1.331 -0.202 0 CA-C-O 120.774 0.321 . . . . 0.0 110.696 -179.229 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 95.3 mt-30 -78.04 -25.91 48.08 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.965 0.412 . . . . 0.0 110.273 176.876 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 27.6 t -87.03 -29.37 5.72 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.389 0 CA-C-O 121.401 0.62 . . . . 0.0 110.02 178.88 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 22' ' ' TRP . . . . . . . . . . . . . 30.2 m0 -94.71 178.5 5.57 Favored 'General case' 0 C--N 1.323 -0.557 0 CA-C-N 115.803 -0.635 . . . . 0.0 110.408 177.277 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 43.8 m -87.96 143.86 26.87 Favored 'General case' 0 C--N 1.318 -0.785 0 N-CA-C 108.63 -0.878 . . . . 0.0 108.63 170.118 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 11.2 p -58.35 -33.56 47.97 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.383 0 O-C-N 123.12 0.263 . . . . 0.0 111.498 -172.949 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -62.13 -55.35 28.43 Favored Glycine 0 N--CA 1.45 -0.417 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.002 178.324 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 26' ' ' TYR . . . . . . . . . . . . . 70.5 t80 -68.75 -33.94 74.75 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.561 0.219 . . . . 0.0 110.917 179.855 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -58.6 -49.47 77.35 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-O 120.843 0.354 . . . . 0.0 110.535 178.147 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 9.2 m -70.71 -31.13 67.88 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.722 179.096 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 39.5 tt0 -65.59 -47.0 77.25 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 121.094 0.473 . . . . 0.0 110.249 176.823 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 10.3 tt -64.18 -37.93 89.24 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 115.722 -0.672 . . . . 0.0 109.721 176.771 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -62.73 -44.18 96.89 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 115.967 -0.56 . . . . 0.0 110.636 176.756 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 60.2 tttp -68.09 -31.32 70.86 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.384 -0.371 . . . . 0.0 110.586 179.003 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 33' ' ' MET . . . . . . . . . . . . . 11.9 tmm? -64.48 -52.55 57.32 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.049 174.905 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 34' ' ' PHE . . . . . 0.453 ' CG ' HD12 ' A' ' 38' ' ' ILE . 3.7 m-85 -56.67 -39.76 74.33 Favored 'General case' 0 N--CA 1.462 0.15 0 CA-C-N 116.015 -0.539 . . . . 0.0 110.196 173.883 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 35' ' ' ASP . . . . . 0.783 ' HA ' ' HG ' ' A' ' 39' ' ' LEU . 9.7 t70 -60.24 -67.05 0.43 Allowed 'General case' 0 C--N 1.324 -0.512 0 CA-C-N 115.268 -0.878 . . . . 0.0 111.382 -179.262 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 30.5 t70 -62.69 -36.28 82.42 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-N 115.553 -0.749 . . . . 0.0 112.519 -167.505 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 45.0 m-20 -100.93 -52.54 3.27 Favored 'General case' 0 C--N 1.324 -0.533 0 C-N-CA 120.743 -0.383 . . . . 0.0 111.942 -175.603 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 38' ' ' ILE . . . . . 0.571 HG12 HG13 ' A' ' 58' ' ' VAL . 15.8 mt -78.54 -35.01 18.43 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.641 0 N-CA-C 112.536 0.569 . . . . 0.0 112.536 -169.485 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 39' ' ' LEU . . . . . 0.783 ' HG ' ' HA ' ' A' ' 35' ' ' ASP . 19.6 mt -64.75 -47.19 75.84 Favored Pre-proline 0 CA--C 1.534 0.339 0 N-CA-C 113.043 0.757 . . . . 0.0 113.043 -174.068 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 40' ' ' PRO . . . . . 0.499 ' HD2' ' N ' ' A' ' 39' ' ' LEU . 26.7 Cg_endo -63.44 -15.57 49.27 Favored 'Trans proline' 0 C--N 1.353 0.808 0 C-N-CA 121.603 1.535 . . . . 0.0 112.546 176.857 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 41' ' ' ILE . . . . . 0.692 HG22 HG23 ' A' ' 42' ' ' ILE . 57.6 mt -91.07 -61.33 1.99 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 116.529 -0.305 . . . . 0.0 110.929 -179.171 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 42' ' ' ILE . . . . . 0.692 HG23 HG22 ' A' ' 41' ' ' ILE . 7.8 pt -130.74 -3.09 2.33 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.24 0 N-CA-C 112.702 0.63 . . . . 0.0 112.702 -177.263 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 43' ' ' GLY . . . . . 0.569 ' HA3' ' HA ' ' A' ' 39' ' ' LEU . . . -60.54 -34.75 87.1 Favored Glycine 0 N--CA 1.453 -0.176 0 C-N-CA 120.354 -0.927 . . . . 0.0 112.527 -176.485 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -85.35 4.65 85.31 Favored Glycine 0 N--CA 1.445 -0.707 0 C-N-CA 120.636 -0.792 . . . . 0.0 112.612 179.757 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 88.4 mt -94.97 169.37 10.18 Favored 'General case' 0 N--CA 1.449 -0.498 0 CA-C-O 120.991 0.424 . . . . 0.0 110.443 -179.933 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 46' ' ' GLU . . . . . 0.466 ' HG2' ' H ' ' A' ' 48' ' ' GLN . 40.0 tt0 -87.25 138.3 31.6 Favored 'General case' 0 C--N 1.32 -0.717 0 N-CA-C 109.299 -0.63 . . . . 0.0 109.299 177.789 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 47' ' ' ILE . . . . . 0.517 HD11 ' HA ' ' A' ' 82' ' ' PHE . 15.7 tt -64.05 -20.87 27.6 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.421 0 CA-C-O 121.133 0.492 . . . . 0.0 111.4 -173.754 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 48' ' ' GLN . . . . . 0.466 ' H ' ' HG2' ' A' ' 46' ' ' GLU . 79.7 mt-30 -85.42 -16.05 41.01 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 116.09 -0.505 . . . . 0.0 111.37 179.47 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 17.9 t70 -136.13 84.22 2.06 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-O 121.119 0.485 . . . . 0.0 110.935 -175.268 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 50' ' ' ILE . . . . . . . . . . . . . 78.9 mt -130.67 132.46 64.27 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.662 0 CA-C-N 115.696 -0.684 . . . . 0.0 109.741 176.324 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 37.7 mt-10 -71.38 140.04 84.65 Favored Pre-proline 0 C--N 1.327 -0.391 0 CA-C-N 116.665 -0.243 . . . . 0.0 110.571 -179.517 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 52' ' ' PRO . . . . . 0.694 ' HB3' ' HB3' ' A' ' 98' ' ' ASP . 41.4 Cg_exo -57.27 -34.69 98.28 Favored 'Trans proline' 0 C--N 1.341 0.172 0 C-N-CA 122.477 2.118 . . . . 0.0 111.177 174.457 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 53' ' ' MET . . . . . . . . . . . . . 89.4 mtp -66.32 -36.03 81.9 Favored 'General case' 0 C--O 1.223 -0.294 0 CA-C-N 115.552 -0.749 . . . . 0.0 110.621 178.506 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 77.8 mt-30 -75.32 -39.18 59.77 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 116.255 -0.43 . . . . 0.0 111.196 -178.803 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 21.7 tp -66.49 -33.92 76.76 Favored 'General case' 0 C--N 1.323 -0.573 0 N-CA-C 109.269 -0.641 . . . . 0.0 109.269 176.399 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 2.6 tm? -70.3 -36.17 74.17 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 115.821 -0.627 . . . . 0.0 109.787 174.777 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 57' ' ' GLU . . . . . 0.459 ' CD ' HH21 ' A' ' 60' ' ' ARG . 5.9 tp10 -61.38 -34.26 75.04 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 120.941 0.401 . . . . 0.0 109.945 177.886 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 58' ' ' VAL . . . . . 0.571 HG13 HG12 ' A' ' 38' ' ' ILE . 61.7 t -60.54 -55.49 24.06 Favored 'Isoleucine or valine' 0 C--O 1.236 0.35 0 CA-C-O 121.502 0.668 . . . . 0.0 110.352 173.801 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 59' ' ' ILE . . . . . . . . . . . . . 1.7 mp -57.89 -45.34 87.57 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.57 0 CA-C-N 115.398 -0.819 . . . . 0.0 110.521 178.887 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 60' ' ' ARG . . . . . 0.459 HH21 ' CD ' ' A' ' 57' ' ' GLU . 13.8 ttp180 -69.92 -24.94 63.45 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 115.875 -0.602 . . . . 0.0 110.758 -177.923 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 61' ' ' ARG . . . . . 0.448 ' HB3' ' O ' ' A' ' 58' ' ' VAL . 16.1 tpt180 -60.39 -42.94 96.96 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.062 -0.517 . . . . 0.0 109.61 174.943 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 62' ' ' PHE . . . . . . . . . . . . . 93.9 m-85 -73.66 -32.22 63.87 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 115.816 -0.629 . . . . 0.0 110.994 176.399 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 41.2 mt-10 -68.91 -20.67 64.24 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.482 -0.326 . . . . 0.0 111.425 179.214 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 18.4 t70 -63.66 -41.05 98.25 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 121.128 0.49 . . . . 0.0 110.524 176.695 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 80.4 mtm-85 -87.48 -15.99 36.06 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-N 115.865 -0.607 . . . . 0.0 110.265 179.172 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 92.78 19.75 36.23 Favored Glycine 0 N--CA 1.452 -0.293 0 C-N-CA 120.97 -0.633 . . . . 0.0 112.511 177.209 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -82.79 77.41 9.54 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-O 120.888 0.375 . . . . 0.0 110.568 -179.647 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 68' ' ' MET . . . . . 0.549 ' HA ' ' CE ' ' A' ' 68' ' ' MET . 7.0 mmt -60.23 -42.16 94.62 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 115.999 -0.546 . . . . 0.0 111.377 -177.29 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 27.4 mt-10 -63.36 -46.31 87.13 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-N 115.979 -0.555 . . . . 0.0 110.4 -177.897 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 95.0 mtt180 -77.35 -26.49 52.07 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 115.852 -0.613 . . . . 0.0 111.283 -176.567 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -67.37 -47.66 69.73 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 121.054 0.454 . . . . 0.0 110.371 176.413 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 72' ' ' ASN . . . . . . . . . . . . . 88.8 m-20 -69.52 -31.1 69.12 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 115.964 -0.562 . . . . 0.0 110.652 178.573 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 74.5 tttt -74.8 -33.04 62.17 Favored 'General case' 0 N--CA 1.453 -0.311 0 CA-C-N 116.394 -0.366 . . . . 0.0 110.1 178.495 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -59.49 -48.26 82.34 Favored 'General case' 0 CA--C 1.519 -0.236 0 N-CA-C 109.677 -0.49 . . . . 0.0 109.677 174.221 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 75' ' ' ARG . . . . . 0.408 ' NH2' ' HB2' ' A' ' 100' ' ' ALA . 72.2 ttt180 -54.68 -51.64 64.86 Favored 'General case' 0 C--O 1.234 0.27 0 CA-C-N 115.873 -0.603 . . . . 0.0 110.774 176.297 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 23.2 mtp180 -59.61 -53.85 53.23 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 115.967 -0.56 . . . . 0.0 111.907 -179.049 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 77' ' ' ARG . . . . . 0.484 ' O ' HG23 ' A' ' 81' ' ' VAL . 21.3 mmt180 -71.83 -32.55 67.65 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-N 116.435 -0.348 . . . . 0.0 111.901 -172.445 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 78' ' ' CYS . . . . . . . . . . . . . 99.5 m -63.81 -46.38 85.39 Favored 'General case' 0 C--N 1.329 -0.295 0 N-CA-C 109.231 -0.655 . . . . 0.0 109.231 172.342 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . -60.82 -27.51 66.81 Favored Glycine 0 N--CA 1.448 -0.502 0 C-N-CA 120.938 -0.649 . . . . 0.0 111.848 175.569 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 31.2 tt0 -73.81 -37.65 64.82 Favored 'General case' 0 C--N 1.329 -0.317 0 N-CA-C 110.238 -0.282 . . . . 0.0 110.238 177.208 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 81' ' ' VAL . . . . . 0.484 HG23 ' O ' ' A' ' 77' ' ' ARG . 86.0 t -61.8 -45.6 98.34 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.229 0 N-CA-C 109.573 -0.528 . . . . 0.0 109.573 172.919 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 82' ' ' PHE . . . . . 0.517 ' HA ' HD11 ' A' ' 47' ' ' ILE . 57.8 m-85 -58.29 -49.88 75.59 Favored 'General case' 0 C--N 1.332 -0.18 0 CA-C-N 115.906 -0.588 . . . . 0.0 110.402 174.493 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 83' ' ' ARG . . . . . 0.525 ' O ' HG23 ' A' ' 87' ' ' VAL . 4.9 ttp180 -58.33 -41.25 84.14 Favored 'General case' 0 C--N 1.332 -0.188 0 CA-C-N 115.954 -0.566 . . . . 0.0 111.268 179.474 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 84' ' ' TYR . . . . . . . . . . . . . 61.9 t80 -61.47 -40.27 93.91 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-O 121.105 0.479 . . . . 0.0 110.162 178.742 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 85' ' ' ALA . . . . . 0.527 ' HA ' HG22 ' A' ' 88' ' ' THR . . . -71.48 -29.59 65.01 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 115.842 -0.617 . . . . 0.0 110.933 178.423 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 86' ' ' ILE . . . . . 0.502 HG13 ' O ' ' A' ' 82' ' ' PHE . 81.2 mt -66.86 -43.26 89.67 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.395 0 CA-C-O 121.026 0.441 . . . . 0.0 109.956 174.401 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 87' ' ' VAL . . . . . 0.525 HG23 ' O ' ' A' ' 83' ' ' ARG . 91.2 t -63.47 -43.0 98.21 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 115.834 -0.621 . . . . 0.0 111.061 179.149 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 88' ' ' THR . . . . . 0.527 HG22 ' HA ' ' A' ' 85' ' ' ALA . 3.5 t -73.32 -14.5 61.31 Favored 'General case' 0 CA--C 1.537 0.459 0 CA-C-O 121.077 0.465 . . . . 0.0 110.443 -179.966 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . 86.26 27.64 30.05 Favored Glycine 0 C--N 1.331 0.305 0 C-N-CA 120.995 -0.621 . . . . 0.0 113.377 174.967 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 74.7 mtt180 -120.79 7.95 10.51 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-O 121.02 0.438 . . . . 0.0 111.167 179.002 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . -140.1 134.9 31.96 Favored 'General case' 0 C--N 1.323 -0.573 0 N-CA-C 109.238 -0.653 . . . . 0.0 109.238 170.658 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 97.8 mttt -91.27 -47.22 7.61 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-O 120.689 0.28 . . . . 0.0 111.354 -175.427 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 93' ' ' TYR . . . . . . . . . . . . . 12.7 p90 -138.79 162.68 34.13 Favored 'General case' 0 C--N 1.323 -0.586 0 N-CA-C 109.974 -0.38 . . . . 0.0 109.974 -179.111 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 94' ' ' ASN . . . . . 0.437 ' HB3' ' HB3' ' A' ' 82' ' ' PHE . 27.6 p-10 -119.34 135.76 24.17 Favored Pre-proline 0 C--N 1.32 -0.685 0 CA-C-N 116.187 -0.461 . . . . 0.0 109.931 177.237 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 95' ' ' PRO . . . . . . . . . . . . . 72.8 Cg_endo -75.88 32.99 0.39 Allowed 'Trans proline' 0 CA--C 1.53 0.31 0 C-N-CA 122.788 2.325 . . . . 0.0 113.076 -177.919 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 96' ' ' ALA . . . . . 0.583 ' N ' ' HD2' ' A' ' 97' ' ' PRO . . . -66.52 -44.74 56.78 Favored Pre-proline 0 C--N 1.327 -0.412 0 CA-C-N 116.478 -0.328 . . . . 0.0 111.879 179.315 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 97' ' ' PRO . . . . . 0.583 ' HD2' ' N ' ' A' ' 96' ' ' ALA . 16.1 Cg_endo -58.31 -43.58 45.58 Favored 'Trans proline' 0 C--N 1.357 0.997 0 C-N-CA 122.068 1.845 . . . . 0.0 112.152 174.588 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 98' ' ' ASP . . . . . 0.694 ' HB3' ' HB3' ' A' ' 52' ' ' PRO . 2.1 m-20 -70.05 -32.21 70.21 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.419 -0.355 . . . . 0.0 111.123 178.902 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 99' ' ' LEU . . . . . . . . . . . . . 3.2 tm? -58.0 -50.66 72.65 Favored 'General case' 0 C--N 1.328 -0.338 0 N-CA-C 109.203 -0.665 . . . . 0.0 109.203 173.182 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 100' ' ' ALA . . . . . 0.575 ' O ' ' HG3' ' A' ' 104' ' ' LYS . . . -63.72 -42.55 97.91 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 115.566 -0.743 . . . . 0.0 110.719 179.059 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 12.4 t70 -64.77 -40.22 94.91 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.867 -178.285 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -65.71 -37.25 85.91 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.427 177.794 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 103' ' ' MET . . . . . . . . . . . . . 46.5 ttm -64.06 -38.01 89.51 Favored 'General case' 0 C--N 1.323 -0.571 0 CA-C-N 116.012 -0.54 . . . . 0.0 110.392 177.613 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 104' ' ' LYS . . . . . 0.575 ' HG3' ' O ' ' A' ' 100' ' ' ALA . 78.1 mttt . . . . . 0 N--CA 1.464 0.257 0 CA-C-N 115.959 -0.564 . . . . 0.0 110.814 179.117 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 92.9 m-20 . . . . . 0 C--O 1.234 0.259 0 CA-C-O 120.802 0.334 . . . . 0.0 110.666 . . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 6' ' ' SER . . . . . 0.541 ' HA ' ' HA ' ' A' ' 46' ' ' GLU . 4.7 p -70.73 147.3 49.18 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.111 177.542 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 7' ' ' PHE . . . . . 0.665 ' HE1' ' HZ ' ' A' ' 34' ' ' PHE . 15.3 t80 -64.12 -40.61 96.57 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 116.266 -0.424 . . . . 0.0 110.653 -175.571 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 20.4 p -57.58 -45.68 84.94 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.373 -0.376 . . . . 0.0 111.303 179.07 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -63.21 -50.15 71.41 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.156 -0.474 . . . . 0.0 111.473 -178.109 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 10' ' ' ILE . . . . . 0.432 HD12 HG21 ' A' ' 47' ' ' ILE . 57.5 mt -68.4 -37.33 77.7 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.386 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.826 -177.938 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 11' ' ' TYR . . . . . 0.46 ' OH ' ' HA ' ' A' ' 31' ' ' ALA . 87.5 t80 -58.94 -38.7 79.6 Favored 'General case' 0 C--O 1.223 -0.325 0 N-CA-C 110.165 -0.309 . . . . 0.0 110.165 174.621 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 84.6 tttt -67.4 -40.38 85.63 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.594 -0.276 . . . . 0.0 110.871 -178.463 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 37.6 tt0 -64.07 -50.57 67.86 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 121.081 0.467 . . . . 0.0 109.794 177.153 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 14' ' ' TRP . . . . . . . . . . . . . 69.1 t90 -57.26 -44.24 83.76 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 115.502 -0.772 . . . . 0.0 110.285 176.847 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 15' ' ' TYR . . . . . 0.511 ' CE1' ' HB2' ' A' ' 31' ' ' ALA . 42.1 t80 -61.52 -46.94 87.81 Favored 'General case' 0 C--O 1.222 -0.364 0 CA-C-N 115.79 -0.641 . . . . 0.0 111.472 178.253 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 28.6 tt0 -59.55 -41.34 89.88 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.82 0.343 . . . . 0.0 110.658 -176.918 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 17' ' ' HIS . . . . . . . . . . . . . 69.4 m80 -67.48 -42.22 83.29 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.608 177.929 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 39.4 mmtm -69.18 -27.41 65.49 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-O 120.924 0.392 . . . . 0.0 111.086 178.36 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 37.7 ttpt -65.07 -23.41 67.17 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-N 116.024 -0.534 . . . . 0.0 110.452 178.848 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 90.8 mt-30 -80.69 -17.43 51.13 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-N 115.917 -0.583 . . . . 0.0 110.094 177.975 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 50.5 t -93.83 -51.4 11.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 115.59 -0.732 . . . . 0.0 110.668 -179.222 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 22' ' ' TRP . . . . . . . . . . . . . 11.9 m0 -81.82 171.68 14.23 Favored 'General case' 0 C--N 1.322 -0.623 0 CA-C-N 115.852 -0.613 . . . . 0.0 110.581 -178.176 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 11.6 p -76.05 142.86 41.69 Favored 'General case' 0 C--N 1.323 -0.583 0 CA-C-N 115.916 -0.583 . . . . 0.0 109.568 173.254 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 14.2 p -57.19 -36.77 52.9 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.351 0 N-CA-C 111.741 0.275 . . . . 0.0 111.741 -175.941 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -64.18 -43.31 97.3 Favored Glycine 0 N--CA 1.451 -0.358 0 C-N-CA 120.79 -0.719 . . . . 0.0 112.008 178.933 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 26' ' ' TYR . . . . . . . . . . . . . 78.1 t80 -71.27 -40.25 71.06 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-O 121.001 0.429 . . . . 0.0 109.972 178.712 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -60.45 -46.75 88.94 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 115.766 -0.652 . . . . 0.0 111.186 179.982 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 94.6 m -59.86 -44.77 93.96 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.678 -0.237 . . . . 0.0 111.169 178.438 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 32.3 tt0 -62.18 -44.83 95.73 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-O 120.888 0.375 . . . . 0.0 110.536 -179.623 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 8.8 tt -63.15 -45.3 92.54 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 115.693 -0.685 . . . . 0.0 110.696 -179.148 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 31' ' ' ALA . . . . . 0.511 ' HB2' ' CE1' ' A' ' 15' ' ' TYR . . . -68.96 -47.33 65.89 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.074 -0.512 . . . . 0.0 111.313 -178.562 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 64.7 tttm -60.14 -39.49 86.5 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.928 0.394 . . . . 0.0 110.731 -179.481 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 33' ' ' MET . . . . . 0.639 ' SD ' ' HD3' ' A' ' 70' ' ' ARG . 45.8 ttp -60.16 -39.4 86.28 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-O 121.211 0.529 . . . . 0.0 110.26 176.835 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 34' ' ' PHE . . . . . 0.665 ' HZ ' ' HE1' ' A' ' 7' ' ' PHE . 18.8 t80 -67.29 -46.8 72.52 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 115.753 -0.658 . . . . 0.0 109.644 178.179 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 35' ' ' ASP . . . . . 0.511 ' O ' ' HB2' ' A' ' 39' ' ' LEU . 18.4 m-20 -57.42 -54.2 49.47 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-N 116.063 -0.517 . . . . 0.0 110.984 177.307 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 10.2 m-20 -53.88 -60.15 3.69 Favored 'General case' 0 C--N 1.326 -0.426 0 N-CA-C 112.608 0.595 . . . . 0.0 112.608 -173.596 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 68.5 m-20 -90.05 -40.56 12.22 Favored 'General case' 0 C--N 1.323 -0.577 0 C-N-CA 120.639 -0.424 . . . . 0.0 112.041 -172.856 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 38' ' ' ILE . . . . . 0.566 HD12 ' CD2' ' A' ' 34' ' ' PHE . 15.6 mt -88.27 -32.07 5.88 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.634 0 N-CA-C 112.634 0.605 . . . . 0.0 112.634 -167.244 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 39' ' ' LEU . . . . . 0.521 HD22 ' HA3' ' A' ' 43' ' ' GLY . 0.2 OUTLIER -60.74 -49.35 89.94 Favored Pre-proline 0 CA--C 1.538 0.513 0 C-N-CA 120.949 -0.301 . . . . 0.0 111.773 -175.282 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 40' ' ' PRO . . . . . 0.472 ' HD2' ' N ' ' A' ' 39' ' ' LEU . 41.5 Cg_endo -68.15 -1.38 7.02 Favored 'Trans proline' 0 C--N 1.353 0.78 0 C-N-CA 121.791 1.661 . . . . 0.0 112.902 178.329 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 41' ' ' ILE . . . . . 0.44 HG22 HG23 ' A' ' 42' ' ' ILE . 37.2 mm -102.46 -59.73 3.22 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.404 0 C-N-CA 121.225 -0.19 . . . . 0.0 110.825 179.223 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 42' ' ' ILE . . . . . 0.44 HG23 HG22 ' A' ' 41' ' ' ILE . 5.2 pt -129.04 -1.16 3.03 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.252 0 N-CA-C 112.061 0.393 . . . . 0.0 112.061 -178.162 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 43' ' ' GLY . . . . . 0.521 ' HA3' HD22 ' A' ' 39' ' ' LEU . . . -61.77 -35.33 91.1 Favored Glycine 0 N--CA 1.453 -0.232 0 C-N-CA 120.685 -0.769 . . . . 0.0 112.721 -174.326 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -88.08 -0.35 83.19 Favored Glycine 0 N--CA 1.447 -0.571 0 C-N-CA 120.695 -0.764 . . . . 0.0 112.709 -179.646 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 91.2 mt -88.37 164.63 15.44 Favored 'General case' 0 C--N 1.327 -0.377 0 N-CA-C 109.776 -0.454 . . . . 0.0 109.776 -179.474 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 46' ' ' GLU . . . . . 0.541 ' HA ' ' HA ' ' A' ' 6' ' ' SER . 42.8 mt-10 -89.29 140.14 29.79 Favored 'General case' 0 C--N 1.321 -0.637 0 N-CA-C 109.657 -0.497 . . . . 0.0 109.657 177.185 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 47' ' ' ILE . . . . . 0.432 HG21 HD12 ' A' ' 10' ' ' ILE . 16.5 tt -64.36 -18.21 22.57 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.611 0 CA-C-O 121.233 0.54 . . . . 0.0 111.499 -173.226 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 85.1 mt-30 -85.83 -20.71 28.74 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-N 116.036 -0.529 . . . . 0.0 110.88 -178.422 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 14.6 t70 -132.99 83.92 2.1 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-O 121.146 0.498 . . . . 0.0 110.618 -174.873 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 50' ' ' ILE . . . . . . . . . . . . . 51.7 mt -132.04 124.06 52.19 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.65 0 CA-C-N 115.67 -0.696 . . . . 0.0 109.941 175.742 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 51' ' ' GLU . . . . . 0.672 ' HG3' ' HB2' ' A' ' 54' ' ' GLN . 9.1 pt-20 -73.59 138.84 77.43 Favored Pre-proline 0 C--N 1.321 -0.638 0 CA-C-N 115.8 -0.636 . . . . 0.0 110.205 177.758 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 52' ' ' PRO . . . . . 0.445 ' HB3' ' HB3' ' A' ' 98' ' ' ASP . 11.2 Cg_endo -55.57 -35.15 92.06 Favored 'Trans proline' 0 C--N 1.344 0.296 0 C-N-CA 123.05 2.5 . . . . 0.0 113.022 -176.786 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 53' ' ' MET . . . . . . . . . . . . . 66.7 mtt -71.25 -27.67 63.62 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.551 -0.295 . . . . 0.0 111.009 -177.94 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 54' ' ' GLN . . . . . 0.672 ' HB2' ' HG3' ' A' ' 51' ' ' GLU . 44.2 tp60 -75.29 -41.82 56.21 Favored 'General case' 0 C--N 1.327 -0.403 0 N-CA-C 109.49 -0.559 . . . . 0.0 109.49 178.02 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 55' ' ' LEU . . . . . 0.544 ' O ' ' HB ' ' A' ' 58' ' ' VAL . 38.9 tp -64.67 -36.41 84.19 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-O 121.477 0.656 . . . . 0.0 109.437 175.365 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 56' ' ' LEU . . . . . 0.544 HD11 ' HE ' ' A' ' 60' ' ' ARG . 2.7 tm? -67.65 -32.34 72.96 Favored 'General case' 0 C--N 1.326 -0.413 0 CA-C-N 115.446 -0.797 . . . . 0.0 110.24 176.979 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 33.0 tt0 -64.29 -31.92 73.32 Favored 'General case' 0 N--CA 1.454 -0.266 0 N-CA-C 109.875 -0.417 . . . . 0.0 109.875 176.936 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 58' ' ' VAL . . . . . 0.552 HG13 HG12 ' A' ' 38' ' ' ILE . 43.8 t -58.72 -54.36 34.67 Favored 'Isoleucine or valine' 0 C--O 1.236 0.359 0 CA-C-O 121.203 0.525 . . . . 0.0 110.238 171.561 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 59' ' ' ILE . . . . . . . . . . . . . 1.8 mp -55.17 -45.11 77.21 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 115.581 -0.736 . . . . 0.0 110.876 178.713 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 60' ' ' ARG . . . . . 0.544 ' HE ' HD11 ' A' ' 56' ' ' LEU . 74.5 mtt-85 -80.74 -9.69 59.78 Favored 'General case' 0 C--N 1.328 -0.364 0 N-CA-C 112.109 0.411 . . . . 0.0 112.109 -177.871 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 47.9 tpt85 -69.37 -39.55 77.99 Favored 'General case' 0 C--N 1.324 -0.506 0 N-CA-C 108.715 -0.846 . . . . 0.0 108.715 171.748 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 62' ' ' PHE . . . . . . . . . . . . . 75.5 m-85 -71.73 -33.25 68.56 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-N 115.692 -0.685 . . . . 0.0 110.263 172.594 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 63' ' ' GLU . . . . . 0.447 ' CB ' ' HA ' ' A' ' 60' ' ' ARG . 33.4 tt0 -58.64 -53.65 55.97 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.014 -0.539 . . . . 0.0 110.726 177.915 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 1.6 p30 -69.78 -20.37 63.48 Favored 'General case' 0 N--CA 1.465 0.292 0 C-N-CA 120.994 -0.283 . . . . 0.0 110.952 -179.931 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 36.7 ttt180 -76.73 -22.36 53.96 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 121.203 0.525 . . . . 0.0 110.015 175.959 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 104.75 -8.1 46.31 Favored Glycine 0 N--CA 1.447 -0.589 0 CA-C-N 115.781 -0.645 . . . . 0.0 112.571 177.77 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -89.18 107.38 19.02 Favored 'General case' 0 C--N 1.326 -0.413 0 CA-C-O 120.874 0.369 . . . . 0.0 110.942 -176.546 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 68' ' ' MET . . . . . 0.497 ' HA ' ' CE ' ' A' ' 68' ' ' MET . 3.2 mmt -85.63 -47.7 9.58 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.817 -178.002 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 18.7 tt0 -62.48 -45.31 93.62 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.054 -0.521 . . . . 0.0 110.445 -179.602 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 70' ' ' ARG . . . . . 0.639 ' HD3' ' SD ' ' A' ' 33' ' ' MET . 55.4 mtt180 -73.7 -14.5 61.15 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-N 115.815 -0.629 . . . . 0.0 111.205 -177.642 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -70.44 -42.99 70.82 Favored 'General case' 0 C--O 1.233 0.218 0 N-CA-C 109.434 -0.58 . . . . 0.0 109.434 172.09 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 72' ' ' ASN . . . . . . . . . . . . . 9.9 t30 -66.5 -36.15 82.01 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 115.787 -0.642 . . . . 0.0 109.926 174.496 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 73' ' ' LYS . . . . . 0.554 ' HB2' ' HA ' ' A' ' 70' ' ' ARG . 46.8 mttp -59.37 -37.09 77.02 Favored 'General case' 0 C--N 1.333 -0.152 0 CA-C-N 116.115 -0.493 . . . . 0.0 111.228 176.214 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -63.38 -55.85 21.11 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-O 120.96 0.41 . . . . 0.0 110.004 176.373 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 63.5 ttt180 -50.71 -50.97 53.98 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 114.935 -1.029 . . . . 0.0 111.534 179.039 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 33.5 ttt85 -63.21 -48.94 76.19 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 115.744 -0.662 . . . . 0.0 111.864 -177.535 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 77' ' ' ARG . . . . . 0.52 ' O ' HG23 ' A' ' 81' ' ' VAL . 73.6 mtm180 -63.38 -49.13 75.03 Favored 'General case' 0 CA--C 1.518 -0.287 0 C-N-CA 121.226 -0.19 . . . . 0.0 111.398 -177.693 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 78' ' ' CYS . . . . . . . . . . . . . 74.5 m -55.6 -42.57 75.02 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-O 120.745 0.307 . . . . 0.0 110.245 179.159 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . -57.95 -39.89 92.46 Favored Glycine 0 N--CA 1.448 -0.533 0 CA-C-N 115.968 -0.56 . . . . 0.0 112.585 177.558 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 33.0 tt0 -76.47 -30.85 57.46 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.916 0.358 . . . . 0.0 110.722 179.498 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 81' ' ' VAL . . . . . 0.52 HG23 ' O ' ' A' ' 77' ' ' ARG . 93.0 t -62.3 -44.12 98.8 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 N-CA-C 109.65 -0.5 . . . . 0.0 109.65 173.764 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 82' ' ' PHE . . . . . 0.551 ' O ' HG13 ' A' ' 86' ' ' ILE . 41.0 m-85 -59.02 -48.03 83.08 Favored 'General case' 0 C--N 1.332 -0.192 0 CA-C-N 115.812 -0.631 . . . . 0.0 109.933 172.865 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 83' ' ' ARG . . . . . 0.452 ' O ' HG23 ' A' ' 87' ' ' VAL . 56.6 ttt180 -54.5 -51.38 65.28 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 115.537 -0.756 . . . . 0.0 110.871 177.578 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 84' ' ' TYR . . . . . . . . . . . . . 56.8 t80 -54.75 -43.64 72.91 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 115.752 -0.658 . . . . 0.0 110.464 178.944 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 85' ' ' ALA . . . . . 0.43 ' HB2' HD13 ' A' ' 47' ' ' ILE . . . -66.43 -39.69 89.08 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-N 116.069 -0.514 . . . . 0.0 111.337 179.716 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 86' ' ' ILE . . . . . 0.579 ' HA ' ' O ' ' A' ' 91' ' ' ALA . 67.6 mt -63.6 -39.97 87.32 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.355 0 CA-C-O 121.124 0.488 . . . . 0.0 110.568 178.676 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 87' ' ' VAL . . . . . 0.452 HG23 ' O ' ' A' ' 83' ' ' ARG . 63.9 t -69.94 -36.98 71.53 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.432 0 CA-C-N 115.962 -0.563 . . . . 0.0 111.08 178.755 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 88' ' ' THR . . . . . . . . . . . . . 20.6 p -83.66 -7.14 59.56 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 116.288 -0.415 . . . . 0.0 111.534 -178.163 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . 85.15 24.58 43.69 Favored Glycine 0 CA--C 1.519 0.332 0 C-N-CA 120.776 -0.726 . . . . 0.0 113.336 176.669 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 56.5 mtm180 -109.11 -4.34 16.67 Favored 'General case' 0 C--N 1.323 -0.587 0 CA-C-O 120.991 0.424 . . . . 0.0 110.764 178.574 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 91' ' ' ALA . . . . . 0.579 ' O ' ' HA ' ' A' ' 86' ' ' ILE . . . -149.38 165.11 33.03 Favored 'General case' 0 C--N 1.326 -0.418 0 N-CA-C 109.042 -0.725 . . . . 0.0 109.042 174.586 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 99.3 mttt -132.11 -12.81 3.2 Favored 'General case' 0 C--N 1.327 -0.409 0 N-CA-C 112.469 0.544 . . . . 0.0 112.469 -177.996 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 93' ' ' TYR . . . . . . . . . . . . . 18.1 p90 -146.41 163.45 35.6 Favored 'General case' 0 C--N 1.325 -0.474 0 C-N-CA 120.713 -0.395 . . . . 0.0 110.539 178.873 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 94' ' ' ASN . . . . . . . . . . . . . 6.6 m-80 -108.37 134.52 20.19 Favored Pre-proline 0 C--N 1.325 -0.485 0 N-CA-C 109.497 -0.557 . . . . 0.0 109.497 175.583 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 95' ' ' PRO . . . . . . . . . . . . . 4.6 Cg_exo -77.45 11.85 2.03 Favored 'Trans proline' 0 N--CA 1.462 -0.348 0 C-N-CA 122.689 2.26 . . . . 0.0 111.38 169.919 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 96' ' ' ALA . . . . . 0.56 ' N ' ' HD2' ' A' ' 97' ' ' PRO . . . -61.71 -47.43 92.3 Favored Pre-proline 0 CA--C 1.538 0.505 0 CA-C-N 115.923 -0.58 . . . . 0.0 112.484 -178.594 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 97' ' ' PRO . . . . . 0.56 ' HD2' ' N ' ' A' ' 96' ' ' ALA . 9.5 Cg_endo -53.84 -49.5 16.98 Favored 'Trans proline' 0 C--N 1.357 0.981 0 C-N-CA 122.254 1.969 . . . . 0.0 111.839 174.925 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 98' ' ' ASP . . . . . 0.445 ' HB3' ' HB3' ' A' ' 52' ' ' PRO . 3.1 m-20 -68.71 -28.45 66.85 Favored 'General case' 0 C--N 1.326 -0.413 0 CA-C-N 115.478 -0.783 . . . . 0.0 111.007 -179.214 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 99' ' ' LEU . . . . . . . . . . . . . 3.2 tm? -58.58 -45.94 87.99 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-O 120.979 0.418 . . . . 0.0 109.884 176.092 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 100' ' ' ALA . . . . . . . . . . . . . . . -66.18 -38.88 89.09 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 115.806 -0.634 . . . . 0.0 110.711 179.585 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 31.6 t70 -69.25 -40.99 77.54 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 115.991 -0.55 . . . . 0.0 110.794 179.097 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 102' ' ' ALA . . . . . 0.411 ' HB2' ' HB2' ' A' ' 52' ' ' PRO . . . -65.25 -35.44 81.04 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.665 178.599 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 103' ' ' MET . . . . . . . . . . . . . 50.7 ttm -60.49 -38.9 85.78 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-O 121.241 0.543 . . . . 0.0 109.784 175.769 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 104' ' ' LYS . . . . . . . . . . . . . 82.2 tttt . . . . . 0 C--N 1.325 -0.458 0 CA-C-N 115.018 -0.992 . . . . 0.0 110.89 177.356 . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 81.0 m-20 . . . . . 0 CA--C 1.521 -0.173 0 CA-C-O 120.831 0.348 . . . . 0.0 110.4 . . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 6' ' ' SER . . . . . 0.606 ' HA ' ' HA ' ' A' ' 46' ' ' GLU . 21.8 m -61.47 140.75 58.02 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.003 -0.544 . . . . 0.0 110.519 177.642 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 7' ' ' PHE . . . . . . . . . . . . . 55.5 t80 -58.2 -45.9 86.8 Favored 'General case' 0 C--N 1.329 -0.309 0 N-CA-C 109.754 -0.462 . . . . 0.0 109.754 178.994 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 5.6 p -54.98 -40.61 70.24 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.358 -0.383 . . . . 0.0 111.564 177.0 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -65.04 -51.92 58.78 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.438 -0.346 . . . . 0.0 111.101 -179.131 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 81.0 mt -68.04 -36.84 76.94 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.256 0 CA-C-O 120.847 0.356 . . . . 0.0 110.451 -179.875 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 11' ' ' TYR . . . . . 0.581 ' OH ' ' HA ' ' A' ' 31' ' ' ALA . 55.9 t80 -61.47 -43.55 98.66 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.808 176.272 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 56.1 tptt -58.3 -44.55 88.58 Favored 'General case' 0 C--O 1.235 0.323 0 CA-C-O 121.058 0.456 . . . . 0.0 110.304 178.515 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 44.8 tt0 -64.28 -50.73 66.74 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 115.705 -0.68 . . . . 0.0 110.284 178.28 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 14' ' ' TRP . . . . . . . . . . . . . 66.6 t90 -58.82 -43.97 90.77 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 115.566 -0.743 . . . . 0.0 111.198 179.573 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 15' ' ' TYR . . . . . 0.575 ' CE1' ' HB2' ' A' ' 31' ' ' ALA . 29.1 t80 -56.42 -60.31 3.71 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.318 -0.401 . . . . 0.0 111.38 -179.575 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 44.0 mt-10 -66.19 -25.21 66.83 Favored 'General case' 0 C--N 1.329 -0.304 0 C-N-CA 121.109 -0.236 . . . . 0.0 111.274 -175.075 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 17' ' ' HIS . . . . . . . . . . . . . 47.8 t60 -70.14 -50.16 43.27 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.883 0.373 . . . . 0.0 110.246 175.684 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 14.4 mmmm -74.17 -21.25 59.92 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.86 0.362 . . . . 0.0 110.711 -179.793 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 47.8 tttm -65.54 -22.26 66.69 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 115.972 -0.558 . . . . 0.0 110.634 176.79 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 96.1 mt-30 -88.74 5.22 44.45 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-O 121.334 0.588 . . . . 0.0 110.141 177.483 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 46.7 t -117.19 -41.56 2.75 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.377 0 CA-C-N 115.401 -0.818 . . . . 0.0 109.948 177.81 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 22' ' ' TRP . . . . . . . . . . . . . 29.2 m0 -82.61 -173.28 4.53 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 115.856 -0.611 . . . . 0.0 110.775 178.673 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 13.1 m -96.46 159.37 14.98 Favored 'General case' 0 C--N 1.323 -0.549 0 N-CA-C 109.033 -0.728 . . . . 0.0 109.033 173.873 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 14.9 p -63.5 -45.62 97.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 N-CA-C 111.936 0.347 . . . . 0.0 111.936 -172.258 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -64.2 -49.01 69.1 Favored Glycine 0 C--N 1.332 0.328 0 C-N-CA 120.743 -0.742 . . . . 0.0 112.076 -179.228 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 26' ' ' TYR . . . . . . . . . . . . . 88.4 t80 -57.47 -44.73 85.08 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-O 120.787 0.327 . . . . 0.0 110.735 178.172 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -65.11 -41.82 94.53 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.364 -0.38 . . . . 0.0 110.887 -179.522 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 53.0 m -64.34 -43.99 92.87 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.357 -0.383 . . . . 0.0 111.061 -179.604 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 49.5 mt-10 -62.95 -46.03 89.67 Favored 'General case' 0 C--O 1.233 0.218 0 CA-C-O 120.715 0.293 . . . . 0.0 111.0 179.126 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 9.7 tt -62.42 -40.7 97.4 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.038 -0.528 . . . . 0.0 110.411 179.054 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 31' ' ' ALA . . . . . 0.581 ' HA ' ' OH ' ' A' ' 11' ' ' TYR . . . -64.0 -47.03 81.95 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 115.841 -0.618 . . . . 0.0 111.615 -178.965 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 54.6 tttp -66.94 -29.93 69.93 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-O 120.816 0.341 . . . . 0.0 110.747 -179.255 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 33' ' ' MET . . . . . 0.443 ' SD ' ' HD2' ' A' ' 70' ' ' ARG . 58.0 ttp -59.21 -44.34 92.27 Favored 'General case' 0 C--N 1.329 -0.326 0 N-CA-C 109.701 -0.481 . . . . 0.0 109.701 174.439 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 34' ' ' PHE . . . . . 0.525 ' CD2' HD12 ' A' ' 38' ' ' ILE . 16.5 m-85 -67.24 -38.63 85.52 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 115.74 -0.664 . . . . 0.0 110.919 176.249 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 35' ' ' ASP . . . . . 0.542 ' HA ' ' HB2' ' A' ' 39' ' ' LEU . 21.2 m-20 -60.38 -63.52 1.27 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.737 0.303 . . . . 0.0 111.122 178.749 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 1.4 m-20 -61.42 -50.32 73.3 Favored 'General case' 0 C--N 1.325 -0.487 0 N-CA-C 113.168 0.803 . . . . 0.0 113.168 -171.306 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 20.1 m-20 -93.38 -28.04 16.4 Favored 'General case' 0 C--N 1.324 -0.528 0 N-CA-C 112.661 0.615 . . . . 0.0 112.661 -171.525 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 38' ' ' ILE . . . . . 0.546 HG12 HG13 ' A' ' 58' ' ' VAL . 9.9 mt -106.49 -37.89 4.06 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 N-CA-C 112.717 0.636 . . . . 0.0 112.717 -169.178 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 39' ' ' LEU . . . . . 0.542 ' HB2' ' HA ' ' A' ' 35' ' ' ASP . 0.4 OUTLIER -62.56 -47.71 87.91 Favored Pre-proline 0 CA--C 1.541 0.608 0 N-CA-C 112.375 0.509 . . . . 0.0 112.375 -172.865 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 40' ' ' PRO . . . . . 0.48 ' HD2' ' N ' ' A' ' 39' ' ' LEU . 42.4 Cg_endo -67.48 -7.49 19.35 Favored 'Trans proline' 0 C--N 1.354 0.848 0 C-N-CA 121.743 1.628 . . . . 0.0 112.662 179.284 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 41' ' ' ILE . . . . . 0.551 HG22 HG23 ' A' ' 42' ' ' ILE . 44.0 mm -97.36 -66.49 1.04 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.429 0 CA-C-N 116.307 -0.406 . . . . 0.0 110.667 -179.918 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 42' ' ' ILE . . . . . 0.551 HG23 HG22 ' A' ' 41' ' ' ILE . 10.5 pt -118.42 3.79 7.14 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.224 0 N-CA-C 112.471 0.545 . . . . 0.0 112.471 -174.752 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 43' ' ' GLY . . . . . 0.438 ' HA3' HD22 ' A' ' 39' ' ' LEU . . . -57.12 -38.22 84.57 Favored Glycine 0 C--O 1.235 0.184 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.997 -175.223 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -92.47 10.33 74.35 Favored Glycine 0 N--CA 1.447 -0.603 0 C-N-CA 120.799 -0.715 . . . . 0.0 112.722 -177.757 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 45' ' ' LEU . . . . . 0.459 HD12 ' HA ' ' A' ' 42' ' ' ILE . 85.3 mt -98.1 150.51 21.36 Favored 'General case' 0 C--N 1.325 -0.462 0 N-CA-C 110.121 -0.326 . . . . 0.0 110.121 179.578 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 46' ' ' GLU . . . . . 0.606 ' HA ' ' HA ' ' A' ' 6' ' ' SER . 32.3 mt-10 -86.32 145.32 26.96 Favored 'General case' 0 C--N 1.319 -0.728 0 CA-C-O 121.036 0.446 . . . . 0.0 110.465 177.443 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 14.7 tt -60.22 -23.78 28.64 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.615 0 CA-C-N 115.267 -0.879 . . . . 0.0 112.688 -167.855 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 72.7 mt-30 -88.6 -18.41 28.08 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.94 0.4 . . . . 0.0 110.824 178.729 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 38.6 t70 -100.82 -19.14 16.09 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 116.004 -0.544 . . . . 0.0 111.754 -168.575 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 50' ' ' ILE . . . . . 0.473 HG13 ' O ' ' A' ' 46' ' ' GLU . 67.7 mt -56.27 130.48 18.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-O 121.064 0.459 . . . . 0.0 111.711 -177.597 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 42.6 mt-10 -86.41 152.47 55.04 Favored Pre-proline 0 C--N 1.325 -0.469 0 CA-C-N 115.701 -0.681 . . . . 0.0 110.682 178.962 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 52' ' ' PRO . . . . . . . . . . . . . 19.5 Cg_endo -59.85 -31.99 94.68 Favored 'Trans proline' 0 C--N 1.344 0.305 0 C-N-CA 122.602 2.201 . . . . 0.0 111.441 176.01 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 53' ' ' MET . . . . . . . . . . . . . 87.7 mtp -62.39 -41.54 98.73 Favored 'General case' 0 C--O 1.225 -0.19 0 CA-C-N 116.017 -0.538 . . . . 0.0 110.847 178.352 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 54' ' ' GLN . . . . . 0.427 ' HB3' HG22 ' A' ' 42' ' ' ILE . 63.1 mt-30 -73.92 -39.54 63.75 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 115.967 -0.56 . . . . 0.0 111.347 -176.788 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 55' ' ' LEU . . . . . 0.48 HD23 ' HB2' ' A' ' 99' ' ' LEU . 19.8 tp -67.32 -35.12 78.79 Favored 'General case' 0 C--N 1.321 -0.642 0 CA-C-O 121.208 0.527 . . . . 0.0 109.817 178.913 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 2.6 tm? -75.38 -32.77 60.91 Favored 'General case' 0 C--N 1.329 -0.319 0 N-CA-C 109.577 -0.527 . . . . 0.0 109.577 176.69 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 46.2 tt0 -58.25 -39.82 80.17 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 115.801 -0.636 . . . . 0.0 109.835 174.148 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 58' ' ' VAL . . . . . 0.546 HG13 HG12 ' A' ' 38' ' ' ILE . 54.1 t -56.73 -54.59 27.34 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.39 0 CA-C-N 115.428 -0.805 . . . . 0.0 110.705 173.397 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 59' ' ' ILE . . . . . 0.448 HG23 ' HB1' ' A' ' 71' ' ' ALA . 1.7 mp -59.44 -39.49 79.3 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.417 0 CA-C-N 116.001 -0.545 . . . . 0.0 110.914 179.647 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 25.5 mtm180 -67.31 -29.68 69.32 Favored 'General case' 0 CA--C 1.517 -0.322 0 C-N-CA 121.185 -0.206 . . . . 0.0 111.428 177.028 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 18.1 tpt85 -60.09 -37.88 81.25 Favored 'General case' 0 C--N 1.326 -0.42 0 N-CA-C 109.322 -0.621 . . . . 0.0 109.322 176.757 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 62' ' ' PHE . . . . . . . . . . . . . 84.8 m-85 -68.0 -39.86 83.16 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 115.661 -0.699 . . . . 0.0 110.794 173.538 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 23.6 mt-10 -62.74 -43.19 99.44 Favored 'General case' 0 N--CA 1.462 0.171 0 CA-C-N 116.5 -0.318 . . . . 0.0 111.054 178.742 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -48.04 -42.75 29.17 Favored 'General case' 0 N--CA 1.465 0.297 0 CA-C-N 115.979 -0.555 . . . . 0.0 111.44 174.115 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 40.1 mtm105 -81.15 -29.27 34.75 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 116.426 -0.352 . . . . 0.0 111.339 179.901 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 107.98 21.91 7.52 Favored Glycine 0 N--CA 1.451 -0.347 0 C-N-CA 120.842 -0.694 . . . . 0.0 112.756 178.464 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -97.01 100.94 12.43 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 122.52 -0.4 . . . . 0.0 110.467 179.101 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 68' ' ' MET . . . . . 0.562 ' HA ' ' CE ' ' A' ' 68' ' ' MET . 9.0 mmt -81.13 -57.26 3.6 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-O 120.596 0.236 . . . . 0.0 111.436 -177.708 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 25.4 tt0 -60.53 -42.38 96.36 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-N 116.383 -0.371 . . . . 0.0 110.91 -178.065 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 70' ' ' ARG . . . . . 0.575 ' HA ' ' HB2' ' A' ' 73' ' ' LYS . 28.6 mtm180 -74.73 -15.74 60.76 Favored 'General case' 0 C--N 1.329 -0.302 0 C-N-CA 120.734 -0.386 . . . . 0.0 111.825 -178.823 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 71' ' ' ALA . . . . . 0.448 ' HB1' HG23 ' A' ' 59' ' ' ILE . . . -70.65 -39.61 73.51 Favored 'General case' 0 C--N 1.33 -0.281 0 N-CA-C 109.391 -0.596 . . . . 0.0 109.391 171.917 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 72' ' ' ASN . . . . . . . . . . . . . 58.0 t30 -73.07 -37.43 66.8 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 115.662 -0.699 . . . . 0.0 109.882 176.343 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 73' ' ' LYS . . . . . 0.575 ' HB2' ' HA ' ' A' ' 70' ' ' ARG . 41.8 mttp -58.77 -40.74 84.82 Favored 'General case' 0 N--CA 1.462 0.15 0 CA-C-N 116.315 -0.402 . . . . 0.0 110.691 174.843 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -56.82 -54.14 49.81 Favored 'General case' 0 CA--C 1.519 -0.225 0 N-CA-C 110.204 -0.295 . . . . 0.0 110.204 176.951 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 57.5 ttt180 -54.13 -49.04 70.1 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 115.906 -0.588 . . . . 0.0 111.123 176.882 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 60.3 ttt180 -61.05 -48.19 82.9 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 115.781 -0.645 . . . . 0.0 111.384 -176.604 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 77' ' ' ARG . . . . . 0.421 ' O ' HG23 ' A' ' 81' ' ' VAL . 9.9 mmp_? -68.96 -38.46 79.42 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.976 -178.673 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 78' ' ' CYS . . . . . . . . . . . . . 81.5 m -64.04 -40.09 95.54 Favored 'General case' 0 C--N 1.332 -0.157 0 N-CA-C 109.992 -0.373 . . . . 0.0 109.992 176.503 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . -57.7 -34.43 70.4 Favored Glycine 0 N--CA 1.449 -0.448 0 C-N-CA 121.216 -0.516 . . . . 0.0 111.821 175.094 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 42.1 tt0 -70.45 -38.03 74.42 Favored 'General case' 0 C--N 1.33 -0.271 0 N-CA-C 110.055 -0.35 . . . . 0.0 110.055 176.608 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 81' ' ' VAL . . . . . 0.421 HG23 ' O ' ' A' ' 77' ' ' ARG . 61.6 t -60.82 -45.58 97.73 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.247 0 N-CA-C 109.952 -0.388 . . . . 0.0 109.952 175.353 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 82' ' ' PHE . . . . . 0.511 ' O ' HG13 ' A' ' 86' ' ' ILE . 60.1 m-85 -60.12 -45.39 93.15 Favored 'General case' 0 C--N 1.332 -0.179 0 CA-C-N 116.028 -0.533 . . . . 0.0 110.167 174.725 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 83' ' ' ARG . . . . . 0.492 ' O ' HG23 ' A' ' 87' ' ' VAL . 22.7 ttt180 -59.7 -45.12 93.09 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 115.876 -0.602 . . . . 0.0 110.815 178.577 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 84' ' ' TYR . . . . . . . . . . . . . 27.6 t80 -58.89 -38.77 79.62 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 115.949 -0.569 . . . . 0.0 109.86 177.901 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -69.53 -34.3 74.04 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 115.766 -0.652 . . . . 0.0 111.014 178.339 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 86' ' ' ILE . . . . . 0.511 HG13 ' O ' ' A' ' 82' ' ' PHE . 77.5 mt -66.57 -43.8 90.41 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 CA-C-O 120.966 0.412 . . . . 0.0 109.983 175.698 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 87' ' ' VAL . . . . . 0.492 HG23 ' O ' ' A' ' 83' ' ' ARG . 98.4 t -61.89 -48.85 86.68 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 115.721 -0.672 . . . . 0.0 110.669 177.544 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 88' ' ' THR . . . . . . . . . . . . . 18.2 p -69.33 -20.34 63.87 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.147 179.671 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . 89.03 27.05 24.66 Favored Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 120.955 -0.64 . . . . 0.0 113.051 176.781 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 64.9 mtt180 -98.62 -28.77 13.4 Favored 'General case' 0 C--N 1.322 -0.608 0 CA-C-O 121.064 0.459 . . . . 0.0 110.628 179.344 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . -120.25 115.81 24.34 Favored 'General case' 0 C--N 1.321 -0.641 0 CA-C-N 116.325 -0.398 . . . . 0.0 110.435 179.775 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 49.8 tttm -83.63 -21.78 32.4 Favored 'General case' 0 C--N 1.324 -0.543 0 CA-C-O 121.231 0.539 . . . . 0.0 109.927 -179.704 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 93' ' ' TYR . . . . . . . . . . . . . 90.2 t80 -147.08 142.38 27.35 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-N 115.473 -0.785 . . . . 0.0 109.562 179.288 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 94' ' ' ASN . . . . . . . . . . . . . 24.6 p-10 -120.27 132.47 24.1 Favored Pre-proline 0 C--N 1.322 -0.593 0 CA-C-O 120.858 0.361 . . . . 0.0 110.181 178.095 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 95' ' ' PRO . . . . . . . . . . . . . 69.1 Cg_endo -76.62 33.47 0.42 Allowed 'Trans proline' 0 CA--C 1.532 0.377 0 C-N-CA 122.827 2.351 . . . . 0.0 112.812 -179.212 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 96' ' ' ALA . . . . . 0.527 ' N ' ' HD2' ' A' ' 97' ' ' PRO . . . -67.38 -47.37 48.52 Favored Pre-proline 0 CA--C 1.537 0.469 0 CA-C-N 116.345 -0.389 . . . . 0.0 111.802 179.674 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 97' ' ' PRO . . . . . 0.527 ' HD2' ' N ' ' A' ' 96' ' ' ALA . 28.5 Cg_endo -64.12 -33.23 62.06 Favored 'Trans proline' 0 C--N 1.356 0.928 0 C-N-CA 121.871 1.714 . . . . 0.0 111.832 174.654 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 6.5 m-20 -68.67 -39.12 80.74 Favored 'General case' 0 C--N 1.326 -0.413 0 CA-C-N 115.99 -0.55 . . . . 0.0 109.943 178.497 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 99' ' ' LEU . . . . . 0.48 ' HB2' HD23 ' A' ' 55' ' ' LEU . 2.9 tm? -57.98 -43.98 86.84 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 115.337 -0.847 . . . . 0.0 109.592 172.906 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 100' ' ' ALA . . . . . 0.582 ' O ' ' HG3' ' A' ' 104' ' ' LYS . . . -58.96 -44.36 91.45 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 115.746 -0.661 . . . . 0.0 110.713 178.63 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 101' ' ' ASP . . . . . 0.706 ' HA ' ' HD2' ' A' ' 104' ' ' LYS . 0.4 OUTLIER -64.16 -33.22 75.3 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.325 -0.398 . . . . 0.0 111.759 179.84 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -69.3 -30.5 68.6 Favored 'General case' 0 C--N 1.324 -0.531 0 CA-C-O 121.241 0.543 . . . . 0.0 110.283 176.638 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 103' ' ' MET . . . . . . . . . . . . . 54.1 ttm -78.16 -23.23 47.77 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-N 115.683 -0.689 . . . . 0.0 110.393 177.552 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 104' ' ' LYS . . . . . 0.706 ' HD2' ' HA ' ' A' ' 101' ' ' ASP . 79.1 mttt . . . . . 0 C--N 1.328 -0.334 0 CA-C-O 121.321 0.582 . . . . 0.0 110.335 177.557 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 85.4 m-20 . . . . . 0 N--CA 1.465 0.285 0 CA-C-O 121.175 0.512 . . . . 0.0 110.175 . . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 1.6 m -58.37 140.45 53.59 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-N 115.518 -0.765 . . . . 0.0 110.462 178.629 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 7' ' ' PHE . . . . . . . . . . . . . 51.8 t80 -53.25 -48.8 67.94 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.5 -0.318 . . . . 0.0 110.698 -178.98 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 59.3 m -57.23 -32.58 66.69 Favored 'General case' 0 N--CA 1.464 0.253 0 N-CA-C 112.048 0.388 . . . . 0.0 112.048 -179.254 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -69.55 -50.4 45.23 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-O 121.312 0.577 . . . . 0.0 111.239 -176.811 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 10' ' ' ILE . . . . . 0.516 HG21 ' HB2' ' A' ' 85' ' ' ALA . 68.9 mt -74.62 -35.64 38.44 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.619 0 CA-C-N 115.657 -0.701 . . . . 0.0 110.174 -178.841 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 6.4 t80 -58.91 -42.3 89.28 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 115.839 -0.619 . . . . 0.0 110.322 172.363 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 23.1 tptm -55.47 -47.71 75.68 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.291 -0.413 . . . . 0.0 110.491 176.831 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 11.0 tp10 -66.65 -42.65 86.33 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 115.832 -0.622 . . . . 0.0 110.46 -177.679 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 14' ' ' TRP . . . . . 0.628 ' HH2' ' HD3' ' A' ' 77' ' ' ARG . 67.1 t90 -63.12 -47.94 80.65 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 115.589 -0.732 . . . . 0.0 110.688 177.549 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 15' ' ' TYR . . . . . 0.541 ' CE1' ' HB2' ' A' ' 31' ' ' ALA . 37.4 t80 -61.01 -47.64 85.51 Favored 'General case' 0 C--O 1.224 -0.273 0 CA-C-N 116.496 -0.32 . . . . 0.0 111.051 178.399 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 33.2 tt0 -61.03 -28.64 69.2 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 116.432 -0.349 . . . . 0.0 110.92 -176.086 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 17' ' ' HIS . . . . . . . . . . . . . 76.7 t60 -79.18 -45.69 19.41 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.847 0.356 . . . . 0.0 110.346 176.065 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 37.8 mmtm -66.64 -25.62 66.67 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 116.287 -0.415 . . . . 0.0 111.359 -179.863 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 60.4 tttm -60.47 -24.58 65.37 Favored 'General case' 0 C--N 1.323 -0.545 0 CA-C-N 115.697 -0.683 . . . . 0.0 110.941 178.868 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 96.9 mt-30 -73.66 -24.26 59.96 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.651 178.4 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 41.9 t -99.26 -42.04 10.34 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.398 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.108 -175.565 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 22' ' ' TRP . . . . . . . . . . . . . 41.3 m0 -75.95 155.82 34.75 Favored 'General case' 0 C--N 1.323 -0.548 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.175 -177.441 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 12.5 m -69.44 145.86 52.45 Favored 'General case' 0 C--N 1.324 -0.509 0 N-CA-C 108.966 -0.753 . . . . 0.0 108.966 172.5 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 47.8 t -57.33 -45.62 85.21 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.415 0 N-CA-C 112.194 0.442 . . . . 0.0 112.194 -172.4 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -58.86 -50.16 70.47 Favored Glycine 0 N--CA 1.45 -0.415 0 C-N-CA 120.671 -0.776 . . . . 0.0 112.025 177.945 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 26' ' ' TYR . . . . . . . . . . . . . 82.5 t80 -63.08 -42.96 99.75 Favored 'General case' 0 C--N 1.326 -0.429 0 C-N-CA 122.37 0.268 . . . . 0.0 111.075 177.968 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -62.95 -48.69 77.79 Favored 'General case' 0 C--N 1.332 -0.191 0 CA-C-O 120.82 0.343 . . . . 0.0 111.052 -177.08 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 20.0 m -66.27 -36.5 83.14 Favored 'General case' 0 C--N 1.323 -0.554 0 CA-C-N 116.303 -0.408 . . . . 0.0 110.873 -178.215 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 42.1 tt0 -68.93 -46.7 67.57 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.371 -0.377 . . . . 0.0 110.485 179.385 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 30' ' ' LEU . . . . . 0.639 ' O ' ' HG2' ' A' ' 33' ' ' MET . 10.2 tt -59.83 -41.66 91.81 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 116.048 -0.524 . . . . 0.0 109.682 177.719 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 31' ' ' ALA . . . . . 0.541 ' HB2' ' CE1' ' A' ' 15' ' ' TYR . . . -66.85 -35.56 80.32 Favored 'General case' 0 C--N 1.322 -0.622 0 CA-C-N 115.896 -0.593 . . . . 0.0 111.549 -179.485 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 32' ' ' LYS . . . . . 0.504 ' HA ' ' HB3' ' A' ' 35' ' ' ASP . 17.6 tttm -85.82 -14.47 44.97 Favored 'General case' 0 N--CA 1.449 -0.513 0 C-N-CA 119.583 -0.847 . . . . 0.0 111.933 -176.121 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 33' ' ' MET . . . . . 0.639 ' HG2' ' O ' ' A' ' 30' ' ' LEU . 24.2 ptt? -76.28 -31.5 58.28 Favored 'General case' 0 C--N 1.328 -0.351 0 N-CA-C 108.316 -0.994 . . . . 0.0 108.316 171.23 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 34' ' ' PHE . . . . . 0.47 ' CG ' HD12 ' A' ' 38' ' ' ILE . 9.3 m-85 -66.52 -41.39 88.87 Favored 'General case' 0 C--O 1.225 -0.225 0 CA-C-N 115.739 -0.664 . . . . 0.0 109.28 168.923 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 35' ' ' ASP . . . . . 0.613 ' HA ' ' HG ' ' A' ' 39' ' ' LEU . 27.9 t70 -58.22 -72.56 0.09 Allowed 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 115.311 -0.859 . . . . 0.0 111.301 177.881 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 6.3 m-20 -63.37 -32.24 73.61 Favored 'General case' 0 N--CA 1.466 0.368 0 N-CA-C 113.406 0.891 . . . . 0.0 113.406 -171.535 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 37' ' ' ASP . . . . . 0.503 ' HB3' ' HG2' ' A' ' 61' ' ' ARG . 14.7 m-20 -102.4 -44.75 5.29 Favored 'General case' 0 C--N 1.325 -0.498 0 C-N-CA 120.539 -0.464 . . . . 0.0 112.222 -173.158 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 38' ' ' ILE . . . . . 0.553 HG12 HG13 ' A' ' 58' ' ' VAL . 20.7 mt -89.64 -34.68 6.88 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 N-CA-C 112.651 0.612 . . . . 0.0 112.651 -170.376 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 39' ' ' LEU . . . . . 0.613 ' HG ' ' HA ' ' A' ' 35' ' ' ASP . 30.1 mt -64.81 -44.58 73.24 Favored Pre-proline 0 CA--C 1.535 0.379 0 N-CA-C 112.653 0.612 . . . . 0.0 112.653 -175.312 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 40' ' ' PRO . . . . . 0.42 ' HD3' ' HB2' ' A' ' 39' ' ' LEU . 31.2 Cg_exo -62.26 -14.7 39.96 Favored 'Trans proline' 0 C--N 1.353 0.808 0 C-N-CA 121.955 1.77 . . . . 0.0 112.508 174.864 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 41' ' ' ILE . . . . . 0.767 HG22 HG23 ' A' ' 42' ' ' ILE . 50.8 mm -95.07 -65.14 1.18 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.357 0 CA-C-N 116.561 -0.291 . . . . 0.0 111.323 -177.983 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 42' ' ' ILE . . . . . 0.767 HG23 HG22 ' A' ' 41' ' ' ILE . 17.2 pt -128.93 9.39 2.7 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.234 0 N-CA-C 111.734 0.272 . . . . 0.0 111.734 -176.14 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 43' ' ' GLY . . . . . 0.471 ' HA3' ' HA ' ' A' ' 39' ' ' LEU . . . -57.67 -39.12 90.65 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.773 -0.727 . . . . 0.0 112.754 -174.627 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -97.98 16.24 60.48 Favored Glycine 0 N--CA 1.445 -0.743 0 C-N-CA 120.548 -0.834 . . . . 0.0 112.769 -177.206 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 45' ' ' LEU . . . . . 0.416 HD12 ' HA ' ' A' ' 42' ' ' ILE . 95.8 mt -96.35 149.77 21.32 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 116.88 0.34 . . . . 0.0 110.696 178.782 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 30.6 mt-10 -73.24 128.83 36.6 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-N 115.96 -0.564 . . . . 0.0 109.817 177.761 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 47' ' ' ILE . . . . . 0.403 HD11 ' HA ' ' A' ' 82' ' ' PHE . 16.2 tt -60.82 -20.41 21.58 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.43 0 CA-C-O 120.978 0.418 . . . . 0.0 112.124 -173.314 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 69.0 mt-30 -80.77 -25.02 38.21 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 116.397 -0.365 . . . . 0.0 110.949 -179.516 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 33.2 t70 -133.07 77.86 1.76 Allowed 'General case' 0 C--N 1.324 -0.528 0 CA-C-O 121.515 0.674 . . . . 0.0 110.693 -175.535 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 50' ' ' ILE . . . . . . . . . . . . . 72.7 mt -119.65 134.31 63.63 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.673 0 CA-C-N 115.233 -0.894 . . . . 0.0 109.205 176.465 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 51' ' ' GLU . . . . . 0.724 ' HB2' ' HB2' ' A' ' 54' ' ' GLN . 42.4 mm-40 -66.35 129.04 94.15 Favored Pre-proline 0 C--N 1.325 -0.478 0 N-CA-C 110.071 -0.344 . . . . 0.0 110.071 178.56 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 52' ' ' PRO . . . . . . . . . . . . . 49.9 Cg_exo -56.47 -31.56 86.34 Favored 'Trans proline' 0 C--N 1.342 0.196 0 C-N-CA 122.635 2.223 . . . . 0.0 111.273 178.036 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 53' ' ' MET . . . . . . . . . . . . . 37.9 ttm -79.48 -24.87 42.05 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-N 115.482 -0.781 . . . . 0.0 110.339 179.899 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 54' ' ' GLN . . . . . 0.724 ' HB2' ' HB2' ' A' ' 51' ' ' GLU . 10.0 mt-30 -78.21 -34.16 49.53 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-O 120.97 0.414 . . . . 0.0 110.228 175.283 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 55' ' ' LEU . . . . . 0.481 HD23 ' HB2' ' A' ' 99' ' ' LEU . 32.8 tp -66.88 -34.79 78.57 Favored 'General case' 0 C--N 1.324 -0.521 0 N-CA-C 108.812 -0.81 . . . . 0.0 108.812 172.835 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 56' ' ' LEU . . . . . 0.443 ' O ' ' HB2' ' A' ' 60' ' ' ARG . 2.8 tm? -68.25 -32.07 71.99 Favored 'General case' 0 N--CA 1.453 -0.321 0 CA-C-N 115.184 -0.916 . . . . 0.0 109.592 174.176 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 57' ' ' GLU . . . . . 0.431 ' OE1' HG23 ' A' ' 41' ' ' ILE . 40.7 tt0 -64.04 -34.13 77.31 Favored 'General case' 0 C--N 1.33 -0.239 0 N-CA-C 110.131 -0.322 . . . . 0.0 110.131 177.312 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 58' ' ' VAL . . . . . 0.553 HG13 HG12 ' A' ' 38' ' ' ILE . 25.4 t -61.01 -54.0 41.5 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.235 0 CA-C-O 121.17 0.509 . . . . 0.0 110.526 173.745 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 59' ' ' ILE . . . . . . . . . . . . . 1.7 mp -61.83 -38.65 81.05 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 CA-C-N 115.937 -0.574 . . . . 0.0 110.25 177.5 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 60' ' ' ARG . . . . . 0.443 ' HB2' ' O ' ' A' ' 56' ' ' LEU . 0.0 OUTLIER -60.99 -39.0 88.01 Favored 'General case' 0 C--O 1.221 -0.426 0 CA-C-N 115.591 -0.731 . . . . 0.0 109.841 178.223 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 61' ' ' ARG . . . . . 0.514 ' HB3' ' O ' ' A' ' 58' ' ' VAL . 9.9 tpt180 -56.6 -48.66 76.95 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 115.627 -0.715 . . . . 0.0 111.089 177.943 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 62' ' ' PHE . . . . . . . . . . . . . 66.1 m-85 -66.73 -46.91 73.97 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 116.515 -0.311 . . . . 0.0 111.405 179.387 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 43.4 mt-10 -65.32 -29.37 70.1 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.783 0.325 . . . . 0.0 111.336 179.554 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 33.2 t70 -68.19 -33.35 74.27 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.161 178.457 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 19.8 mtm180 -82.9 -12.73 57.14 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 115.91 -0.586 . . . . 0.0 111.017 176.323 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 96.64 5.29 58.89 Favored Glycine 0 N--CA 1.448 -0.532 0 C-N-CA 120.485 -0.864 . . . . 0.0 112.222 177.875 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 67' ' ' ALA . . . . . 0.665 ' HB1' ' HB2' ' A' ' 70' ' ' ARG . . . -83.86 80.56 9.11 Favored 'General case' 0 C--N 1.323 -0.569 0 N-CA-C 109.536 -0.542 . . . . 0.0 109.536 177.457 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 68' ' ' MET . . . . . . . . . . . . . 41.9 mmm -72.17 -38.77 69.07 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-N 115.608 -0.724 . . . . 0.0 110.781 -173.664 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 69' ' ' GLU . . . . . 0.406 ' HG3' ' H ' ' A' ' 69' ' ' GLU . 0.0 OUTLIER -75.3 -34.04 61.25 Favored 'General case' 0 C--N 1.321 -0.632 0 CA-C-N 115.742 -0.663 . . . . 0.0 110.33 -179.444 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 70' ' ' ARG . . . . . 0.665 ' HB2' ' HB1' ' A' ' 67' ' ' ALA . 66.3 mtt-85 -76.18 -21.4 56.54 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.02 177.103 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -68.38 -52.65 30.65 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-O 120.885 0.374 . . . . 0.0 110.075 175.25 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 72' ' ' ASN . . . . . . . . . . . . . 86.0 m-20 -57.89 -37.11 73.38 Favored 'General case' 0 N--CA 1.464 0.249 0 CA-C-N 115.984 -0.553 . . . . 0.0 110.321 173.708 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 73' ' ' LYS . . . . . 0.589 ' HB2' ' HA ' ' A' ' 70' ' ' ARG . 12.3 mptt -59.18 -57.6 12.32 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 115.826 -0.624 . . . . 0.0 110.469 176.332 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -50.83 -47.25 60.21 Favored 'General case' 0 N--CA 1.463 0.222 0 O-C-N 123.409 0.443 . . . . 0.0 110.93 -179.32 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 77.9 ttt180 -55.35 -51.32 67.17 Favored 'General case' 0 C--N 1.323 -0.554 0 CA-C-N 115.426 -0.806 . . . . 0.0 111.42 179.448 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 56.4 ttt-85 -71.96 -39.9 69.03 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.141 -176.873 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 77' ' ' ARG . . . . . 0.628 ' HD3' ' HH2' ' A' ' 14' ' ' TRP . 2.5 mmp_? -62.91 -40.83 98.79 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.613 -179.225 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 78' ' ' CYS . . . . . . . . . . . . . 74.1 m -64.43 -36.73 85.12 Favored 'General case' 0 C--N 1.333 -0.115 0 CA-C-N 116.587 -0.279 . . . . 0.0 110.509 177.717 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . -55.54 -39.36 74.22 Favored Glycine 0 C--N 1.333 0.396 0 C-N-CA 121.026 -0.607 . . . . 0.0 111.829 174.609 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 39.7 mt-10 -64.97 -42.1 94.87 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.479 0.18 . . . . 0.0 110.913 175.33 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 60.3 t -60.31 -43.54 93.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-O 120.958 0.408 . . . . 0.0 110.254 178.278 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 82' ' ' PHE . . . . . 0.531 ' HB3' ' HB3' ' A' ' 94' ' ' ASN . 25.5 m-85 -59.84 -48.06 83.23 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 115.781 -0.645 . . . . 0.0 110.663 177.069 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 83' ' ' ARG . . . . . 0.501 ' O ' HG23 ' A' ' 87' ' ' VAL . 43.1 ttm180 -64.59 -40.52 95.66 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.845 179.509 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 84' ' ' TYR . . . . . . . . . . . . . 18.3 t80 -57.28 -39.89 76.63 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-O 121.303 0.573 . . . . 0.0 109.708 177.719 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 85' ' ' ALA . . . . . 0.516 ' HB2' HG21 ' A' ' 10' ' ' ILE . . . -69.37 -39.18 78.22 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 115.511 -0.768 . . . . 0.0 111.354 177.826 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 86' ' ' ILE . . . . . 0.487 HG13 ' O ' ' A' ' 82' ' ' PHE . 87.1 mt -62.7 -46.36 96.55 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.529 0 CA-C-O 120.787 0.327 . . . . 0.0 110.375 178.565 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 87' ' ' VAL . . . . . 0.501 HG23 ' O ' ' A' ' 83' ' ' ARG . 59.9 t -63.03 -39.74 86.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.154 -0.476 . . . . 0.0 111.157 -179.997 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 88' ' ' THR . . . . . . . . . . . . . 23.7 p -80.99 -0.45 39.62 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 116.307 -0.406 . . . . 0.0 111.73 -177.556 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . 71.16 34.52 64.46 Favored Glycine 0 C--N 1.33 0.214 0 C-N-CA 120.831 -0.7 . . . . 0.0 112.243 179.926 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 90' ' ' ARG . . . . . 0.45 ' HA ' ' HE ' ' A' ' 90' ' ' ARG . 1.7 mmp_? -110.91 -13.44 14.12 Favored 'General case' 0 C--N 1.32 -0.691 0 CA-C-O 120.823 0.344 . . . . 0.0 110.758 -179.816 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . -145.9 154.97 42.55 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.604 -0.271 . . . . 0.0 110.493 177.836 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 63.0 mttp -97.62 -36.57 10.23 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.641 -0.254 . . . . 0.0 111.64 -179.389 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 93' ' ' TYR . . . . . . . . . . . . . 12.2 p90 -147.19 173.09 12.86 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-O 120.656 0.265 . . . . 0.0 110.866 -174.443 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 94' ' ' ASN . . . . . 0.531 ' HB3' ' HB3' ' A' ' 82' ' ' PHE . 7.4 p30 -119.99 130.93 24.6 Favored Pre-proline 0 C--N 1.326 -0.423 0 CA-C-N 116.269 -0.423 . . . . 0.0 109.981 176.053 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 95' ' ' PRO . . . . . 0.451 ' HD3' ' HA ' ' A' ' 94' ' ' ASN . 4.2 Cg_exo -75.94 26.36 0.41 Allowed 'Trans proline' 0 CA--C 1.53 0.281 0 C-N-CA 123.178 2.585 . . . . 0.0 112.661 179.544 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 96' ' ' ALA . . . . . 0.574 ' N ' ' HD2' ' A' ' 97' ' ' PRO . . . -65.0 -46.35 74.26 Favored Pre-proline 0 CA--C 1.537 0.461 0 N-CA-C 112.482 0.549 . . . . 0.0 112.482 -178.116 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 97' ' ' PRO . . . . . 0.574 ' HD2' ' N ' ' A' ' 96' ' ' ALA . 11.5 Cg_endo -56.0 -42.5 66.12 Favored 'Trans proline' 0 C--N 1.355 0.878 0 C-N-CA 122.109 1.872 . . . . 0.0 112.263 175.616 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 26.8 m-20 -70.97 -32.97 69.98 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.379 179.891 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 99' ' ' LEU . . . . . 0.481 ' HB2' HD23 ' A' ' 55' ' ' LEU . 2.5 tm? -58.63 -46.57 86.8 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 115.654 -0.703 . . . . 0.0 110.189 176.348 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 100' ' ' ALA . . . . . . . . . . . . . . . -68.39 -33.46 74.28 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.823 179.915 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 35.3 t70 -68.0 -46.57 70.9 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 115.789 -0.641 . . . . 0.0 110.878 -179.328 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -66.13 -36.61 83.59 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-N 115.952 -0.567 . . . . 0.0 110.872 178.603 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 103' ' ' MET . . . . . . . . . . . . . 47.4 ttm -64.26 -31.31 72.46 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 115.858 -0.61 . . . . 0.0 110.612 178.758 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 104' ' ' LYS . . . . . . . . . . . . . 6.8 ttpm? . . . . . 0 C--N 1.327 -0.392 0 CA-C-N 115.702 -0.681 . . . . 0.0 111.101 -177.325 . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 45.8 m-80 . . . . . 0 CA--C 1.517 -0.296 0 CA-C-O 120.57 0.224 . . . . 0.0 110.665 . . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 12.3 t -66.11 139.45 58.16 Favored 'General case' 0 N--CA 1.449 -0.511 0 N-CA-C 109.495 -0.557 . . . . 0.0 109.495 -179.438 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 7' ' ' PHE . . . . . . . . . . . . . 31.8 t80 -57.38 -37.56 72.85 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 115.931 -0.577 . . . . 0.0 110.855 -176.545 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 13.4 p -61.61 -39.47 91.34 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.523 -0.308 . . . . 0.0 111.416 179.818 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -65.39 -51.43 60.45 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.132 -0.485 . . . . 0.0 111.039 -178.133 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 10' ' ' ILE . . . . . 0.544 HG12 HH11 ' A' ' 90' ' ' ARG . 52.9 mt -69.1 -34.38 63.33 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.437 0 CA-C-N 115.915 -0.584 . . . . 0.0 110.675 -178.566 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 29.1 t80 -60.63 -39.08 86.92 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.016 -0.538 . . . . 0.0 110.635 175.101 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 23.8 tptm -62.53 -46.31 88.96 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.322 -0.399 . . . . 0.0 110.302 179.576 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 45.0 mt-10 -59.47 -49.05 79.28 Favored 'General case' 0 C--O 1.234 0.242 0 CA-C-O 121.171 0.51 . . . . 0.0 110.442 177.447 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 14' ' ' TRP . . . . . . . . . . . . . 57.4 t90 -58.56 -52.28 66.34 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 115.252 -0.886 . . . . 0.0 111.37 -179.718 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 15' ' ' TYR . . . . . 0.444 ' CE1' ' HB2' ' A' ' 31' ' ' ALA . 39.6 t80 -63.69 -51.24 65.94 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.42 -0.354 . . . . 0.0 111.584 -177.997 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -58.89 -38.07 78.02 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.994 0.426 . . . . 0.0 110.765 -175.376 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 17' ' ' HIS . . . . . . . . . . . . . 51.5 t60 -70.24 -53.2 18.0 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 116.029 -0.532 . . . . 0.0 111.312 179.91 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 47.1 mtpt -80.4 -1.6 42.05 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-O 120.749 0.309 . . . . 0.0 111.64 -175.003 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 35.1 ttpt -65.0 -24.59 67.55 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-O 121.138 0.494 . . . . 0.0 109.942 172.702 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 83.0 mt-30 -78.02 -20.54 52.31 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 115.938 -0.574 . . . . 0.0 110.161 177.004 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 35.7 t -87.65 -42.1 14.9 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 CA-C-N 115.686 -0.688 . . . . 0.0 110.904 -174.802 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 22' ' ' TRP . . . . . . . . . . . . . 16.0 m0 -90.55 165.19 13.9 Favored 'General case' 0 C--N 1.32 -0.697 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.633 -178.582 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 12.9 m -68.85 142.63 54.78 Favored 'General case' 0 C--N 1.323 -0.561 0 N-CA-C 108.748 -0.834 . . . . 0.0 108.748 171.18 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 7.3 p -61.83 -31.24 50.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 C-N-CA 121.001 -0.279 . . . . 0.0 111.316 -173.779 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -64.2 -47.04 88.99 Favored Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.751 -0.738 . . . . 0.0 111.645 176.402 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 26' ' ' TYR . . . . . . . . . . . . . 89.7 t80 -67.5 -43.68 80.32 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-O 120.748 0.309 . . . . 0.0 110.391 178.437 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -60.6 -45.7 93.02 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 115.952 -0.567 . . . . 0.0 111.187 -178.498 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 24.7 m -69.34 -37.05 77.51 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-N 116.533 -0.303 . . . . 0.0 111.11 -178.834 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 35.1 tt0 -64.87 -46.9 79.88 Favored 'General case' 0 C--O 1.232 0.161 0 CA-C-O 120.908 0.385 . . . . 0.0 110.181 177.564 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 10.2 tt -60.97 -47.94 84.11 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 115.813 -0.63 . . . . 0.0 110.175 179.594 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 31' ' ' ALA . . . . . 0.444 ' HB2' ' CE1' ' A' ' 15' ' ' TYR . . . -65.93 -38.78 89.56 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 115.902 -0.59 . . . . 0.0 111.621 -178.212 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 32' ' ' LYS . . . . . 0.514 ' HA ' ' HD2' ' A' ' 32' ' ' LYS . 17.2 tptt -67.04 -44.17 80.9 Favored 'General case' 0 C--N 1.33 -0.273 0 C-N-CA 120.792 -0.363 . . . . 0.0 110.38 -177.898 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 33' ' ' MET . . . . . . . . . . . . . 48.1 ttp -62.39 -40.06 95.25 Favored 'General case' 0 C--N 1.322 -0.592 0 CA-C-N 115.931 -0.577 . . . . 0.0 109.874 176.943 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 34' ' ' PHE . . . . . 0.404 ' O ' ' HB ' ' A' ' 38' ' ' ILE . 6.6 t80 -62.38 -49.96 73.46 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 115.321 -0.854 . . . . 0.0 110.637 -179.311 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 35' ' ' ASP . . . . . 0.54 ' HA ' ' HB2' ' A' ' 39' ' ' LEU . 0.9 OUTLIER -72.45 -41.83 65.69 Favored 'General case' 0 C--N 1.33 -0.261 0 C-N-CA 120.149 -0.621 . . . . 0.0 110.775 -177.581 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 37.4 t70 -64.02 -28.22 69.65 Favored 'General case' 0 C--N 1.328 -0.334 0 N-CA-C 112.202 0.445 . . . . 0.0 112.202 -173.468 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 37' ' ' ASP . . . . . 0.529 ' HB3' ' HG2' ' A' ' 61' ' ' ARG . 33.7 m-20 -113.79 -47.72 2.96 Favored 'General case' 0 C--N 1.323 -0.558 0 N-CA-C 112.307 0.484 . . . . 0.0 112.307 179.913 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 38' ' ' ILE . . . . . 0.582 HG12 HG13 ' A' ' 58' ' ' VAL . 16.9 mt -81.69 -29.05 10.12 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.532 0 N-CA-C 112.326 0.491 . . . . 0.0 112.326 -169.888 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 39' ' ' LEU . . . . . 0.54 ' HB2' ' HA ' ' A' ' 35' ' ' ASP . 0.3 OUTLIER -64.15 -49.33 74.1 Favored Pre-proline 0 CA--C 1.537 0.474 0 C-N-CA 120.714 -0.394 . . . . 0.0 111.53 -174.906 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 27.8 Cg_exo -63.78 -11.32 26.1 Favored 'Trans proline' 0 C--N 1.352 0.738 0 C-N-CA 121.966 1.777 . . . . 0.0 112.682 177.954 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 41' ' ' ILE . . . . . 0.558 HG22 HG23 ' A' ' 42' ' ' ILE . 43.2 mm -92.91 -57.35 4.4 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.615 -0.266 . . . . 0.0 111.363 -177.695 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 42' ' ' ILE . . . . . 0.558 HG23 HG22 ' A' ' 41' ' ' ILE . 12.4 pt -130.43 5.17 2.17 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.202 0 N-CA-C 112.605 0.594 . . . . 0.0 112.605 -175.343 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 43' ' ' GLY . . . . . 0.414 ' HA3' HD13 ' A' ' 39' ' ' LEU . . . -57.54 -36.41 77.6 Favored Glycine 0 CA--C 1.519 0.295 0 C-N-CA 120.825 -0.703 . . . . 0.0 113.206 -174.381 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -96.62 12.99 65.91 Favored Glycine 0 N--CA 1.45 -0.417 0 C-N-CA 120.492 -0.861 . . . . 0.0 112.973 -177.921 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 96.7 mt -96.81 156.7 16.24 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 116.954 0.377 . . . . 0.0 110.836 -178.885 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 7.7 mm-40 -73.24 129.03 37.16 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-N 115.701 -0.681 . . . . 0.0 109.467 174.9 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 47' ' ' ILE . . . . . 0.505 HD13 ' HB2' ' A' ' 85' ' ' ALA . 13.8 tt -65.17 -18.12 23.21 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.599 0 CA-C-O 121.315 0.579 . . . . 0.0 110.693 -177.991 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 96.7 mt-30 -81.56 -16.33 52.01 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 115.78 -0.646 . . . . 0.0 110.775 177.854 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 25.9 t70 -144.22 81.98 1.69 Allowed 'General case' 0 C--N 1.327 -0.397 0 CA-C-O 121.24 0.543 . . . . 0.0 111.244 -176.722 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 50' ' ' ILE . . . . . . . . . . . . . 72.5 mt -118.91 130.38 73.81 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.646 0 CA-C-N 115.53 -0.759 . . . . 0.0 109.316 174.098 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 51' ' ' GLU . . . . . 0.795 ' HB2' ' HB2' ' A' ' 54' ' ' GLN . 9.8 mt-10 -66.79 144.0 98.35 Favored Pre-proline 0 C--N 1.326 -0.429 0 CA-C-N 116.338 -0.392 . . . . 0.0 110.482 -176.063 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 52' ' ' PRO . . . . . . . . . . . . . 31.6 Cg_exo -58.92 -41.26 63.87 Favored 'Trans proline' 0 C--N 1.34 0.103 0 C-N-CA 122.234 1.956 . . . . 0.0 111.529 178.105 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 53' ' ' MET . . . . . 0.516 ' HA ' ' HB3' ' A' ' 56' ' ' LEU . 66.7 mtt -80.52 -8.33 59.54 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.66 -179.98 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 54' ' ' GLN . . . . . 0.795 ' HB2' ' HB2' ' A' ' 51' ' ' GLU . 41.4 tp60 -83.92 -46.81 11.7 Favored 'General case' 0 C--N 1.326 -0.421 0 N-CA-C 108.855 -0.795 . . . . 0.0 108.855 176.76 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 26.6 tp -67.01 -30.82 71.03 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 115.446 -0.797 . . . . 0.0 109.047 173.843 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 56' ' ' LEU . . . . . 0.516 ' HB3' ' HA ' ' A' ' 53' ' ' MET . 2.0 tm? -67.06 -32.65 73.97 Favored 'General case' 0 C--O 1.223 -0.34 0 CA-C-N 115.683 -0.689 . . . . 0.0 109.583 174.282 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 57' ' ' GLU . . . . . 0.458 ' HG2' HD12 ' A' ' 41' ' ' ILE . 36.3 tt0 -61.97 -35.21 77.8 Favored 'General case' 0 C--N 1.328 -0.33 0 N-CA-C 109.971 -0.381 . . . . 0.0 109.971 175.966 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 58' ' ' VAL . . . . . 0.582 HG13 HG12 ' A' ' 38' ' ' ILE . 85.5 t -61.35 -56.67 16.31 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.393 0 CA-C-O 121.098 0.475 . . . . 0.0 110.919 172.835 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 59' ' ' ILE . . . . . . . . . . . . . 1.8 mp -56.39 -45.23 81.59 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.408 0 CA-C-N 116.022 -0.536 . . . . 0.0 110.327 178.765 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 60' ' ' ARG . . . . . 0.4 HH11 ' HD3' ' A' ' 60' ' ' ARG . 43.4 ttt-85 -64.59 -34.87 79.27 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 115.539 -0.755 . . . . 0.0 110.702 -179.442 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 61' ' ' ARG . . . . . 0.578 ' HB3' ' O ' ' A' ' 58' ' ' VAL . 8.8 tpt180 -52.39 -43.33 64.67 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 115.82 -0.627 . . . . 0.0 110.195 175.349 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 62' ' ' PHE . . . . . . . . . . . . . 91.7 m-85 -79.33 -40.38 30.45 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 115.955 -0.566 . . . . 0.0 111.457 177.848 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 35.5 mt-10 -60.31 -36.08 77.08 Favored 'General case' 0 N--CA 1.466 0.344 0 N-CA-C 111.741 0.274 . . . . 0.0 111.741 179.947 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 29.1 t70 -60.02 -28.74 67.99 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 116.021 -0.536 . . . . 0.0 111.018 -179.475 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 41.4 mtm-85 -99.8 -3.17 33.28 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.037 -179.728 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 92.54 1.5 68.55 Favored Glycine 0 N--CA 1.45 -0.429 0 C-N-CA 120.561 -0.828 . . . . 0.0 113.225 174.028 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 67' ' ' ALA . . . . . 0.404 ' HB1' ' HB2' ' A' ' 70' ' ' ARG . . . -77.71 85.87 4.01 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-O 121.052 0.453 . . . . 0.0 110.142 179.155 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 68' ' ' MET . . . . . 0.553 ' HA ' ' CE ' ' A' ' 68' ' ' MET . 0.0 OUTLIER -70.71 -45.0 65.73 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-N 115.926 -0.579 . . . . 0.0 110.826 -174.382 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 49.9 mt-10 -60.48 -47.39 86.36 Favored 'General case' 0 CA--C 1.516 -0.359 0 CA-C-O 120.995 0.426 . . . . 0.0 110.499 179.224 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 70' ' ' ARG . . . . . 0.539 ' HA ' ' HB2' ' A' ' 73' ' ' LYS . 62.5 mtt85 -74.78 -18.85 60.41 Favored 'General case' 0 C--N 1.323 -0.57 0 CA-C-N 115.783 -0.644 . . . . 0.0 111.883 -174.06 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -70.13 -42.96 71.93 Favored 'General case' 0 C--N 1.327 -0.41 0 N-CA-C 109.387 -0.598 . . . . 0.0 109.387 170.386 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 72' ' ' ASN . . . . . . . . . . . . . 57.3 t30 -71.17 -39.19 72.04 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 115.448 -0.796 . . . . 0.0 110.252 177.44 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 73' ' ' LYS . . . . . 0.539 ' HB2' ' HA ' ' A' ' 70' ' ' ARG . 67.8 mttm -56.88 -41.65 78.4 Favored 'General case' 0 CA--C 1.519 -0.235 0 CA-C-N 115.994 -0.548 . . . . 0.0 110.576 175.829 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -59.49 -49.75 76.57 Favored 'General case' 0 N--CA 1.453 -0.302 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.285 177.955 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 75' ' ' ARG . . . . . 0.405 ' NH2' ' HB2' ' A' ' 100' ' ' ALA . 41.9 ttt180 -57.45 -48.24 79.69 Favored 'General case' 0 CA--C 1.532 0.259 0 CA-C-O 120.871 0.367 . . . . 0.0 110.824 177.36 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 85.3 mtt180 -65.21 -46.01 82.42 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.099 -0.5 . . . . 0.0 112.239 -177.373 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 77' ' ' ARG . . . . . 0.467 ' O ' HG23 ' A' ' 81' ' ' VAL . 26.7 mmt180 -73.21 -39.14 65.76 Favored 'General case' 0 C--N 1.326 -0.424 0 N-CA-C 111.654 0.242 . . . . 0.0 111.654 -177.093 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 78' ' ' CYS . . . . . . . . . . . . . 78.5 m -62.73 -41.44 99.17 Favored 'General case' 0 C--N 1.328 -0.35 0 N-CA-C 109.49 -0.559 . . . . 0.0 109.49 174.833 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . -63.1 -26.7 69.46 Favored Glycine 0 N--CA 1.452 -0.258 0 C-N-CA 121.16 -0.543 . . . . 0.0 112.209 176.991 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 31.8 tt0 -75.51 -33.69 60.76 Favored 'General case' 0 C--N 1.326 -0.413 0 N-CA-C 109.549 -0.538 . . . . 0.0 109.549 176.693 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 81' ' ' VAL . . . . . 0.467 HG23 ' O ' ' A' ' 77' ' ' ARG . 61.1 t -66.76 -43.0 90.2 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.23 0 CA-C-N 115.895 -0.593 . . . . 0.0 109.944 173.822 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 82' ' ' PHE . . . . . 0.504 ' O ' HG13 ' A' ' 86' ' ' ILE . 58.3 m-85 -59.19 -42.99 92.19 Favored 'General case' 0 C--O 1.231 0.086 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.254 174.813 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 83' ' ' ARG . . . . . 0.447 ' O ' HG23 ' A' ' 87' ' ' VAL . 34.6 ttt-85 -58.16 -47.48 83.24 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-N 116.361 -0.381 . . . . 0.0 110.305 176.586 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 84' ' ' TYR . . . . . . . . . . . . . 82.7 t80 -59.94 -37.91 80.9 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 115.981 -0.554 . . . . 0.0 110.26 178.519 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 85' ' ' ALA . . . . . 0.507 ' HA ' HG22 ' A' ' 88' ' ' THR . . . -64.26 -35.0 79.4 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.98 177.357 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 86' ' ' ILE . . . . . 0.504 HG13 ' O ' ' A' ' 82' ' ' PHE . 67.9 mt -68.85 -46.16 79.65 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.52 0 N-CA-C 109.84 -0.43 . . . . 0.0 109.84 175.528 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 87' ' ' VAL . . . . . 0.447 HG23 ' O ' ' A' ' 83' ' ' ARG . 82.0 t -62.45 -36.35 74.39 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.248 0 CA-C-N 115.885 -0.598 . . . . 0.0 111.317 -179.607 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 88' ' ' THR . . . . . 0.507 HG22 ' HA ' ' A' ' 85' ' ' ALA . 6.1 t -82.34 -3.77 56.02 Favored 'General case' 0 CA--C 1.535 0.385 0 CA-C-O 121.067 0.461 . . . . 0.0 110.609 179.901 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . 79.84 42.53 11.04 Favored Glycine 0 N--CA 1.452 -0.263 0 C-N-CA 121.023 -0.608 . . . . 0.0 113.23 174.941 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 90' ' ' ARG . . . . . 0.544 HH11 HG12 ' A' ' 10' ' ' ILE . 82.1 mtt180 -120.64 -40.92 2.61 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-O 120.787 0.327 . . . . 0.0 111.063 177.125 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . -106.05 165.96 10.84 Favored 'General case' 0 C--N 1.325 -0.5 0 CA-C-N 116.563 -0.29 . . . . 0.0 110.807 -179.124 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 63.3 mttm -108.63 -46.25 3.7 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 116.303 -0.408 . . . . 0.0 111.255 -179.578 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 93' ' ' TYR . . . . . . . . . . . . . 53.5 p90 -145.63 166.59 25.33 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.06 -178.592 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 94' ' ' ASN . . . . . 0.434 ' O ' ' HD2' ' A' ' 97' ' ' PRO . 1.4 m-80 -95.52 131.29 29.87 Favored Pre-proline 0 C--N 1.323 -0.579 0 N-CA-C 108.99 -0.744 . . . . 0.0 108.99 177.666 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 95' ' ' PRO . . . . . . . . . . . . . 74.2 Cg_endo -76.67 17.85 0.76 Allowed 'Trans proline' 0 N--CA 1.464 -0.206 0 C-N-CA 122.439 2.093 . . . . 0.0 112.049 177.828 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 96' ' ' ALA . . . . . 0.525 ' N ' ' HD2' ' A' ' 97' ' ' PRO . . . -57.64 -49.11 95.66 Favored Pre-proline 0 CA--C 1.536 0.406 0 CA-C-N 115.882 -0.599 . . . . 0.0 112.003 179.607 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 97' ' ' PRO . . . . . 0.525 ' HD2' ' N ' ' A' ' 96' ' ' ALA . 11.5 Cg_endo -56.38 -42.54 64.78 Favored 'Trans proline' 0 C--N 1.356 0.95 0 C-N-CA 122.228 1.952 . . . . 0.0 112.591 175.88 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 1.1 t70 -71.54 -33.33 69.06 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-O 121.245 0.545 . . . . 0.0 110.045 -178.27 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 99' ' ' LEU . . . . . . . . . . . . . 3.1 tm? -59.07 -40.09 84.11 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 115.446 -0.797 . . . . 0.0 109.675 173.392 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 100' ' ' ALA . . . . . 0.448 ' O ' ' HB2' ' A' ' 104' ' ' LYS . . . -65.57 -34.43 78.21 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 115.741 -0.663 . . . . 0.0 110.627 179.384 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -75.75 -32.34 59.93 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.392 -0.367 . . . . 0.0 111.563 178.791 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -63.1 -51.54 66.19 Favored 'General case' 0 C--N 1.327 -0.395 0 N-CA-C 109.819 -0.437 . . . . 0.0 109.819 174.721 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 103' ' ' MET . . . . . . . . . . . . . 32.2 ttm -59.77 -33.81 72.17 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 115.527 -0.76 . . . . 0.0 110.668 175.06 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 104' ' ' LYS . . . . . 0.448 ' HB2' ' O ' ' A' ' 100' ' ' ALA . 86.1 tttt . . . . . 0 C--N 1.327 -0.403 0 CA-C-N 115.147 -0.933 . . . . 0.0 110.972 -179.291 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 47.9 t30 . . . . . 0 N--CA 1.465 0.287 0 CA-C-O 121.523 0.677 . . . . 0.0 110.027 . . . . . . . . . 0 0 . 1 . 011 nuclear build core ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 5.9 m -66.11 141.59 58.06 Favored 'General case' 0 C--O 1.238 0.461 0 CA-C-N 115.336 -0.847 . . . . 0.0 110.763 -178.858 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 7' ' ' PHE . . . . . 0.426 ' HE1' ' CZ ' ' A' ' 34' ' ' PHE . 19.7 t80 -55.33 -48.07 74.71 Favored 'General case' 0 C--N 1.324 -0.539 0 CA-C-N 115.727 -0.669 . . . . 0.0 110.782 -178.963 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 8' ' ' SER . . . . . 0.559 ' HA ' ' HB3' ' A' ' 11' ' ' TYR . 49.7 m -60.68 -31.44 70.68 Favored 'General case' 0 N--CA 1.462 0.159 0 N-CA-C 112.29 0.478 . . . . 0.0 112.29 -178.917 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -65.56 -49.83 67.41 Favored 'General case' 0 C--O 1.236 0.386 0 CA-C-O 121.197 0.522 . . . . 0.0 110.284 -179.629 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 10' ' ' ILE . . . . . 0.483 HD12 HG21 ' A' ' 47' ' ' ILE . 60.4 mt -70.81 -34.59 56.84 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.433 0 CA-C-N 115.712 -0.676 . . . . 0.0 110.086 177.811 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 11' ' ' TYR . . . . . 0.559 ' HB3' ' HA ' ' A' ' 8' ' ' SER . 2.9 t80 -54.7 -44.69 73.64 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 115.987 -0.551 . . . . 0.0 111.182 175.716 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 79.1 tttt -66.09 -45.68 80.36 Favored 'General case' 0 C--N 1.328 -0.333 0 C-N-CA 120.875 -0.33 . . . . 0.0 110.792 -179.954 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 30.6 tt0 -61.2 -45.04 96.22 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-O 121.18 0.514 . . . . 0.0 109.764 179.215 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 14' ' ' TRP . . . . . 0.427 ' CZ2' ' HH2' ' A' ' 22' ' ' TRP . 57.3 t90 -57.75 -50.39 73.4 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 115.086 -0.961 . . . . 0.0 110.775 176.308 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 15' ' ' TYR . . . . . . . . . . . . . 22.1 t80 -57.85 -51.13 70.87 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 115.544 -0.753 . . . . 0.0 111.557 179.613 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 42.2 tt0 -65.8 -31.84 73.03 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-O 121.017 0.437 . . . . 0.0 110.968 -176.558 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 17' ' ' HIS . . . . . . . . . . . . . 86.0 t60 -75.05 -51.55 13.26 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.86 179.457 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 6.8 mmmm -75.86 -7.49 54.62 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.448 -0.342 . . . . 0.0 111.223 -177.066 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 56.4 tttm -60.32 -27.9 67.71 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.043 -0.526 . . . . 0.0 110.65 174.048 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 81.5 mt-30 -74.77 -19.94 60.01 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 115.964 -0.562 . . . . 0.0 110.267 179.334 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 39.2 t -91.26 -40.47 12.55 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.518 0 CA-C-N 115.894 -0.593 . . . . 0.0 110.659 -176.612 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 22' ' ' TRP . . . . . 0.427 ' HH2' ' CZ2' ' A' ' 14' ' ' TRP . 9.3 m0 -91.47 -179.85 5.49 Favored 'General case' 0 C--N 1.322 -0.607 0 CA-C-O 121.215 0.531 . . . . 0.0 110.846 -179.149 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 10.4 m -87.27 147.4 25.55 Favored 'General case' 0 C--N 1.322 -0.596 0 N-CA-C 108.915 -0.772 . . . . 0.0 108.915 173.081 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 13.7 p -60.54 -43.49 94.58 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.359 0 N-CA-C 112.023 0.379 . . . . 0.0 112.023 -172.108 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -66.26 -45.42 86.52 Favored Glycine 0 N--CA 1.452 -0.237 0 C-N-CA 120.761 -0.733 . . . . 0.0 111.775 -179.902 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 26' ' ' TYR . . . . . . . . . . . . . 86.8 t80 -58.58 -46.81 86.14 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-O 120.791 0.329 . . . . 0.0 110.327 176.793 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -62.73 -36.64 83.65 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.022 -0.535 . . . . 0.0 111.012 -179.791 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 75.7 m -64.16 -49.33 72.52 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.402 -0.363 . . . . 0.0 111.054 179.063 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 25.2 mt-10 -68.43 -31.21 70.36 Favored 'General case' 0 C--N 1.329 -0.284 0 C-N-CA 120.926 -0.309 . . . . 0.0 110.917 -179.606 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 14.3 tp -63.6 -53.37 52.69 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.202 -0.454 . . . . 0.0 109.984 174.109 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -62.62 -42.99 99.9 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 115.464 -0.789 . . . . 0.0 111.301 -178.179 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 61.7 tttp -60.76 -43.53 97.89 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.559 -0.291 . . . . 0.0 110.998 179.803 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 33' ' ' MET . . . . . 0.473 ' SD ' ' HD3' ' A' ' 70' ' ' ARG . 53.0 ttp -63.02 -45.53 91.89 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-O 121.346 0.593 . . . . 0.0 110.061 177.796 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 34' ' ' PHE . . . . . 0.548 ' O ' ' HB ' ' A' ' 38' ' ' ILE . 4.9 t80 -60.65 -33.04 72.22 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-N 115.399 -0.819 . . . . 0.0 110.0 178.8 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 35' ' ' ASP . . . . . 0.739 ' O ' ' HB2' ' A' ' 39' ' ' LEU . 14.2 t70 -79.43 -59.24 2.83 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 116.113 -0.494 . . . . 0.0 111.439 -178.526 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 27.5 m-20 -67.58 -14.1 62.64 Favored 'General case' 0 C--N 1.327 -0.384 0 N-CA-C 112.632 0.604 . . . . 0.0 112.632 -173.067 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 -110.3 -47.71 3.26 Favored 'General case' 0 C--N 1.323 -0.559 0 N-CA-C 112.115 0.413 . . . . 0.0 112.115 179.945 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 38' ' ' ILE . . . . . 0.584 HG12 HG13 ' A' ' 58' ' ' VAL . 16.2 mt -91.41 -30.58 4.79 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.414 0 N-CA-C 112.464 0.542 . . . . 0.0 112.464 -170.387 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 39' ' ' LEU . . . . . 0.739 ' HB2' ' O ' ' A' ' 35' ' ' ASP . 0.4 OUTLIER -58.61 -48.25 97.24 Favored Pre-proline 0 N--CA 1.469 0.509 0 N-CA-C 112.728 0.64 . . . . 0.0 112.728 -177.002 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 18.7 Cg_exo -68.44 4.36 1.7 Allowed 'Trans proline' 0 C--N 1.355 0.902 0 C-N-CA 122.168 1.912 . . . . 0.0 112.809 179.045 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 41' ' ' ILE . . . . . 0.408 HG22 HG23 ' A' ' 42' ' ' ILE . 32.9 mm -110.74 -60.59 2.81 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 CA-C-O 120.615 0.245 . . . . 0.0 111.242 -179.816 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 42' ' ' ILE . . . . . 0.484 HG22 ' HB3' ' A' ' 54' ' ' GLN . 27.7 pt -125.24 16.23 4.34 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.197 0 N-CA-C 112.425 0.528 . . . . 0.0 112.425 -174.033 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 43' ' ' GLY . . . . . 0.486 ' HA3' HD13 ' A' ' 39' ' ' LEU . . . -52.07 -53.15 31.96 Favored Glycine 0 CA--C 1.521 0.412 0 C-N-CA 120.947 -0.644 . . . . 0.0 113.433 -175.274 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -94.24 18.63 56.48 Favored Glycine 0 N--CA 1.448 -0.5 0 C-N-CA 120.703 -0.76 . . . . 0.0 113.404 -176.171 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 45' ' ' LEU . . . . . 0.448 HD12 HG22 ' A' ' 42' ' ' ILE . 85.8 mt -92.73 150.86 20.38 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 117.38 0.59 . . . . 0.0 110.24 179.088 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 46' ' ' GLU . . . . . 0.468 ' O ' HG13 ' A' ' 50' ' ' ILE . 44.3 mt-10 -69.64 131.95 45.42 Favored 'General case' 0 CA--C 1.513 -0.453 0 N-CA-C 109.914 -0.402 . . . . 0.0 109.914 176.986 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 47' ' ' ILE . . . . . 0.504 HD13 ' HB2' ' A' ' 85' ' ' ALA . 15.1 tt -64.45 -16.45 19.36 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.766 0 CA-C-O 121.21 0.529 . . . . 0.0 111.2 -177.05 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 52.8 tt0 -99.12 -10.8 22.07 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-N 115.978 -0.556 . . . . 0.0 110.578 -179.437 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 36.7 t70 -140.0 85.02 2.0 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-O 121.215 0.531 . . . . 0.0 110.52 -178.184 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 50' ' ' ILE . . . . . 0.468 HG13 ' O ' ' A' ' 46' ' ' GLU . 71.6 mt -124.01 129.21 74.33 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.669 0 CA-C-N 115.9 -0.591 . . . . 0.0 109.958 178.112 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 46.2 mm-40 -66.6 135.82 94.63 Favored Pre-proline 0 C--N 1.325 -0.478 0 CA-C-N 115.764 -0.653 . . . . 0.0 110.261 178.453 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 52' ' ' PRO . . . . . . . . . . . . . 52.0 Cg_exo -54.0 -32.83 70.3 Favored 'Trans proline' 0 C--N 1.344 0.294 0 C-N-CA 122.813 2.342 . . . . 0.0 111.815 178.342 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 53' ' ' MET . . . . . . . . . . . . . 82.9 mtp -59.56 -43.2 93.64 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 115.747 -0.66 . . . . 0.0 110.331 178.283 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 54' ' ' GLN . . . . . 0.484 ' HB3' HG22 ' A' ' 42' ' ' ILE . 7.8 mp0 -73.57 -43.09 60.67 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 115.835 -0.62 . . . . 0.0 111.572 -177.475 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 55' ' ' LEU . . . . . 0.487 HD23 ' HB2' ' A' ' 99' ' ' LEU . 22.6 tp -65.25 -37.97 88.89 Favored 'General case' 0 C--N 1.324 -0.542 0 CA-C-O 121.42 0.629 . . . . 0.0 109.765 -179.991 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 56' ' ' LEU . . . . . 0.4 ' HA ' HD21 ' A' ' 99' ' ' LEU . 3.2 tp -69.21 -33.51 73.42 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 115.871 -0.604 . . . . 0.0 109.539 176.064 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 12.2 tp10 -62.34 -29.9 70.79 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.068 177.711 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 58' ' ' VAL . . . . . 0.584 HG13 HG12 ' A' ' 38' ' ' ILE . 52.2 t -64.66 -55.76 19.53 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.178 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.412 173.771 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 59' ' ' ILE . . . . . 0.489 HG23 ' HB1' ' A' ' 71' ' ' ALA . 1.8 mp -59.52 -39.1 78.42 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.363 0 CA-C-O 121.11 0.481 . . . . 0.0 109.905 177.162 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 13.3 tpt180 -65.9 -27.16 67.99 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 115.617 -0.72 . . . . 0.0 110.694 179.056 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 61' ' ' ARG . . . . . 0.562 ' HB3' ' O ' ' A' ' 58' ' ' VAL . 3.4 tpm_? -63.61 -41.4 98.3 Favored 'General case' 0 C--N 1.327 -0.384 0 N-CA-C 109.62 -0.511 . . . . 0.0 109.62 175.683 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 62' ' ' PHE . . . . . . . . . . . . . 96.4 m-85 -75.78 -31.85 59.67 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 115.676 -0.693 . . . . 0.0 111.157 177.23 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 37.5 mt-10 -68.09 -29.61 68.59 Favored 'General case' 0 N--CA 1.463 0.181 0 CA-C-O 121.001 0.429 . . . . 0.0 110.07 174.581 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 64' ' ' ASP . . . . . 0.539 ' HB3' ' O ' ' A' ' 61' ' ' ARG . 8.8 t70 -59.35 -45.01 92.57 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 115.504 -0.771 . . . . 0.0 109.788 172.772 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 47.7 mtp180 -69.68 -30.12 67.71 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 115.275 -0.875 . . . . 0.0 110.489 177.157 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 100.56 -0.39 55.54 Favored Glycine 0 N--CA 1.449 -0.486 0 CA-C-N 115.814 -0.63 . . . . 0.0 111.939 179.186 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -82.71 94.23 7.55 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-O 120.799 0.333 . . . . 0.0 110.871 -177.787 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 68' ' ' MET . . . . . 0.527 ' HA ' ' CE ' ' A' ' 68' ' ' MET . 7.1 mmt -65.9 -37.85 87.19 Favored 'General case' 0 C--N 1.324 -0.528 0 CA-C-N 116.028 -0.533 . . . . 0.0 110.176 -179.715 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 38.4 mt-10 -61.64 -46.86 87.99 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 115.459 -0.792 . . . . 0.0 110.576 179.45 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 70' ' ' ARG . . . . . 0.473 ' HD3' ' SD ' ' A' ' 33' ' ' MET . 52.4 mtt180 -74.5 -27.02 60.37 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 115.809 -0.632 . . . . 0.0 111.293 -176.509 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 71' ' ' ALA . . . . . 0.489 ' HB1' HG23 ' A' ' 59' ' ' ILE . . . -66.11 -50.5 63.85 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-O 121.389 0.614 . . . . 0.0 110.208 176.419 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 72' ' ' ASN . . . . . . . . . . . . . 45.1 t-20 -63.19 -41.33 99.18 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 115.305 -0.861 . . . . 0.0 109.765 178.36 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 79.4 tttt -67.38 -35.84 80.15 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 115.66 -0.7 . . . . 0.0 111.066 -179.64 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -57.92 -45.3 86.76 Favored 'General case' 0 CA--C 1.518 -0.272 0 N-CA-C 110.301 -0.259 . . . . 0.0 110.301 177.631 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 47.6 ttt-85 -58.18 -47.94 81.84 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.699 177.765 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 50.0 mtt180 -65.35 -34.66 78.85 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.085 -0.507 . . . . 0.0 111.736 -178.309 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 77' ' ' ARG . . . . . 0.564 ' O ' HG23 ' A' ' 81' ' ' VAL . 10.7 mmt-85 -80.45 -31.33 37.47 Favored 'General case' 0 C--N 1.324 -0.532 0 C-N-CA 120.76 -0.376 . . . . 0.0 111.159 -178.926 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 78' ' ' CYS . . . . . . . . . . . . . 72.6 m -65.81 -41.32 92.03 Favored 'General case' 0 C--N 1.328 -0.364 0 N-CA-C 109.07 -0.715 . . . . 0.0 109.07 170.658 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . -60.19 -37.7 93.33 Favored Glycine 0 N--CA 1.449 -0.464 0 CA-C-N 115.652 -0.704 . . . . 0.0 111.921 174.781 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 5.5 tp10 -61.68 -39.02 89.95 Favored 'General case' 0 CA--C 1.533 0.31 0 CA-C-O 120.861 0.363 . . . . 0.0 110.411 175.227 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 81' ' ' VAL . . . . . 0.564 HG23 ' O ' ' A' ' 77' ' ' ARG . 46.9 t -68.26 -45.24 83.09 Favored 'Isoleucine or valine' 0 C--O 1.233 0.209 0 CA-C-N 116.476 -0.329 . . . . 0.0 110.313 177.098 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 82' ' ' PHE . . . . . 0.503 ' O ' HG13 ' A' ' 86' ' ' ILE . 35.0 m-85 -58.16 -45.54 87.27 Favored 'General case' 0 N--CA 1.465 0.276 0 CA-C-O 121.083 0.468 . . . . 0.0 109.956 174.948 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 83' ' ' ARG . . . . . 0.45 ' O ' HG23 ' A' ' 87' ' ' VAL . 43.9 ttt-85 -54.55 -51.18 66.01 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 115.316 -0.856 . . . . 0.0 110.62 177.048 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 84' ' ' TYR . . . . . . . . . . . . . 63.4 t80 -58.76 -43.06 90.23 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 115.609 -0.723 . . . . 0.0 110.577 177.995 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 85' ' ' ALA . . . . . 0.504 ' HB2' HD13 ' A' ' 47' ' ' ILE . . . -65.22 -40.22 93.8 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 116.058 -0.519 . . . . 0.0 111.556 -179.061 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 86' ' ' ILE . . . . . 0.503 HG13 ' O ' ' A' ' 82' ' ' PHE . 67.7 mt -62.18 -47.39 93.35 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.391 0 CA-C-O 120.773 0.32 . . . . 0.0 110.307 177.43 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 87' ' ' VAL . . . . . 0.45 HG23 ' O ' ' A' ' 83' ' ' ARG . 85.5 t -62.26 -32.83 56.08 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.378 0 CA-C-N 115.957 -0.565 . . . . 0.0 110.985 179.534 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 88' ' ' THR . . . . . . . . . . . . . 31.1 p -91.63 9.46 32.18 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-N 116.265 -0.425 . . . . 0.0 111.285 -179.171 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . 68.27 27.7 73.62 Favored Glycine 0 C--N 1.334 0.452 0 CA-C-N 116.049 -0.523 . . . . 0.0 113.865 173.944 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 54.9 mtm180 -111.53 -13.2 13.86 Favored 'General case' 0 C--N 1.323 -0.574 0 CA-C-N 116.87 0.335 . . . . 0.0 111.483 179.72 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . -122.34 111.29 16.71 Favored 'General case' 0 C--N 1.323 -0.566 0 CA-C-O 120.938 0.399 . . . . 0.0 110.711 177.88 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 64.3 tttm -90.42 -23.44 21.04 Favored 'General case' 0 C--N 1.323 -0.582 0 CA-C-N 115.83 -0.623 . . . . 0.0 110.092 178.106 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 93' ' ' TYR . . . . . . . . . . . . . 71.5 t80 -147.28 145.37 29.37 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 115.738 -0.665 . . . . 0.0 109.781 179.003 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 94' ' ' ASN . . . . . 0.457 ' HA ' ' HD3' ' A' ' 95' ' ' PRO . 31.6 p30 -130.77 146.53 62.37 Favored Pre-proline 0 N--CA 1.452 -0.327 0 CA-C-O 120.984 0.421 . . . . 0.0 110.461 176.37 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 95' ' ' PRO . . . . . 0.457 ' HD3' ' HA ' ' A' ' 94' ' ' ASN . 1.8 Cg_endo -86.1 25.39 0.69 Allowed 'Trans proline' 0 N--CA 1.457 -0.631 0 C-N-CA 123.284 2.656 . . . . 0.0 111.975 177.855 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 96' ' ' ALA . . . . . 0.435 ' HB3' ' HD3' ' A' ' 97' ' ' PRO . . . -61.37 -54.26 54.48 Favored Pre-proline 0 CA--C 1.539 0.553 0 N-CA-C 112.597 0.591 . . . . 0.0 112.597 -175.252 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 97' ' ' PRO . . . . . 0.435 ' HD3' ' HB3' ' A' ' 96' ' ' ALA . 56.5 Cg_endo -71.98 -28.99 15.56 Favored 'Trans proline' 0 C--N 1.354 0.831 0 C-N-CA 121.567 1.511 . . . . 0.0 111.949 178.493 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 28.7 t70 -72.73 -31.86 65.28 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-N 115.768 -0.651 . . . . 0.0 110.437 -177.588 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 99' ' ' LEU . . . . . 0.487 ' HB2' HD23 ' A' ' 55' ' ' LEU . 3.2 tm? -61.4 -39.99 92.75 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 115.94 -0.573 . . . . 0.0 109.794 175.073 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 100' ' ' ALA . . . . . . . . . . . . . . . -64.15 -40.21 95.66 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 115.638 -0.71 . . . . 0.0 110.589 179.505 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 18.7 t70 -67.7 -36.93 81.55 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 115.528 -0.76 . . . . 0.0 110.345 179.079 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -63.71 -55.64 21.76 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 115.89 -0.595 . . . . 0.0 110.767 177.759 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 103' ' ' MET . . . . . . . . . . . . . 44.2 ttm -50.29 -42.89 53.13 Favored 'General case' 0 N--CA 1.465 0.285 0 CA-C-O 120.841 0.353 . . . . 0.0 111.405 175.506 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 104' ' ' LYS . . . . . . . . . . . . . 79.6 tttt . . . . . 0 C--N 1.327 -0.382 0 CA-C-N 115.889 -0.596 . . . . 0.0 111.448 179.746 . . . . . . . . 0 0 . 1 . 012 nuclear build core ' A' A ' 5' ' ' ASN . . . . . 0.465 ' OD1' ' HD3' ' A' ' 90' ' ' ARG . 57.6 t30 . . . . . 0 C--O 1.235 0.303 0 CA-C-O 121.476 0.655 . . . . 0.0 109.437 . . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 4.2 m -65.28 143.76 57.58 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 115.263 -0.881 . . . . 0.0 110.554 -179.445 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 7' ' ' PHE . . . . . . . . . . . . . 45.4 t80 -57.3 -41.87 80.67 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 116.02 -0.537 . . . . 0.0 110.443 179.593 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 39.7 t -59.31 -36.21 75.22 Favored 'General case' 0 CA--C 1.531 0.231 0 CA-C-N 116.379 -0.373 . . . . 0.0 111.634 179.852 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -67.07 -51.14 58.19 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-O 120.97 0.414 . . . . 0.0 110.836 -177.813 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 64.3 mt -67.56 -33.55 62.86 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 CA-C-N 115.829 -0.623 . . . . 0.0 110.175 178.955 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 4.5 t80 -59.17 -47.13 86.44 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 115.967 -0.56 . . . . 0.0 111.133 175.626 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 86.3 tttt -66.7 -36.35 82.28 Favored 'General case' 0 C--N 1.329 -0.316 0 C-N-CA 120.599 -0.44 . . . . 0.0 110.755 -178.999 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 23.9 mm-40 -61.74 -52.9 62.34 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 120.961 0.41 . . . . 0.0 109.949 174.038 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 14' ' ' TRP . . . . . . . . . . . . . 57.5 t90 -54.47 -46.38 73.34 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 115.491 -0.777 . . . . 0.0 110.345 176.955 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 15' ' ' TYR . . . . . . . . . . . . . 40.7 t80 -56.77 -55.41 34.64 Favored 'General case' 0 N--CA 1.45 -0.45 0 CA-C-N 115.533 -0.758 . . . . 0.0 110.998 178.762 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 17.4 tp10 -58.84 -30.27 67.56 Favored 'General case' 0 CA--C 1.53 0.208 0 CA-C-O 120.791 0.329 . . . . 0.0 111.203 -176.287 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 17' ' ' HIS . . . . . . . . . . . . . 42.7 m-70 -71.57 -52.36 18.55 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.767 0.317 . . . . 0.0 110.693 178.382 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 18' ' ' LYS . . . . . 0.436 ' HA ' ' HD2' ' A' ' 18' ' ' LYS . 9.1 mmmm -77.39 -12.33 59.94 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 121.144 0.497 . . . . 0.0 110.797 -177.17 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 40.7 tttm -67.04 -20.89 65.91 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-N 115.47 -0.786 . . . . 0.0 110.433 176.22 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 97.1 mt-30 -87.65 -13.64 42.13 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-N 115.994 -0.548 . . . . 0.0 110.379 175.911 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 60.4 t -88.2 -51.45 12.51 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.536 0 CA-C-N 115.778 -0.646 . . . . 0.0 110.373 179.272 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 22' ' ' TRP . . . . . . . . . . . . . 6.1 m0 -85.99 168.18 14.37 Favored 'General case' 0 C--N 1.323 -0.584 0 CA-C-N 115.711 -0.677 . . . . 0.0 110.0 179.956 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 18.1 m -73.5 147.75 43.76 Favored 'General case' 0 C--N 1.322 -0.589 0 N-CA-C 109.207 -0.664 . . . . 0.0 109.207 175.414 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 42.8 t -56.85 -42.19 77.52 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 N-CA-C 111.754 0.279 . . . . 0.0 111.754 -175.705 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -62.37 -37.42 94.59 Favored Glycine 0 N--CA 1.453 -0.211 0 C-N-CA 120.942 -0.647 . . . . 0.0 111.899 178.344 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 26' ' ' TYR . . . . . . . . . . . . . 77.3 t80 -74.36 -44.05 53.92 Favored 'General case' 0 C--N 1.325 -0.493 0 N-CA-C 110.076 -0.342 . . . . 0.0 110.076 178.374 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -61.32 -43.71 98.42 Favored 'General case' 0 N--CA 1.454 -0.251 0 CA-C-N 116.075 -0.511 . . . . 0.0 110.794 -179.605 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 39.5 m -64.13 -40.66 96.66 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.949 179.587 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 33.6 tt0 -68.97 -43.48 74.86 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 121.039 0.447 . . . . 0.0 110.793 179.764 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 10.1 tt -60.01 -42.68 94.85 Favored 'General case' 0 C--O 1.237 0.416 0 CA-C-N 116.042 -0.527 . . . . 0.0 109.951 177.67 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -68.98 -36.92 78.41 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 115.64 -0.709 . . . . 0.0 110.914 178.615 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 27.2 tptp -56.32 -44.88 80.39 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 120.696 0.284 . . . . 0.0 110.838 179.879 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 33' ' ' MET . . . . . . . . . . . . . 46.7 ttp -68.75 -42.86 76.97 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.988 178.297 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 34' ' ' PHE . . . . . 0.468 ' HA ' HD13 ' A' ' 38' ' ' ILE . 12.5 t80 -67.48 -47.87 68.8 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.191 -177.291 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 35' ' ' ASP . . . . . 0.689 ' HA ' HD23 ' A' ' 39' ' ' LEU . 0.9 OUTLIER -58.98 -54.63 44.93 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.297 -0.41 . . . . 0.0 111.308 178.905 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 33.4 t70 -66.51 -23.87 66.31 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-N 116.283 -0.417 . . . . 0.0 111.825 -172.655 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 37' ' ' ASP . . . . . 0.605 ' HA ' ' NH1' ' A' ' 61' ' ' ARG . 4.1 m-20 -97.17 -58.03 2.12 Favored 'General case' 0 C--N 1.328 -0.333 0 N-CA-C 112.51 0.559 . . . . 0.0 112.51 179.999 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 38' ' ' ILE . . . . . 0.468 HD13 ' HA ' ' A' ' 34' ' ' PHE . 2.1 mp -69.91 -38.72 76.34 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.567 0 N-CA-C 111.953 0.353 . . . . 0.0 111.953 -171.994 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 39' ' ' LEU . . . . . 0.689 HD23 ' HA ' ' A' ' 35' ' ' ASP . 2.7 mm? -60.56 -52.37 73.27 Favored Pre-proline 0 C--N 1.327 -0.409 0 N-CA-C 112.936 0.717 . . . . 0.0 112.936 -173.753 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 40' ' ' PRO . . . . . 0.422 ' HD3' ' HB2' ' A' ' 39' ' ' LEU . 42.4 Cg_exo -59.52 -22.83 68.27 Favored 'Trans proline' 0 C--N 1.35 0.609 0 C-N-CA 122.074 1.849 . . . . 0.0 112.536 177.615 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 41' ' ' ILE . . . . . 0.622 HG22 HG23 ' A' ' 42' ' ' ILE . 23.4 mm -90.71 -67.25 0.79 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.382 0 CA-C-N 116.393 -0.367 . . . . 0.0 110.919 -178.022 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 42' ' ' ILE . . . . . 0.622 HG23 HG22 ' A' ' 41' ' ' ILE . 9.2 pt -124.37 8.45 4.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 N-CA-C 112.287 0.477 . . . . 0.0 112.287 -173.241 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 43' ' ' GLY . . . . . 0.565 ' HA3' ' HA ' ' A' ' 39' ' ' LEU . . . -57.74 -40.5 92.91 Favored Glycine 0 C--O 1.234 0.132 0 C-N-CA 120.973 -0.632 . . . . 0.0 113.381 -174.924 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -93.06 13.53 67.45 Favored Glycine 0 N--CA 1.446 -0.645 0 C-N-CA 120.83 -0.7 . . . . 0.0 112.498 -177.604 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 45' ' ' LEU . . . . . 0.46 HD12 HG22 ' A' ' 42' ' ' ILE . 88.3 mt -97.85 149.98 21.78 Favored 'General case' 0 C--N 1.326 -0.433 0 N-CA-C 110.102 -0.333 . . . . 0.0 110.102 179.176 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 46' ' ' GLU . . . . . 0.484 ' O ' HG13 ' A' ' 50' ' ' ILE . 45.2 mt-10 -77.67 139.33 39.43 Favored 'General case' 0 C--N 1.324 -0.516 0 N-CA-C 109.819 -0.437 . . . . 0.0 109.819 179.1 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 47' ' ' ILE . . . . . 0.48 HD13 ' HB2' ' A' ' 85' ' ' ALA . 13.3 tt -62.81 -21.16 27.09 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.606 0 CA-C-N 115.875 -0.602 . . . . 0.0 112.612 -169.888 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 48' ' ' GLN . . . . . 0.423 ' HG3' HD21 ' A' ' 5' ' ' ASN . 95.3 mt-30 -87.69 -18.23 30.0 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.679 0.276 . . . . 0.0 111.386 178.293 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 1.5 m-20 -125.07 32.62 5.36 Favored 'General case' 0 C--N 1.322 -0.621 0 CA-C-O 121.037 0.446 . . . . 0.0 111.65 -169.444 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 50' ' ' ILE . . . . . 0.484 HG13 ' O ' ' A' ' 46' ' ' GLU . 74.7 mt -83.25 129.7 37.02 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.565 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.398 177.175 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 51' ' ' GLU . . . . . 0.411 ' HA ' ' HD3' ' A' ' 52' ' ' PRO . 9.4 mm-40 -69.58 126.67 92.74 Favored Pre-proline 0 C--N 1.325 -0.499 0 CA-C-N 115.922 -0.581 . . . . 0.0 110.611 179.628 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 52' ' ' PRO . . . . . 0.411 ' HD3' ' HA ' ' A' ' 51' ' ' GLU . 50.8 Cg_exo -54.29 -44.77 46.4 Favored 'Trans proline' 0 C--N 1.342 0.205 0 C-N-CA 122.985 2.456 . . . . 0.0 112.643 179.335 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 53' ' ' MET . . . . . . . . . . . . . 50.7 ttp -68.56 -25.84 65.11 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 121.001 0.429 . . . . 0.0 110.698 -178.95 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 54' ' ' GLN . . . . . 0.491 ' O ' ' HB3' ' A' ' 57' ' ' GLU . 28.0 tt0 -80.45 -32.35 37.24 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-O 121.482 0.658 . . . . 0.0 109.602 179.016 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 40.2 tp -66.62 -32.42 73.73 Favored 'General case' 0 C--N 1.325 -0.465 0 N-CA-C 108.958 -0.756 . . . . 0.0 108.958 171.633 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 56' ' ' LEU . . . . . 0.475 HD13 ' O ' ' A' ' 56' ' ' LEU . 2.1 tm? -67.43 -35.2 78.77 Favored 'General case' 0 C--O 1.221 -0.403 0 CA-C-N 115.31 -0.859 . . . . 0.0 109.277 174.052 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 57' ' ' GLU . . . . . 0.491 ' HB3' ' O ' ' A' ' 54' ' ' GLN . 9.1 tp10 -55.96 -38.56 70.53 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.557 -0.292 . . . . 0.0 110.26 176.444 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 96.0 t -61.94 -55.78 21.96 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.326 0 CA-C-O 121.077 0.465 . . . . 0.0 110.997 174.441 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 59' ' ' ILE . . . . . . . . . . . . . 1.7 mp -58.89 -40.93 81.48 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.36 0 CA-C-O 121.196 0.522 . . . . 0.0 110.723 179.828 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 60' ' ' ARG . . . . . 0.444 ' HA ' ' CB ' ' A' ' 63' ' ' GLU . 55.4 ttp85 -75.56 -21.8 57.56 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-N 115.763 -0.653 . . . . 0.0 110.779 -178.341 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 61' ' ' ARG . . . . . 0.605 ' NH1' ' HA ' ' A' ' 37' ' ' ASP . 1.5 ttt180 -59.4 -46.27 89.15 Favored 'General case' 0 C--N 1.331 -0.208 0 N-CA-C 108.492 -0.929 . . . . 0.0 108.492 172.495 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 62' ' ' PHE . . . . . . . . . . . . . 96.8 m-85 -70.63 -37.54 73.78 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 115.245 -0.889 . . . . 0.0 110.939 175.246 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 63' ' ' GLU . . . . . 0.444 ' CB ' ' HA ' ' A' ' 60' ' ' ARG . 24.4 tt0 -53.18 -46.58 69.02 Favored 'General case' 0 N--CA 1.468 0.432 0 CA-C-N 116.26 -0.427 . . . . 0.0 111.644 -178.962 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 32.1 t70 -58.4 -29.1 65.81 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.51 -177.299 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 84.6 mtt180 -83.44 -13.06 55.62 Favored 'General case' 0 C--N 1.323 -0.565 0 CA-C-N 115.994 -0.548 . . . . 0.0 110.712 -178.322 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 83.37 9.98 82.81 Favored Glycine 0 N--CA 1.448 -0.564 0 N-CA-C 110.375 -1.09 . . . . 0.0 110.375 -169.823 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -83.59 50.12 1.73 Allowed 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 115.128 -0.536 . . . . 0.0 110.388 -177.753 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 68' ' ' MET . . . . . 0.523 ' HA ' ' CE ' ' A' ' 68' ' ' MET . 1.4 mmt -61.97 -34.77 76.76 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 115.776 -0.647 . . . . 0.0 111.359 -177.659 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 2.4 tm-20 -64.92 -49.23 71.23 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-N 116.129 -0.487 . . . . 0.0 109.982 179.773 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 77.7 mtt180 -74.37 -17.56 60.8 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 116.302 -0.408 . . . . 0.0 111.263 179.292 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -70.74 -40.79 72.52 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.868 0.366 . . . . 0.0 110.151 174.916 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 72' ' ' ASN . . . . . . . . . . . . . 40.1 t30 -62.67 -39.57 94.35 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 115.942 -0.572 . . . . 0.0 109.616 174.744 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 44.6 mttp -60.73 -41.38 95.19 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 115.682 -0.69 . . . . 0.0 110.491 173.916 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -59.75 -50.24 74.59 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.619 -0.264 . . . . 0.0 110.923 179.095 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 41.5 ttt180 -58.51 -48.32 81.19 Favored 'General case' 0 C--N 1.329 -0.322 0 O-C-N 123.389 0.431 . . . . 0.0 111.193 179.345 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 54.9 mtm180 -70.11 -37.31 75.31 Favored 'General case' 0 C--N 1.328 -0.351 0 N-CA-C 112.226 0.454 . . . . 0.0 112.226 -176.014 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 77' ' ' ARG . . . . . 0.438 ' O ' HG23 ' A' ' 81' ' ' VAL . 83.2 mtm180 -64.21 -43.24 95.63 Favored 'General case' 0 C--N 1.328 -0.328 0 C-N-CA 120.886 -0.326 . . . . 0.0 110.173 177.506 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 78' ' ' CYS . . . . . . . . . . . . . 73.6 m -63.57 -40.29 96.58 Favored 'General case' 0 C--N 1.331 -0.208 0 N-CA-C 109.676 -0.49 . . . . 0.0 109.676 175.486 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . -58.14 -37.02 84.8 Favored Glycine 0 N--CA 1.45 -0.405 0 CA-C-N 115.915 -0.584 . . . . 0.0 112.594 176.994 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 22.1 tt0 -71.58 -35.87 70.7 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.71 0.255 . . . . 0.0 110.38 178.444 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 81' ' ' VAL . . . . . 0.438 HG23 ' O ' ' A' ' 77' ' ' ARG . 66.9 t -62.4 -45.07 99.64 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.233 0 N-CA-C 109.707 -0.479 . . . . 0.0 109.707 173.669 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 82' ' ' PHE . . . . . 0.576 ' O ' HG13 ' A' ' 86' ' ' ILE . 29.4 m-85 -59.88 -43.16 94.89 Favored 'General case' 0 C--O 1.227 -0.097 0 CA-C-N 115.926 -0.579 . . . . 0.0 110.192 174.229 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 83' ' ' ARG . . . . . 0.499 ' O ' HG23 ' A' ' 87' ' ' VAL . 36.7 ttp180 -59.13 -43.65 92.0 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 115.994 -0.548 . . . . 0.0 110.523 -179.989 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 84' ' ' TYR . . . . . . . . . . . . . 18.5 t80 -63.85 -34.26 77.53 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-O 121.052 0.453 . . . . 0.0 109.946 179.016 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 85' ' ' ALA . . . . . 0.491 ' HA ' ' OG1' ' A' ' 88' ' ' THR . . . -71.09 -28.49 64.37 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.666 176.826 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 86' ' ' ILE . . . . . 0.576 HG13 ' O ' ' A' ' 82' ' ' PHE . 69.3 mt -72.09 -39.32 65.49 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.585 0 CA-C-O 121.144 0.497 . . . . 0.0 109.785 174.831 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 87' ' ' VAL . . . . . 0.499 HG23 ' O ' ' A' ' 83' ' ' ARG . 68.1 t -67.62 -34.54 68.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 115.637 -0.71 . . . . 0.0 110.851 177.797 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 88' ' ' THR . . . . . 0.491 ' OG1' ' HA ' ' A' ' 85' ' ' ALA . 14.5 p -79.76 -8.68 59.4 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.947 0.403 . . . . 0.0 111.194 177.928 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . 83.86 17.31 65.82 Favored Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.873 -0.679 . . . . 0.0 112.78 176.586 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 90' ' ' ARG . . . . . 0.465 ' HD3' ' OD1' ' A' ' 5' ' ' ASN . 66.0 mtt180 -91.7 -64.45 1.12 Allowed 'General case' 0 C--N 1.326 -0.424 0 CA-C-O 121.084 0.468 . . . . 0.0 110.799 179.927 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . -81.94 118.15 22.73 Favored 'General case' 0 C--N 1.321 -0.67 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.274 -177.335 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 85.5 mttt -100.91 -14.19 18.02 Favored 'General case' 0 C--N 1.32 -0.702 0 CA-C-O 121.513 0.673 . . . . 0.0 110.02 -178.053 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 93' ' ' TYR . . . . . . . . . . . . . 71.4 t80 -147.2 130.25 16.35 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-N 114.945 -1.025 . . . . 0.0 109.323 174.35 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 94' ' ' ASN . . . . . . . . . . . . . 24.7 p-10 -111.96 134.8 21.31 Favored Pre-proline 0 C--N 1.32 -0.715 0 N-CA-C 109.43 -0.582 . . . . 0.0 109.43 175.447 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 95' ' ' PRO . . . . . 0.436 ' O ' ' HB2' ' A' ' 99' ' ' LEU . 72.9 Cg_endo -76.08 29.36 0.39 Allowed 'Trans proline' 0 CA--C 1.528 0.186 0 C-N-CA 122.847 2.365 . . . . 0.0 113.119 -175.29 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 96' ' ' ALA . . . . . 0.528 ' HB3' ' HD3' ' A' ' 97' ' ' PRO . . . -68.01 -48.51 38.95 Favored Pre-proline 0 CA--C 1.541 0.607 0 N-CA-C 112.057 0.391 . . . . 0.0 112.057 -179.145 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 97' ' ' PRO . . . . . 0.528 ' HD3' ' HB3' ' A' ' 96' ' ' ALA . 30.1 Cg_exo -63.28 -42.74 21.04 Favored 'Trans proline' 0 C--N 1.355 0.919 0 C-N-CA 121.962 1.774 . . . . 0.0 112.138 177.072 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 36.7 t70 -66.7 -34.09 77.09 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.508 -179.897 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 99' ' ' LEU . . . . . 0.436 ' HB2' ' O ' ' A' ' 95' ' ' PRO . 2.9 tm? -55.85 -40.47 72.91 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-N 115.818 -0.628 . . . . 0.0 110.05 176.382 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 100' ' ' ALA . . . . . . . . . . . . . . . -66.27 -46.55 76.65 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.868 179.91 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 24.4 t70 -64.14 -40.21 95.67 Favored 'General case' 0 C--O 1.234 0.274 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.973 179.991 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -63.44 -44.54 94.25 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-N 115.774 -0.648 . . . . 0.0 110.378 177.383 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 103' ' ' MET . . . . . . . . . . . . . 41.0 ttm -56.72 -46.46 81.27 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.057 -0.519 . . . . 0.0 111.165 178.427 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 104' ' ' LYS . . . . . . . . . . . . . 74.5 mmtt . . . . . 0 C--N 1.327 -0.377 0 CA-C-N 115.871 -0.604 . . . . 0.0 111.377 -178.252 . . . . . . . . 0 0 . 1 . 013 nuclear build core ' A' A ' 5' ' ' ASN . . . . . 0.47 HD22 ' N ' ' A' ' 5' ' ' ASN . 0.9 OUTLIER . . . . . 0 CA--C 1.52 -0.203 0 N-CA-C 109.209 -0.664 . . . . 0.0 109.209 . . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 19.9 m -69.03 143.41 54.32 Favored 'General case' 0 N--CA 1.449 -0.484 0 CA-C-N 115.192 -0.913 . . . . 0.0 109.723 174.244 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 7' ' ' PHE . . . . . . . . . . . . . 35.4 t80 -58.68 -42.24 88.07 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 116.457 -0.338 . . . . 0.0 111.58 -174.907 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 23.0 t -62.03 -31.98 72.44 Favored 'General case' 0 C--O 1.234 0.259 0 CA-C-O 120.85 0.357 . . . . 0.0 111.338 -178.601 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -70.87 -47.06 61.28 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.995 0.426 . . . . 0.0 110.76 -178.647 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 81.0 mt -70.38 -33.79 55.47 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.437 0 CA-C-N 116.079 -0.51 . . . . 0.0 110.374 178.627 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 1.2 t80 -56.61 -40.52 75.5 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.442 173.2 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 18.2 tptm -66.26 -42.01 89.09 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-O 120.793 0.33 . . . . 0.0 110.54 -178.996 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 9.9 tp10 -63.41 -46.54 85.91 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 121.233 0.539 . . . . 0.0 109.74 176.623 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 14' ' ' TRP . . . . . . . . . . . . . 60.3 t90 -57.67 -50.54 72.84 Favored 'General case' 0 C--O 1.237 0.409 0 CA-C-N 115.308 -0.86 . . . . 0.0 110.665 177.32 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 15' ' ' TYR . . . . . 0.492 ' CE1' ' HB2' ' A' ' 31' ' ' ALA . 34.8 t80 -58.57 -47.6 83.73 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 115.97 -0.559 . . . . 0.0 111.276 -179.397 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 42.0 tt0 -58.93 -38.19 78.42 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.732 0.301 . . . . 0.0 111.497 -175.821 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 17' ' ' HIS . . . . . . . . . . . . . 12.3 m170 -73.81 -46.96 42.05 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 116.601 -0.272 . . . . 0.0 110.856 -178.634 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 33.1 mmtm -68.39 -24.51 64.78 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-O 120.874 0.369 . . . . 0.0 110.951 178.793 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 64.2 tttm -63.75 -23.61 67.43 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 115.916 -0.584 . . . . 0.0 110.997 179.857 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 45.5 mm-40 -89.47 -6.29 56.59 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-O 121.07 0.462 . . . . 0.0 110.099 -179.688 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 48.9 t -104.04 -45.27 9.54 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 CA-C-N 115.84 -0.618 . . . . 0.0 110.448 -179.089 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 22' ' ' TRP . . . . . . . . . . . . . 26.3 m0 -80.86 179.47 7.82 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-N 115.79 -0.641 . . . . 0.0 110.764 -179.579 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 6.9 m -81.83 148.79 28.65 Favored 'General case' 0 C--N 1.323 -0.566 0 CA-C-N 115.849 -0.614 . . . . 0.0 109.364 175.052 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 11.3 p -56.27 -40.81 68.04 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.396 0 N-CA-C 111.64 0.237 . . . . 0.0 111.64 -178.112 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -69.19 -47.82 50.32 Favored Glycine 0 N--CA 1.449 -0.47 0 C-N-CA 120.655 -0.783 . . . . 0.0 111.773 179.044 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 26' ' ' TYR . . . . . . . . . . . . . 65.1 t80 -56.87 -43.71 81.51 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.851 0.358 . . . . 0.0 110.383 177.528 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -66.57 -46.58 75.53 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 115.85 -0.614 . . . . 0.0 111.371 -179.433 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 32.8 m -63.99 -39.45 94.15 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-O 120.883 0.373 . . . . 0.0 110.887 -179.606 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 39.0 tt0 -65.03 -47.9 75.78 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-O 121.203 0.525 . . . . 0.0 110.358 178.483 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 8.1 tt -62.89 -45.34 93.01 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 115.476 -0.784 . . . . 0.0 110.36 -179.491 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 31' ' ' ALA . . . . . 0.492 ' HB2' ' CE1' ' A' ' 15' ' ' TYR . . . -63.37 -34.47 77.8 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.021 -0.536 . . . . 0.0 111.626 -178.495 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 32' ' ' LYS . . . . . 0.419 ' HA ' ' HD2' ' A' ' 32' ' ' LYS . 46.0 tptt -69.9 -39.8 76.02 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.814 0.34 . . . . 0.0 110.52 179.132 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 33' ' ' MET . . . . . . . . . . . . . 12.5 tmm? -62.37 -48.87 77.88 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.005 -0.543 . . . . 0.0 110.065 176.76 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 34' ' ' PHE . . . . . 0.447 ' CG ' HD12 ' A' ' 38' ' ' ILE . 3.1 t80 -62.63 -38.78 91.58 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 115.806 -0.634 . . . . 0.0 109.985 179.117 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 35' ' ' ASP . . . . . 0.574 ' O ' ' HD3' ' A' ' 40' ' ' PRO . 14.9 t70 -62.56 -66.39 0.55 Allowed 'General case' 0 C--N 1.323 -0.565 0 CA-C-N 115.291 -0.868 . . . . 0.0 111.691 -178.851 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 26.7 t70 -66.69 -30.08 70.24 Favored 'General case' 0 C--O 1.237 0.442 0 CA-C-N 115.803 -0.635 . . . . 0.0 112.497 -169.316 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 37' ' ' ASP . . . . . 0.594 ' HA ' ' NH1' ' A' ' 61' ' ' ARG . 50.0 m-20 -98.38 -43.79 6.79 Favored 'General case' 0 C--N 1.322 -0.595 0 N-CA-C 112.789 0.663 . . . . 0.0 112.789 -174.079 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 38' ' ' ILE . . . . . 0.471 HG12 HG13 ' A' ' 58' ' ' VAL . 20.9 mt -91.68 -39.86 11.91 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.616 0 N-CA-C 112.208 0.447 . . . . 0.0 112.208 -171.628 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 39' ' ' LEU . . . . . 0.411 ' HB2' ' O ' ' A' ' 35' ' ' ASP . 43.6 mt -65.31 -41.06 48.93 Favored Pre-proline 0 CA--C 1.54 0.594 0 N-CA-C 113.612 0.967 . . . . 0.0 113.612 -173.559 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 40' ' ' PRO . . . . . 0.574 ' HD3' ' O ' ' A' ' 35' ' ' ASP . 23.4 Cg_exo -67.52 -9.9 26.91 Favored 'Trans proline' 0 C--N 1.35 0.633 0 C-N-CA 121.725 1.617 . . . . 0.0 112.745 176.693 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 41' ' ' ILE . . . . . 0.591 HG22 HG23 ' A' ' 42' ' ' ILE . 19.6 mm -96.93 -54.13 7.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.686 -0.233 . . . . 0.0 111.066 -178.935 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 42' ' ' ILE . . . . . 0.591 HG23 HG22 ' A' ' 41' ' ' ILE . 15.2 pt -131.16 9.56 1.88 Allowed 'Isoleucine or valine' 0 C--N 1.332 -0.195 0 N-CA-C 112.343 0.497 . . . . 0.0 112.343 -176.246 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -61.44 -36.87 93.18 Favored Glycine 0 N--CA 1.453 -0.181 0 C-N-CA 120.769 -0.729 . . . . 0.0 112.536 -175.226 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -94.04 12.61 68.9 Favored Glycine 0 N--CA 1.446 -0.662 0 C-N-CA 120.753 -0.737 . . . . 0.0 112.513 -178.874 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 45' ' ' LEU . . . . . 0.444 HD12 ' HA ' ' A' ' 42' ' ' ILE . 93.1 mt -96.23 151.53 19.41 Favored 'General case' 0 C--N 1.326 -0.431 0 N-CA-C 110.105 -0.331 . . . . 0.0 110.105 178.231 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 48.8 mt-10 -74.38 132.96 42.46 Favored 'General case' 0 C--N 1.325 -0.487 0 N-CA-C 108.907 -0.775 . . . . 0.0 108.907 178.336 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 47' ' ' ILE . . . . . 0.402 HD13 ' CB ' ' A' ' 85' ' ' ALA . 18.6 tt -62.87 -17.51 19.32 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.647 0 CA-C-O 121.043 0.449 . . . . 0.0 111.494 -174.748 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 79.1 mt-30 -86.32 -20.47 28.3 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.836 179.249 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 21.8 t70 -140.05 86.47 2.09 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-O 121.284 0.564 . . . . 0.0 111.063 -178.981 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 50' ' ' ILE . . . . . 0.435 ' HB ' ' HG2' ' A' ' 95' ' ' PRO . 75.9 mt -115.05 136.68 50.99 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.818 0 CA-C-N 115.353 -0.84 . . . . 0.0 109.951 175.527 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 1.5 tm-20 -66.19 124.72 88.68 Favored Pre-proline 0 C--N 1.325 -0.487 0 CA-C-N 115.973 -0.558 . . . . 0.0 109.911 -179.644 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 52' ' ' PRO . . . . . . . . . . . . . 52.4 Cg_exo -53.34 -39.06 82.65 Favored 'Trans proline' 0 C--O 1.232 0.198 0 C-N-CA 123.021 2.481 . . . . 0.0 112.556 179.985 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 53' ' ' MET . . . . . . . . . . . . . 90.3 mtp -74.97 -20.6 59.6 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.49 -0.323 . . . . 0.0 111.125 -177.615 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 59.1 mt-30 -83.22 -43.87 15.63 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.518 -0.31 . . . . 0.0 110.884 177.657 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 55' ' ' LEU . . . . . 0.43 ' O ' ' HB ' ' A' ' 58' ' ' VAL . 54.0 tp -61.74 -40.15 94.1 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-O 121.646 0.736 . . . . 0.0 109.412 176.01 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 56' ' ' LEU . . . . . 0.588 HD13 ' HG3' ' A' ' 60' ' ' ARG . 2.4 tm? -68.04 -31.08 70.49 Favored 'General case' 0 C--N 1.323 -0.566 0 CA-C-N 115.357 -0.838 . . . . 0.0 109.963 176.337 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 57' ' ' GLU . . . . . 0.4 ' HA ' ' HB2' ' A' ' 60' ' ' ARG . 11.1 tt0 -73.32 -20.92 60.68 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-O 120.55 0.214 . . . . 0.0 110.684 178.146 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 58' ' ' VAL . . . . . 0.523 ' O ' ' HB3' ' A' ' 61' ' ' ARG . 77.1 t -63.7 -55.17 24.14 Favored 'Isoleucine or valine' 0 C--O 1.238 0.474 0 N-CA-C 108.779 -0.823 . . . . 0.0 108.779 168.659 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 59' ' ' ILE . . . . . . . . . . . . . 1.7 mp -56.37 -39.71 62.43 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.633 0 CA-C-N 114.791 -1.095 . . . . 0.0 110.483 176.295 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 60' ' ' ARG . . . . . 0.588 ' HG3' HD13 ' A' ' 56' ' ' LEU . 26.5 mtp180 -76.42 -20.77 56.76 Favored 'General case' 0 C--N 1.332 -0.187 0 N-CA-C 111.943 0.349 . . . . 0.0 111.943 -179.652 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 61' ' ' ARG . . . . . 0.594 ' NH1' ' HA ' ' A' ' 37' ' ' ASP . 14.8 tpt180 -57.69 -40.25 79.03 Favored 'General case' 0 C--N 1.328 -0.343 0 N-CA-C 108.425 -0.954 . . . . 0.0 108.425 171.195 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 62' ' ' PHE . . . . . . . . . . . . . 93.0 m-85 -79.58 -38.28 34.4 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 115.128 -0.942 . . . . 0.0 111.351 174.814 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 63' ' ' GLU . . . . . 0.574 ' HB3' ' HA ' ' A' ' 60' ' ' ARG . 40.4 tt0 -59.02 -56.86 16.77 Favored 'General case' 0 N--CA 1.469 0.496 0 N-CA-C 112.004 0.372 . . . . 0.0 112.004 -176.917 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 3.6 m-20 -59.57 -29.01 67.65 Favored 'General case' 0 N--CA 1.464 0.256 0 CA-C-O 120.973 0.416 . . . . 0.0 110.914 -178.49 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 40.0 ttm180 -73.46 -32.61 64.44 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-N 115.779 -0.646 . . . . 0.0 111.094 -179.944 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 101.89 17.74 19.97 Favored Glycine 0 N--CA 1.449 -0.461 0 C-N-CA 120.558 -0.829 . . . . 0.0 111.878 -176.583 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -104.56 83.16 2.0 Favored 'General case' 0 C--N 1.324 -0.508 0 N-CA-C 109.742 -0.466 . . . . 0.0 109.742 177.983 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 68' ' ' MET . . . . . . . . . . . . . 57.9 mmm -79.3 -37.03 38.71 Favored 'General case' 0 C--N 1.323 -0.554 0 CA-C-N 116.089 -0.505 . . . . 0.0 111.303 -171.108 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 69' ' ' GLU . . . . . 0.529 ' O ' ' HG3' ' A' ' 73' ' ' LYS . 51.2 mm-40 -61.93 -48.12 81.84 Favored 'General case' 0 C--N 1.326 -0.427 0 N-CA-C 110.072 -0.344 . . . . 0.0 110.072 176.253 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 63.9 mtt85 -62.09 -33.46 74.49 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.114 -0.494 . . . . 0.0 111.036 177.892 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -63.92 -38.42 91.01 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-O 120.932 0.396 . . . . 0.0 110.857 178.149 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 72' ' ' ASN . . . . . . . . . . . . . 66.5 t30 -78.08 -35.35 49.52 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 116.35 -0.386 . . . . 0.0 110.234 178.833 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 73' ' ' LYS . . . . . 0.529 ' HG3' ' O ' ' A' ' 69' ' ' GLU . 68.9 mttm -57.05 -47.64 80.47 Favored 'General case' 0 CA--C 1.522 -0.116 0 N-CA-C 109.627 -0.509 . . . . 0.0 109.627 173.813 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -58.55 -50.23 74.55 Favored 'General case' 0 N--CA 1.453 -0.286 0 CA-C-N 115.714 -0.676 . . . . 0.0 110.491 176.255 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 29.4 ttm180 -49.49 -60.8 2.52 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 115.361 -0.836 . . . . 0.0 112.143 -177.166 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 76' ' ' ARG . . . . . 0.434 HH11 ' HD3' ' A' ' 76' ' ' ARG . 17.2 mtm180 -78.03 -28.54 49.09 Favored 'General case' 0 C--N 1.327 -0.407 0 N-CA-C 111.983 0.364 . . . . 0.0 111.983 -172.178 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 77' ' ' ARG . . . . . 0.467 ' O ' HG23 ' A' ' 81' ' ' VAL . 46.8 mtt180 -79.12 -28.14 42.92 Favored 'General case' 0 C--N 1.328 -0.352 0 C-N-CA 120.41 -0.516 . . . . 0.0 111.525 -179.164 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 78' ' ' CYS . . . . . . . . . . . . . 96.1 m -64.87 -41.9 95.27 Favored 'General case' 0 C--N 1.33 -0.277 0 N-CA-C 108.756 -0.831 . . . . 0.0 108.756 169.543 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . -57.55 -35.09 71.35 Favored Glycine 0 N--CA 1.448 -0.509 0 CA-C-N 115.526 -0.761 . . . . 0.0 112.199 173.61 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 33.7 tt0 -66.81 -41.36 87.68 Favored 'General case' 0 C--N 1.331 -0.207 0 N-CA-C 110.193 -0.299 . . . . 0.0 110.193 177.277 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 81' ' ' VAL . . . . . 0.467 HG23 ' O ' ' A' ' 77' ' ' ARG . 59.1 t -62.7 -44.85 99.79 Favored 'Isoleucine or valine' 0 C--O 1.234 0.259 0 CA-C-O 120.776 0.322 . . . . 0.0 110.417 176.81 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 82' ' ' PHE . . . . . 0.502 ' O ' HG13 ' A' ' 86' ' ' ILE . 36.2 m-85 -58.41 -50.55 73.27 Favored 'General case' 0 C--N 1.333 -0.151 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.232 175.646 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 6.0 ttp180 -56.82 -39.57 74.44 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 115.489 -0.778 . . . . 0.0 111.286 178.646 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 84' ' ' TYR . . . . . . . . . . . . . 37.4 t80 -64.85 -52.56 55.98 Favored 'General case' 0 C--O 1.219 -0.532 0 CA-C-N 116.3 -0.409 . . . . 0.0 110.088 179.139 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 85' ' ' ALA . . . . . 0.606 ' HA ' ' HB ' ' A' ' 88' ' ' THR . . . -55.05 -28.95 56.16 Favored 'General case' 0 C--N 1.327 -0.408 0 N-CA-C 111.951 0.352 . . . . 0.0 111.951 178.293 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 86' ' ' ILE . . . . . 0.502 HG13 ' O ' ' A' ' 82' ' ' PHE . 82.6 mt -66.18 -50.79 66.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.722 -0.217 . . . . 0.0 110.691 176.635 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 87' ' ' VAL . . . . . . . . . . . . . 29.7 m -73.48 -24.37 20.19 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.218 0 CA-C-O 121.251 0.548 . . . . 0.0 110.497 177.747 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 88' ' ' THR . . . . . 0.606 ' HB ' ' HA ' ' A' ' 85' ' ' ALA . 25.6 m -65.99 -31.8 72.92 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 115.32 -0.854 . . . . 0.0 110.775 173.022 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . 95.25 21.48 24.84 Favored Glycine 0 N--CA 1.448 -0.534 0 C-N-CA 120.76 -0.733 . . . . 0.0 112.271 179.145 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 60.7 mtt85 -118.33 1.89 11.86 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-O 120.859 0.362 . . . . 0.0 110.952 179.592 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 91' ' ' ALA . . . . . 0.467 ' O ' ' HA ' ' A' ' 86' ' ' ILE . . . -142.3 135.98 29.28 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-N 116.387 -0.37 . . . . 0.0 110.343 176.103 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 86.8 tttt -100.16 -42.22 6.79 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-O 121.42 0.628 . . . . 0.0 109.76 178.326 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 93' ' ' TYR . . . . . . . . . . . . . 43.5 p90 -139.46 172.89 12.15 Favored 'General case' 0 C--N 1.323 -0.562 0 N-CA-C 108.797 -0.816 . . . . 0.0 108.797 174.031 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 94' ' ' ASN . . . . . 0.421 ' HB3' ' HB3' ' A' ' 82' ' ' PHE . 25.1 p30 -131.39 157.78 77.14 Favored Pre-proline 0 C--N 1.321 -0.673 0 CA-C-O 120.702 0.287 . . . . 0.0 110.979 -176.879 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 95' ' ' PRO . . . . . 0.435 ' HG2' ' HB ' ' A' ' 50' ' ' ILE . 3.3 Cg_exo -78.86 19.89 0.84 Allowed 'Trans proline' 0 CA--C 1.53 0.323 0 C-N-CA 123.028 2.485 . . . . 0.0 112.64 176.753 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 96' ' ' ALA . . . . . 0.556 ' N ' ' HD2' ' A' ' 97' ' ' PRO . . . -65.87 -45.59 64.77 Favored Pre-proline 0 CA--C 1.539 0.53 0 N-CA-C 111.75 0.278 . . . . 0.0 111.75 179.662 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 97' ' ' PRO . . . . . 0.556 ' HD2' ' N ' ' A' ' 96' ' ' ALA . 10.2 Cg_endo -55.69 -35.18 92.69 Favored 'Trans proline' 0 C--N 1.355 0.903 0 C-N-CA 122.144 1.896 . . . . 0.0 112.165 173.231 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 14.5 m-20 -77.85 -30.46 50.95 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.5 179.539 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 99' ' ' LEU . . . . . 0.646 HD11 ' HE3' ' A' ' 103' ' ' MET . 3.2 tm? -60.19 -50.51 73.39 Favored 'General case' 0 C--N 1.329 -0.295 0 N-CA-C 109.12 -0.696 . . . . 0.0 109.12 172.472 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 100' ' ' ALA . . . . . . . . . . . . . . . -62.04 -36.98 83.25 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 115.808 -0.633 . . . . 0.0 110.581 178.004 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 9.5 t70 -60.02 -55.75 30.15 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 115.754 -0.657 . . . . 0.0 110.876 177.894 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -64.26 -42.16 96.6 Favored 'General case' 0 C--N 1.323 -0.563 0 CA-C-N 115.686 -0.688 . . . . 0.0 110.929 -177.873 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 103' ' ' MET . . . . . 0.646 ' HE3' HD11 ' A' ' 99' ' ' LEU . 50.6 ttm -63.86 -31.0 72.03 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.018 -0.537 . . . . 0.0 110.979 179.893 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 104' ' ' LYS . . . . . . . . . . . . . 50.5 tttm . . . . . 0 C--N 1.326 -0.414 0 CA-C-N 116.289 -0.414 . . . . 0.0 110.528 177.429 . . . . . . . . 0 0 . 1 . 014 nuclear build core ' A' A ' 5' ' ' ASN . . . . . 0.413 HD22 ' N ' ' A' ' 5' ' ' ASN . 0.9 OUTLIER . . . . . 0 C--O 1.232 0.147 0 CA-C-O 120.652 0.263 . . . . 0.0 111.224 . . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 6' ' ' SER . . . . . 0.547 ' HA ' ' HA ' ' A' ' 46' ' ' GLU . 49.8 m -65.71 145.23 56.27 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-O 120.7 0.286 . . . . 0.0 110.242 176.555 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 7' ' ' PHE . . . . . . . . . . . . . 45.2 t80 -56.05 -42.21 76.26 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 115.915 -0.584 . . . . 0.0 111.0 -176.457 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 45.7 t -53.61 -38.86 64.42 Favored 'General case' 0 C--O 1.234 0.248 0 CA-C-N 116.38 -0.373 . . . . 0.0 111.619 179.11 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -70.57 -50.18 40.02 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.007 -176.722 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 10' ' ' ILE . . . . . 0.414 HD13 ' HB2' ' A' ' 85' ' ' ALA . 80.5 mt -69.9 -38.47 75.69 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 CA-C-N 115.936 -0.574 . . . . 0.0 110.651 -178.558 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 43.6 t80 -56.97 -41.73 78.88 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.812 175.457 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 66.4 tttm -66.22 -43.33 87.0 Favored 'General case' 0 C--N 1.329 -0.294 0 C-N-CA 120.711 -0.396 . . . . 0.0 110.673 -179.56 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 37.1 tt0 -63.32 -44.93 93.53 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.865 0.364 . . . . 0.0 110.253 178.478 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 14' ' ' TRP . . . . . . . . . . . . . 66.0 t90 -60.03 -50.29 74.32 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 115.87 -0.605 . . . . 0.0 110.525 177.028 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 15' ' ' TYR . . . . . 0.457 ' CE1' ' HB2' ' A' ' 31' ' ' ALA . 17.8 t80 -60.18 -48.05 83.37 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.179 178.331 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 28.9 tt0 -63.5 -35.91 82.04 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-O 121.06 0.457 . . . . 0.0 110.469 -176.602 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 17' ' ' HIS . . . . . . . . . . . . . 63.7 t60 -71.81 -44.26 64.23 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 115.827 -0.624 . . . . 0.0 110.423 178.082 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 24.7 mmtm -73.57 -19.18 60.96 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.342 -0.39 . . . . 0.0 111.51 179.5 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 63.8 tttm -65.77 -19.16 65.79 Favored 'General case' 0 C--N 1.324 -0.543 0 CA-C-O 121.267 0.556 . . . . 0.0 109.977 177.699 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 71.6 mt-30 -88.03 -8.77 55.11 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 115.744 -0.662 . . . . 0.0 110.326 177.994 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 57.4 t -102.45 -47.95 10.95 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 CA-C-N 116.026 -0.534 . . . . 0.0 111.171 -176.12 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 22' ' ' TRP . . . . . . . . . . . . . 10.5 m0 -86.23 172.59 10.39 Favored 'General case' 0 C--N 1.322 -0.614 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.934 -177.562 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 43.6 m -78.37 152.87 32.06 Favored 'General case' 0 C--N 1.324 -0.507 0 N-CA-C 109.232 -0.655 . . . . 0.0 109.232 171.957 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 8.4 p -61.44 -31.09 49.51 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-O 120.591 0.234 . . . . 0.0 111.472 -174.237 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -64.59 -57.25 13.22 Favored Glycine 0 C--N 1.331 0.261 0 C-N-CA 120.859 -0.686 . . . . 0.0 112.075 178.689 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 26' ' ' TYR . . . . . . . . . . . . . 64.5 t80 -57.69 -41.77 82.31 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-O 120.778 0.323 . . . . 0.0 110.564 176.947 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -61.16 -45.04 96.28 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.01 -0.541 . . . . 0.0 111.359 -179.199 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 58.6 m -62.97 -45.72 91.11 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-O 120.897 0.38 . . . . 0.0 110.73 179.216 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 15.2 tp10 -58.64 -52.57 65.12 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 115.729 -0.668 . . . . 0.0 110.891 -179.577 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 10.4 tt -63.9 -43.5 95.79 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 115.737 -0.665 . . . . 0.0 110.47 -178.274 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 31' ' ' ALA . . . . . 0.457 ' HB2' ' CE1' ' A' ' 15' ' ' TYR . . . -64.62 -42.84 95.23 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 116.074 -0.512 . . . . 0.0 111.794 -177.104 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 32' ' ' LYS . . . . . 0.475 ' O ' ' HB2' ' A' ' 36' ' ' ASP . 56.4 tttp -65.02 -53.2 49.77 Favored 'General case' 0 C--O 1.22 -0.477 0 C-N-CA 120.191 -0.604 . . . . 0.0 111.19 -176.423 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 33' ' ' MET . . . . . 0.49 ' SD ' ' HD2' ' A' ' 70' ' ' ARG . 26.2 ptt? -58.36 -39.46 79.62 Favored 'General case' 0 C--O 1.236 0.345 0 C-N-CA 120.694 -0.402 . . . . 0.0 110.814 -177.279 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 34' ' ' PHE . . . . . 0.443 ' CD2' HD12 ' A' ' 38' ' ' ILE . 0.2 OUTLIER -66.38 -56.26 11.9 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 115.875 -0.602 . . . . 0.0 110.483 179.26 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 35' ' ' ASP . . . . . 0.95 ' HA ' HD23 ' A' ' 39' ' ' LEU . 14.2 t70 -62.05 -48.55 79.75 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-O 120.906 0.384 . . . . 0.0 111.616 -179.0 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 36' ' ' ASP . . . . . 0.475 ' HB2' ' O ' ' A' ' 32' ' ' LYS . 4.4 t70 -57.16 -43.55 82.64 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-N 115.7 -0.682 . . . . 0.0 111.865 -173.454 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -100.02 -44.33 6.05 Favored 'General case' 0 C--N 1.328 -0.353 0 N-CA-C 112.657 0.614 . . . . 0.0 112.657 -175.427 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 38' ' ' ILE . . . . . 0.584 HG12 HG13 ' A' ' 58' ' ' VAL . 34.2 mt -79.05 -33.0 15.59 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 N-CA-C 112.632 0.604 . . . . 0.0 112.632 -169.848 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 39' ' ' LEU . . . . . 0.95 HD23 ' HA ' ' A' ' 35' ' ' ASP . 2.5 mm? -59.68 -48.2 95.85 Favored Pre-proline 0 CA--C 1.536 0.435 0 N-CA-C 112.206 0.447 . . . . 0.0 112.206 -178.399 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 31.6 Cg_exo -62.04 -16.42 49.98 Favored 'Trans proline' 0 C--N 1.351 0.663 0 C-N-CA 121.87 1.713 . . . . 0.0 113.133 175.428 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 41' ' ' ILE . . . . . 0.576 HG22 HG23 ' A' ' 42' ' ' ILE . 66.4 mt -91.95 -58.48 3.57 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.211 0 N-CA-C 111.644 0.238 . . . . 0.0 111.644 -177.561 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 42' ' ' ILE . . . . . 0.576 HG23 HG22 ' A' ' 41' ' ' ILE . 12.2 pt -128.6 3.69 2.95 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.287 0 N-CA-C 111.956 0.354 . . . . 0.0 111.956 -177.835 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 43' ' ' GLY . . . . . 0.562 ' HA3' HD13 ' A' ' 39' ' ' LEU . . . -60.7 -35.56 89.94 Favored Glycine 0 N--CA 1.452 -0.265 0 C-N-CA 120.712 -0.756 . . . . 0.0 112.56 -176.676 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -89.92 5.23 83.4 Favored Glycine 0 N--CA 1.446 -0.676 0 C-N-CA 120.887 -0.673 . . . . 0.0 112.57 179.776 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 96.0 mt -95.63 148.35 22.63 Favored 'General case' 0 C--N 1.328 -0.33 0 N-CA-C 110.039 -0.356 . . . . 0.0 110.039 -179.67 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 46' ' ' GLU . . . . . 0.547 ' HA ' ' HA ' ' A' ' 6' ' ' SER . 36.2 mt-10 -76.79 130.25 37.41 Favored 'General case' 0 C--N 1.322 -0.62 0 N-CA-C 109.062 -0.718 . . . . 0.0 109.062 176.786 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 47' ' ' ILE . . . . . 0.565 HD11 ' HA ' ' A' ' 82' ' ' PHE . 15.4 tt -59.56 -20.67 19.18 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 CA-C-N 116.015 -0.539 . . . . 0.0 111.978 -170.52 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 84.9 mt-30 -78.26 -28.76 47.76 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 116.495 -0.32 . . . . 0.0 111.135 -179.905 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 25.2 m-20 -109.31 10.19 25.63 Favored 'General case' 0 C--N 1.329 -0.286 0 N-CA-C 112.132 0.419 . . . . 0.0 112.132 -171.507 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 50' ' ' ILE . . . . . . . . . . . . . 63.9 mt -67.41 125.56 25.19 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.562 0 CA-C-O 120.827 0.346 . . . . 0.0 110.179 177.432 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 51' ' ' GLU . . . . . 0.563 ' HG3' ' HB2' ' A' ' 54' ' ' GLN . 4.6 pt-20 -87.31 155.5 54.43 Favored Pre-proline 0 C--N 1.325 -0.494 0 CA-C-N 115.91 -0.586 . . . . 0.0 110.913 -177.236 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 52' ' ' PRO . . . . . 0.406 ' HD2' ' HB2' ' A' ' 51' ' ' GLU . 12.5 Cg_endo -56.1 -42.57 65.13 Favored 'Trans proline' 0 C--N 1.346 0.402 0 C-N-CA 123.205 2.603 . . . . 0.0 113.223 -178.321 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 53' ' ' MET . . . . . . . . . . . . . 63.9 mtt -78.95 -15.33 58.44 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.585 0.231 . . . . 0.0 111.568 -175.736 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 54' ' ' GLN . . . . . 0.563 ' HB2' ' HG3' ' A' ' 51' ' ' GLU . 41.8 tp60 -84.7 -37.73 20.6 Favored 'General case' 0 C--N 1.328 -0.368 0 N-CA-C 109.399 -0.593 . . . . 0.0 109.399 176.907 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 55' ' ' LEU . . . . . 0.425 ' O ' ' HB ' ' A' ' 58' ' ' VAL . 33.0 tp -68.81 -33.61 74.14 Favored 'General case' 0 C--N 1.326 -0.435 0 N-CA-C 108.691 -0.855 . . . . 0.0 108.691 172.597 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 47.0 tp -69.13 -26.91 65.13 Favored 'General case' 0 C--O 1.221 -0.437 0 CA-C-N 115.505 -0.771 . . . . 0.0 110.054 174.239 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 8.5 tt0 -65.07 -36.98 86.05 Favored 'General case' 0 C--N 1.329 -0.292 0 N-CA-C 109.429 -0.582 . . . . 0.0 109.429 176.788 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 58' ' ' VAL . . . . . 0.584 HG13 HG12 ' A' ' 38' ' ' ILE . 38.5 t -59.46 -50.8 78.57 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 CA-C-N 115.579 -0.737 . . . . 0.0 110.699 173.08 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 59' ' ' ILE . . . . . 0.404 HG21 ' CE ' ' A' ' 103' ' ' MET . 31.8 mm -68.74 -37.95 78.2 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.531 0 CA-C-N 116.424 -0.353 . . . . 0.0 110.354 -179.281 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 40.6 ttp85 -57.39 -36.42 71.27 Favored 'General case' 0 C--N 1.332 -0.171 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.172 174.081 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 61' ' ' ARG . . . . . 0.556 ' HB3' ' O ' ' A' ' 58' ' ' VAL . 24.8 tpt180 -59.27 -47.2 86.25 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 115.788 -0.642 . . . . 0.0 110.423 175.95 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 62' ' ' PHE . . . . . 0.477 ' O ' ' HB2' ' A' ' 65' ' ' ARG . 61.7 m-85 -70.18 -32.65 70.67 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.339 -0.391 . . . . 0.0 111.401 179.279 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 34.3 tt0 -64.98 -46.43 81.48 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 121.062 0.458 . . . . 0.0 110.137 175.201 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 35.4 t70 -65.68 -25.29 67.27 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 115.459 -0.791 . . . . 0.0 110.574 179.078 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 65' ' ' ARG . . . . . 0.477 ' HB2' ' O ' ' A' ' 62' ' ' PHE . 28.1 mtt-85 -64.75 -37.15 86.62 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 115.881 -0.6 . . . . 0.0 111.122 173.574 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 98.05 -1.54 59.38 Favored Glycine 0 N--CA 1.445 -0.702 0 N-CA-C 110.233 -1.147 . . . . 0.0 110.233 -169.194 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -90.1 72.47 7.31 Favored 'General case' 0 N--CA 1.452 -0.346 0 CA-C-N 115.132 -0.534 . . . . 0.0 109.64 178.236 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 68' ' ' MET . . . . . . . . . . . . . 69.1 mmm -69.82 -37.9 76.39 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-N 115.769 -0.65 . . . . 0.0 111.026 -173.897 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 27.1 mt-10 -67.68 -38.89 84.32 Favored 'General case' 0 C--N 1.321 -0.636 0 CA-C-N 115.986 -0.552 . . . . 0.0 110.499 -179.406 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 70' ' ' ARG . . . . . 0.49 ' HD2' ' SD ' ' A' ' 33' ' ' MET . 72.7 mtm180 -78.87 -17.31 55.8 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.337 -0.392 . . . . 0.0 111.004 176.57 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -68.59 -44.91 73.34 Favored 'General case' 0 C--N 1.332 -0.195 0 CA-C-O 121.147 0.498 . . . . 0.0 110.104 174.673 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 72' ' ' ASN . . . . . . . . . . . . . 38.9 m-80 -65.16 -36.36 83.98 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 115.714 -0.675 . . . . 0.0 109.988 175.306 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 84.6 tttt -67.5 -40.11 85.19 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.01 -0.541 . . . . 0.0 110.669 178.34 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -54.44 -43.46 71.63 Favored 'General case' 0 CA--C 1.521 -0.138 0 CA-C-O 120.86 0.362 . . . . 0.0 110.347 176.213 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 75' ' ' ARG . . . . . 0.4 ' HG3' ' CD1' ' A' ' 99' ' ' LEU . 28.2 ttm180 -57.71 -51.99 67.28 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 115.654 -0.703 . . . . 0.0 110.952 179.377 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 34.9 ttm180 -64.04 -45.26 89.65 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 115.919 -0.582 . . . . 0.0 111.35 -176.906 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 77' ' ' ARG . . . . . 0.422 HH11 ' HD2' ' A' ' 77' ' ' ARG . 2.0 mmp_? -65.71 -42.25 91.32 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.502 -0.317 . . . . 0.0 111.046 -177.776 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 78' ' ' CYS . . . . . 0.502 ' O ' ' HD1' ' A' ' 82' ' ' PHE . 80.7 m -62.6 -45.43 92.91 Favored 'General case' 0 C--N 1.333 -0.127 0 C-N-CA 121.255 -0.178 . . . . 0.0 110.54 178.575 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . -57.95 -34.42 71.99 Favored Glycine 0 C--N 1.333 0.412 0 C-N-CA 120.84 -0.695 . . . . 0.0 111.979 177.508 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 31.0 tt0 -67.11 -39.75 86.74 Favored 'General case' 0 C--N 1.329 -0.299 0 N-CA-C 110.115 -0.328 . . . . 0.0 110.115 177.237 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 89.3 t -63.11 -44.76 99.65 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.196 0 CA-C-O 120.839 0.352 . . . . 0.0 110.483 177.02 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 82' ' ' PHE . . . . . 0.565 ' HA ' HD11 ' A' ' 47' ' ' ILE . 47.9 m-85 -58.9 -47.16 85.95 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.649 177.181 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 83' ' ' ARG . . . . . 0.438 ' HA ' HD12 ' A' ' 86' ' ' ILE . 20.7 ttp85 -68.07 -33.81 75.25 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.334 -0.393 . . . . 0.0 110.586 -179.972 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 84' ' ' TYR . . . . . . . . . . . . . 21.8 t80 -59.55 -41.24 89.64 Favored 'General case' 0 C--N 1.329 -0.29 0 N-CA-C 109.419 -0.585 . . . . 0.0 109.419 176.098 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 85' ' ' ALA . . . . . 0.51 ' HA ' ' OG1' ' A' ' 88' ' ' THR . . . -69.25 -30.96 69.21 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-N 115.438 -0.801 . . . . 0.0 111.034 177.88 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 86' ' ' ILE . . . . . 0.496 HG13 ' O ' ' A' ' 82' ' ' PHE . 73.1 mt -64.55 -47.08 90.63 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.397 0 CA-C-O 121.095 0.474 . . . . 0.0 109.987 175.991 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 87' ' ' VAL . . . . . 0.413 HG23 ' O ' ' A' ' 83' ' ' ARG . 54.3 t -65.4 -35.09 74.48 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.364 0 CA-C-N 115.735 -0.666 . . . . 0.0 111.003 179.537 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 88' ' ' THR . . . . . 0.51 ' OG1' ' HA ' ' A' ' 85' ' ' ALA . 17.2 p -83.57 2.85 35.18 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 116.43 -0.35 . . . . 0.0 111.651 -179.11 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . 70.57 41.24 65.96 Favored Glycine 0 C--N 1.332 0.339 0 C-N-CA 121.088 -0.577 . . . . 0.0 112.578 176.573 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 76.9 mtt180 -124.29 -29.05 3.59 Favored 'General case' 0 C--N 1.323 -0.56 0 CA-C-O 120.751 0.31 . . . . 0.0 110.971 -179.463 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 91' ' ' ALA . . . . . 0.406 ' O ' ' HA ' ' A' ' 86' ' ' ILE . . . -118.42 137.38 53.19 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-O 120.866 0.365 . . . . 0.0 110.8 179.786 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 77.9 tttt -104.82 -37.25 7.1 Favored 'General case' 0 C--N 1.321 -0.632 0 CA-C-N 115.846 -0.615 . . . . 0.0 110.844 178.655 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 93' ' ' TYR . . . . . . . . . . . . . 91.6 t80 -139.0 137.56 36.45 Favored 'General case' 0 C--N 1.324 -0.531 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.853 -176.169 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 94' ' ' ASN . . . . . . . . . . . . . 10.2 p30 -113.49 138.75 22.66 Favored Pre-proline 0 C--N 1.326 -0.426 0 N-CA-C 109.508 -0.553 . . . . 0.0 109.508 174.77 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 95' ' ' PRO . . . . . . . . . . . . . 85.1 Cg_endo -82.17 28.54 0.56 Allowed 'Trans proline' 0 N--CA 1.463 -0.317 0 C-N-CA 122.72 2.28 . . . . 0.0 112.464 179.689 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 96' ' ' ALA . . . . . 0.572 ' N ' ' HD2' ' A' ' 97' ' ' PRO . . . -65.6 -45.53 67.6 Favored Pre-proline 0 CA--C 1.537 0.475 0 N-CA-C 112.577 0.584 . . . . 0.0 112.577 -177.739 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 97' ' ' PRO . . . . . 0.572 ' HD2' ' N ' ' A' ' 96' ' ' ALA . 5.7 Cg_endo -51.53 -45.74 35.87 Favored 'Trans proline' 0 C--N 1.358 1.035 0 C-N-CA 122.093 1.862 . . . . 0.0 112.486 175.06 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 8.4 m-20 -80.52 -21.27 42.03 Favored 'General case' 0 C--O 1.224 -0.261 0 C-N-CA 121.096 -0.241 . . . . 0.0 111.353 179.104 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 99' ' ' LEU . . . . . 0.437 ' HB3' ' O ' ' A' ' 96' ' ' ALA . 2.5 tm? -59.68 -50.43 73.88 Favored 'General case' 0 C--N 1.327 -0.403 0 N-CA-C 109.219 -0.66 . . . . 0.0 109.219 173.603 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 100' ' ' ALA . . . . . . . . . . . . . . . -68.71 -34.73 76.14 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 115.684 -0.689 . . . . 0.0 110.662 179.038 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 30.3 t70 -69.82 -41.21 75.29 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 116.013 -0.54 . . . . 0.0 111.151 -178.684 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -66.58 -48.22 70.29 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.287 178.036 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 103' ' ' MET . . . . . 0.404 ' CE ' HG21 ' A' ' 59' ' ' ILE . 38.3 ttm -50.63 -47.13 58.52 Favored 'General case' 0 N--CA 1.464 0.266 0 CA-C-N 116.005 -0.543 . . . . 0.0 111.111 171.767 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 104' ' ' LYS . . . . . . . . . . . . . 36.2 tttm . . . . . 0 C--N 1.325 -0.493 0 CA-C-N 115.546 -0.752 . . . . 0.0 111.217 179.427 . . . . . . . . 0 0 . 1 . 015 nuclear build core ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 83.8 m-20 . . . . . 0 C--O 1.233 0.22 0 CA-C-O 120.94 0.4 . . . . 0.0 110.728 . . . . . . . . . 0 0 . 1 . 015 nuclear build core ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 61.8 m -62.92 141.43 58.71 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 115.976 -0.556 . . . . 0.0 109.797 175.668 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 7' ' ' PHE . . . . . 0.648 ' HE1' ' HZ ' ' A' ' 34' ' ' PHE . 5.3 t80 -58.54 -43.84 89.43 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 116.375 -0.375 . . . . 0.0 110.716 -175.972 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 50.1 m -57.59 -39.31 76.53 Favored 'General case' 0 CA--C 1.531 0.245 0 CA-C-N 116.488 -0.324 . . . . 0.0 111.674 178.973 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -66.11 -51.49 57.45 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.998 0.428 . . . . 0.0 110.942 -177.241 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 57.6 mt -66.07 -35.29 74.68 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.396 0 CA-C-N 115.963 -0.562 . . . . 0.0 110.516 -179.343 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 11' ' ' TYR . . . . . 0.534 ' OH ' ' HA ' ' A' ' 31' ' ' ALA . 90.8 t80 -61.08 -42.94 99.43 Favored 'General case' 0 C--O 1.223 -0.31 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.582 176.319 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 84.1 tttt -65.21 -34.29 78.01 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-O 120.646 0.26 . . . . 0.0 111.167 -176.904 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 47.4 tt0 -66.46 -51.17 59.66 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 121.175 0.512 . . . . 0.0 109.899 176.015 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 14' ' ' TRP . . . . . 0.411 ' HZ3' ' CE1' ' A' ' 11' ' ' TYR . 62.6 t90 -61.34 -45.46 94.32 Favored 'General case' 0 C--O 1.237 0.427 0 CA-C-N 115.286 -0.87 . . . . 0.0 110.999 179.111 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 15' ' ' TYR . . . . . 0.495 ' CE1' ' HB2' ' A' ' 31' ' ' ALA . 22.0 t80 -58.09 -56.2 25.07 Favored 'General case' 0 C--O 1.224 -0.287 0 CA-C-N 116.046 -0.525 . . . . 0.0 111.345 179.859 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 21.5 tt0 -63.97 -23.96 67.54 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.899 0.38 . . . . 0.0 110.668 -173.924 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 17' ' ' HIS . . . . . . . . . . . . . 75.4 t60 -69.78 -58.73 3.55 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-O 121.03 0.443 . . . . 0.0 110.419 175.289 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 81.5 mttt -77.89 -3.78 43.41 Favored 'General case' 0 C--N 1.329 -0.286 0 N-CA-C 111.776 0.287 . . . . 0.0 111.776 -177.035 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 83.7 tttt -64.27 -21.9 66.76 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-O 121.165 0.507 . . . . 0.0 109.892 174.997 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 92.6 mt-30 -85.86 -15.3 42.28 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 115.833 -0.621 . . . . 0.0 110.474 178.206 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 52.1 t -88.13 -53.48 9.67 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.385 0 CA-C-O 121.209 0.528 . . . . 0.0 110.358 -178.523 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 22' ' ' TRP . . . . . . . . . . . . . 8.0 m0 -78.41 171.65 14.78 Favored 'General case' 0 C--N 1.321 -0.662 0 CA-C-N 115.764 -0.653 . . . . 0.0 110.111 -179.865 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 36.4 p -73.94 149.02 41.64 Favored 'General case' 0 C--N 1.32 -0.693 0 N-CA-C 109.592 -0.521 . . . . 0.0 109.592 175.945 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 11.4 p -59.28 -36.15 61.95 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.392 0 CA-C-O 120.682 0.277 . . . . 0.0 111.236 -177.238 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -67.28 -42.85 90.05 Favored Glycine 0 N--CA 1.449 -0.459 0 C-N-CA 120.928 -0.653 . . . . 0.0 111.761 179.08 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 26' ' ' TYR . . . . . . . . . . . . . 70.1 t80 -70.61 -41.14 72.68 Favored 'General case' 0 C--N 1.325 -0.493 0 N-CA-C 110.257 -0.275 . . . . 0.0 110.257 179.023 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -62.47 -42.96 99.85 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.308 -0.406 . . . . 0.0 111.026 -179.368 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 61.5 m -62.21 -44.41 96.64 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.3 -0.409 . . . . 0.0 110.655 178.442 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 29' ' ' GLU . . . . . 0.593 ' O ' ' HG3' ' A' ' 33' ' ' MET . 10.8 tp10 -67.43 -46.19 73.87 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.41 -0.359 . . . . 0.0 110.572 -179.821 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 10.3 tt -57.1 -47.51 80.89 Favored 'General case' 0 C--O 1.235 0.294 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.58 -179.95 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 31' ' ' ALA . . . . . 0.534 ' HA ' ' OH ' ' A' ' 11' ' ' TYR . . . -65.55 -37.39 86.58 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 116.356 -0.384 . . . . 0.0 110.656 179.307 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 32' ' ' LYS . . . . . 0.521 ' O ' ' HB2' ' A' ' 36' ' ' ASP . 54.0 tttm -63.37 -44.32 95.1 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.547 -0.297 . . . . 0.0 110.688 178.076 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 33' ' ' MET . . . . . 0.593 ' HG3' ' O ' ' A' ' 29' ' ' GLU . 38.2 mtm -57.06 -40.97 77.89 Favored 'General case' 0 N--CA 1.464 0.245 0 CA-C-O 121.433 0.635 . . . . 0.0 110.314 178.194 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 34' ' ' PHE . . . . . 0.692 ' O ' ' HB ' ' A' ' 38' ' ' ILE . 8.3 t80 -71.23 -45.65 62.82 Favored 'General case' 0 N--CA 1.449 -0.48 0 CA-C-N 115.355 -0.838 . . . . 0.0 110.016 -177.179 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 35' ' ' ASP . . . . . 0.865 ' HA ' ' HG ' ' A' ' 39' ' ' LEU . 10.5 t70 -58.74 -58.52 8.21 Favored 'General case' 0 C--N 1.322 -0.6 0 CA-C-N 115.773 -0.649 . . . . 0.0 110.023 176.188 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 36' ' ' ASP . . . . . 0.521 ' HB2' ' O ' ' A' ' 32' ' ' LYS . 1.0 OUTLIER -52.67 -46.19 67.09 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 114.441 -1.254 . . . . 0.0 113.33 -170.979 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 37' ' ' ASP . . . . . 0.426 ' O ' HG12 ' A' ' 41' ' ' ILE . 37.8 m-20 -110.96 -42.84 3.88 Favored 'General case' 0 C--N 1.326 -0.444 0 N-CA-C 112.506 0.558 . . . . 0.0 112.506 -172.479 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 38' ' ' ILE . . . . . 0.692 ' HB ' ' O ' ' A' ' 34' ' ' PHE . 1.5 mp -69.65 -39.82 78.64 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 CA-C-O 120.418 0.152 . . . . 0.0 111.31 -174.75 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 39' ' ' LEU . . . . . 0.865 ' HG ' ' HA ' ' A' ' 35' ' ' ASP . 13.7 mt -63.7 -47.28 82.31 Favored Pre-proline 0 CA--C 1.534 0.34 0 N-CA-C 112.796 0.665 . . . . 0.0 112.796 -172.926 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 40' ' ' PRO . . . . . 0.45 ' HD3' ' HB2' ' A' ' 39' ' ' LEU . 55.6 Cg_exo -54.99 -26.62 50.35 Favored 'Trans proline' 0 C--N 1.351 0.696 0 C-N-CA 121.862 1.708 . . . . 0.0 112.542 175.019 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 41' ' ' ILE . . . . . 0.545 HG22 HG23 ' A' ' 42' ' ' ILE . 31.6 mm -88.82 -64.03 1.21 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.352 0 CA-C-N 116.663 -0.244 . . . . 0.0 111.299 -176.391 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 42' ' ' ILE . . . . . 0.545 HG23 HG22 ' A' ' 41' ' ' ILE . 11.3 pt -128.82 8.4 2.75 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.256 0 N-CA-C 112.532 0.568 . . . . 0.0 112.532 -174.725 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 43' ' ' GLY . . . . . 0.547 ' HA3' ' HA ' ' A' ' 39' ' ' LEU . . . -61.7 -38.63 96.21 Favored Glycine 0 C--O 1.237 0.32 0 C-N-CA 120.483 -0.865 . . . . 0.0 112.848 -176.204 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -89.53 9.11 78.27 Favored Glycine 0 N--CA 1.445 -0.736 0 C-N-CA 120.816 -0.707 . . . . 0.0 112.301 -178.937 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 45' ' ' LEU . . . . . 0.422 HD12 ' HA ' ' A' ' 42' ' ' ILE . 96.6 mt -94.63 157.04 16.14 Favored 'General case' 0 C--N 1.327 -0.391 0 N-CA-C 109.923 -0.399 . . . . 0.0 109.923 178.432 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 44.1 mt-10 -81.15 140.8 34.78 Favored 'General case' 0 C--N 1.323 -0.572 0 N-CA-C 109.331 -0.618 . . . . 0.0 109.331 175.964 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 47' ' ' ILE . . . . . 0.523 HD13 ' HB2' ' A' ' 85' ' ' ALA . 15.5 tt -65.94 -12.96 14.97 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.699 0 CA-C-O 121.367 0.603 . . . . 0.0 111.113 -176.921 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 86.7 mt-30 -89.49 -14.61 34.89 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 115.943 -0.572 . . . . 0.0 110.907 179.903 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 20.1 t70 -139.79 83.18 1.91 Allowed 'General case' 0 C--N 1.323 -0.545 0 CA-C-O 121.148 0.499 . . . . 0.0 110.62 -174.706 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 50' ' ' ILE . . . . . . . . . . . . . 77.3 mt -134.12 131.04 55.36 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 CA-C-N 115.493 -0.776 . . . . 0.0 109.867 177.307 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 39.1 mt-10 -76.88 138.94 65.68 Favored Pre-proline 0 C--N 1.324 -0.533 0 CA-C-N 116.461 -0.336 . . . . 0.0 110.498 179.759 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 52' ' ' PRO . . . . . 0.52 ' HB3' ' HB3' ' A' ' 98' ' ' ASP . 9.4 Cg_endo -54.21 -37.51 87.86 Favored 'Trans proline' 0 C--N 1.344 0.338 0 C-N-CA 122.78 2.32 . . . . 0.0 112.313 177.727 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 53' ' ' MET . . . . . . . . . . . . . 92.0 mmm -67.88 -30.1 69.37 Favored 'General case' 0 C--N 1.332 -0.187 0 CA-C-N 116.561 -0.291 . . . . 0.0 111.247 179.443 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 78.5 mt-30 -74.33 -36.77 63.69 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-O 120.978 0.418 . . . . 0.0 110.531 177.407 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 55' ' ' LEU . . . . . 0.662 HD23 ' HB2' ' A' ' 99' ' ' LEU . 19.9 tp -67.02 -36.38 81.99 Favored 'General case' 0 C--N 1.322 -0.625 0 N-CA-C 109.145 -0.687 . . . . 0.0 109.145 175.417 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 56' ' ' LEU . . . . . 0.499 HD22 ' O ' ' A' ' 56' ' ' LEU . 1.9 tm? -69.57 -34.47 74.22 Favored 'General case' 0 C--O 1.219 -0.533 0 CA-C-N 115.611 -0.722 . . . . 0.0 109.86 175.451 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 34.0 tt0 -61.26 -32.87 72.69 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.94 0.4 . . . . 0.0 110.262 177.668 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 58' ' ' VAL . . . . . 0.474 ' O ' ' HB3' ' A' ' 61' ' ' ARG . 75.8 t -64.54 -54.57 28.81 Favored 'Isoleucine or valine' 0 C--O 1.237 0.422 0 CA-C-O 121.336 0.589 . . . . 0.0 110.601 174.611 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 59' ' ' ILE . . . . . . . . . . . . . 1.7 mp -58.76 -41.59 82.96 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 CA-C-N 115.675 -0.693 . . . . 0.0 110.025 177.271 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 17.6 tpt180 -66.3 -30.26 70.64 Favored 'General case' 0 C--N 1.324 -0.524 0 CA-C-N 115.292 -0.867 . . . . 0.0 110.438 -179.516 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 61' ' ' ARG . . . . . 0.474 ' HB3' ' O ' ' A' ' 58' ' ' VAL . 8.7 tpt180 -59.37 -43.06 92.94 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 115.993 -0.549 . . . . 0.0 109.627 175.355 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 62' ' ' PHE . . . . . . . . . . . . . 77.0 m-85 -73.11 -27.8 61.9 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.043 -0.526 . . . . 0.0 111.467 177.102 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 30.7 mt-10 -70.89 -34.8 71.93 Favored 'General case' 0 C--N 1.327 -0.408 0 C-N-CA 121.088 -0.245 . . . . 0.0 110.712 175.698 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 13.6 t70 -62.33 -40.74 97.35 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 121.17 0.51 . . . . 0.0 109.705 173.213 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 30.2 ttm180 -65.1 -28.7 69.63 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 115.361 -0.836 . . . . 0.0 110.417 174.109 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 89.33 27.81 21.75 Favored Glycine 0 N--CA 1.447 -0.593 0 C-N-CA 120.999 -0.62 . . . . 0.0 112.198 178.114 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -111.42 94.35 4.93 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-O 120.745 0.307 . . . . 0.0 110.495 -179.127 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 68' ' ' MET . . . . . 0.532 ' HA ' ' CE ' ' A' ' 68' ' ' MET . 13.7 mmt -64.34 -51.28 64.16 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.11 -0.495 . . . . 0.0 111.413 -177.503 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 69' ' ' GLU . . . . . 0.456 ' O ' ' HG3' ' A' ' 73' ' ' LYS . 51.7 mt-10 -55.14 -48.28 73.91 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 115.675 -0.693 . . . . 0.0 110.68 179.796 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 25.5 ttm180 -73.57 -21.7 60.28 Favored 'General case' 0 C--N 1.322 -0.601 0 CA-C-N 115.546 -0.752 . . . . 0.0 111.359 -173.781 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -68.79 -45.77 70.43 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-O 120.929 0.395 . . . . 0.0 110.366 176.446 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 72' ' ' ASN . . . . . . . . . . . . . 86.2 m-20 -69.34 -31.58 70.12 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.74 178.006 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 73' ' ' LYS . . . . . 0.456 ' HG3' ' O ' ' A' ' 69' ' ' GLU . 99.3 mttt -68.29 -34.19 75.71 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.569 178.125 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -59.22 -52.65 64.75 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.871 0.367 . . . . 0.0 110.049 170.461 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 57.5 ttt180 -54.41 -50.69 67.0 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 115.235 -0.893 . . . . 0.0 111.713 -179.797 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 30.6 ttp180 -63.38 -36.11 82.62 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.359 -0.382 . . . . 0.0 111.118 -175.969 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 77' ' ' ARG . . . . . 0.509 ' O ' HG23 ' A' ' 81' ' ' VAL . 78.3 mtm180 -69.11 -51.11 41.84 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.45 -0.341 . . . . 0.0 110.576 178.527 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 78' ' ' CYS . . . . . . . . . . . . . 77.8 m -56.83 -45.19 82.51 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.827 0.346 . . . . 0.0 110.436 178.324 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . -60.46 -34.62 86.2 Favored Glycine 0 N--CA 1.45 -0.372 0 CA-C-N 115.997 -0.547 . . . . 0.0 112.63 178.304 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 30.0 tt0 -75.4 -32.87 60.9 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.747 0.274 . . . . 0.0 110.346 179.759 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 81' ' ' VAL . . . . . 0.509 HG23 ' O ' ' A' ' 77' ' ' ARG . 63.9 t -64.87 -41.88 93.35 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 N-CA-C 109.673 -0.492 . . . . 0.0 109.673 174.372 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 82' ' ' PHE . . . . . 0.581 ' HB3' ' HB3' ' A' ' 94' ' ' ASN . 43.9 m-85 -59.47 -45.43 91.65 Favored 'General case' 0 C--N 1.332 -0.162 0 CA-C-O 121.104 0.478 . . . . 0.0 110.261 173.177 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 83' ' ' ARG . . . . . 0.476 ' O ' HG23 ' A' ' 87' ' ' VAL . 79.6 ttt180 -59.14 -44.72 92.09 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 115.772 -0.649 . . . . 0.0 110.5 177.207 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 84' ' ' TYR . . . . . . . . . . . . . 48.7 t80 -58.41 -39.29 79.34 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 115.771 -0.649 . . . . 0.0 110.253 178.099 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 85' ' ' ALA . . . . . 0.523 ' HB2' HD13 ' A' ' 47' ' ' ILE . . . -68.19 -36.37 79.47 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 115.94 -0.573 . . . . 0.0 111.07 178.759 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 86' ' ' ILE . . . . . 0.432 HG13 ' O ' ' A' ' 82' ' ' PHE . 77.0 mt -62.72 -42.72 97.24 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 CA-C-O 120.944 0.402 . . . . 0.0 110.059 175.885 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 87' ' ' VAL . . . . . 0.476 HG23 ' O ' ' A' ' 83' ' ' ARG . 46.7 t -66.72 -37.35 79.32 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.392 0 CA-C-N 116.105 -0.498 . . . . 0.0 111.013 178.599 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 88' ' ' THR . . . . . 0.455 ' OG1' ' HA ' ' A' ' 85' ' ' ALA . 19.4 p -84.59 -0.22 52.48 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.538 -178.281 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . 72.53 17.72 78.05 Favored Glycine 0 C--N 1.331 0.297 0 C-N-CA 120.912 -0.661 . . . . 0.0 112.537 178.5 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 86.0 mtt180 -93.13 -9.87 37.94 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-O 120.877 0.37 . . . . 0.0 110.662 -179.343 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . -145.48 159.72 42.67 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.303 177.833 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 97.2 mttt -115.89 -40.03 3.39 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-O 121.004 0.43 . . . . 0.0 110.385 179.563 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 93' ' ' TYR . . . . . . . . . . . . . 77.0 t80 -133.79 139.49 46.34 Favored 'General case' 0 C--N 1.321 -0.648 0 CA-C-N 116.046 -0.525 . . . . 0.0 110.278 179.85 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 94' ' ' ASN . . . . . 0.581 ' HB3' ' HB3' ' A' ' 82' ' ' PHE . 20.2 p-10 -110.09 128.48 25.3 Favored Pre-proline 0 C--N 1.321 -0.661 0 CA-C-N 115.895 -0.593 . . . . 0.0 110.372 177.836 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 95' ' ' PRO . . . . . . . . . . . . . 60.3 Cg_endo -75.0 39.62 0.6 Allowed 'Trans proline' 0 CA--C 1.531 0.34 0 C-N-CA 122.993 2.462 . . . . 0.0 112.793 -179.767 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 96' ' ' ALA . . . . . 0.559 ' HB3' ' HD3' ' A' ' 97' ' ' PRO . . . -67.57 -47.03 47.18 Favored Pre-proline 0 C--N 1.326 -0.448 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.539 179.046 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 97' ' ' PRO . . . . . 0.559 ' HD3' ' HB3' ' A' ' 96' ' ' ALA . 25.0 Cg_exo -64.47 -34.71 52.5 Favored 'Trans proline' 0 C--N 1.358 1.029 0 C-N-CA 121.83 1.687 . . . . 0.0 111.479 173.471 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 98' ' ' ASP . . . . . 0.52 ' HB3' ' HB3' ' A' ' 52' ' ' PRO . 3.2 m-20 -60.93 -40.86 94.85 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 115.468 -0.787 . . . . 0.0 110.195 177.995 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 99' ' ' LEU . . . . . 0.662 ' HB2' HD23 ' A' ' 55' ' ' LEU . 3.2 tm? -57.54 -45.59 84.87 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 115.683 -0.689 . . . . 0.0 109.91 176.035 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 100' ' ' ALA . . . . . 0.581 ' O ' ' HG3' ' A' ' 104' ' ' LYS . . . -63.5 -47.46 81.64 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-N 115.832 -0.622 . . . . 0.0 110.73 -179.013 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 31.4 t70 -66.26 -38.49 87.96 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.359 -0.382 . . . . 0.0 111.152 -178.49 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -62.99 -42.53 99.87 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.443 -0.344 . . . . 0.0 110.628 177.719 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 103' ' ' MET . . . . . . . . . . . . . 45.9 ttm -56.72 -43.74 80.91 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 115.843 -0.617 . . . . 0.0 110.268 175.734 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 104' ' ' LYS . . . . . 0.581 ' HG3' ' O ' ' A' ' 100' ' ' ALA . 86.8 mttt . . . . . 0 C--N 1.329 -0.316 0 CA-C-N 115.767 -0.651 . . . . 0.0 110.625 178.643 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 5' ' ' ASN . . . . . 0.445 ' OD1' ' HD2' ' A' ' 90' ' ' ARG . 93.3 m-20 . . . . . 0 C--O 1.235 0.292 0 N-CA-C 111.834 0.309 . . . . 0.0 111.834 . . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 41.1 m -69.02 151.53 46.37 Favored 'General case' 0 C--O 1.237 0.416 0 N-CA-C 110.082 -0.34 . . . . 0.0 110.082 175.306 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 7' ' ' PHE . . . . . . . . . . . . . 64.1 t80 -56.31 -44.91 80.37 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 115.903 -0.589 . . . . 0.0 111.208 -177.085 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 25.2 p -60.49 -40.0 89.73 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 120.684 0.278 . . . . 0.0 111.737 -177.437 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -61.95 -49.48 75.96 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-O 121.221 0.534 . . . . 0.0 110.887 -179.188 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 10' ' ' ILE . . . . . 0.654 HG23 HH21 ' A' ' 90' ' ' ARG . 68.2 mt -69.77 -37.19 73.0 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 CA-C-N 115.665 -0.698 . . . . 0.0 110.248 179.428 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 1.0 OUTLIER -55.28 -44.99 76.17 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 115.655 -0.702 . . . . 0.0 111.069 176.13 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 60.6 tttm -66.77 -40.39 88.21 Favored 'General case' 0 C--N 1.33 -0.261 0 C-N-CA 120.593 -0.443 . . . . 0.0 111.177 179.803 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 40.5 tt0 -62.63 -48.26 80.13 Favored 'General case' 0 C--O 1.234 0.253 0 CA-C-O 121.113 0.482 . . . . 0.0 110.069 178.849 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 14' ' ' TRP . . . . . 0.457 ' CZ2' ' HG3' ' A' ' 77' ' ' ARG . 54.3 t90 -61.69 -49.0 78.27 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 115.602 -0.726 . . . . 0.0 110.452 176.934 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 15' ' ' TYR . . . . . 0.518 ' CE1' ' HB2' ' A' ' 31' ' ' ALA . 22.3 t80 -57.85 -52.81 63.94 Favored 'General case' 0 C--O 1.223 -0.291 0 CA-C-N 116.39 -0.368 . . . . 0.0 111.592 -178.801 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 41.1 tt0 -61.26 -32.52 72.34 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-O 120.917 0.389 . . . . 0.0 110.931 -175.541 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 17' ' ' HIS . . . . . . . . . . . . . 1.5 t-80 -77.74 -42.48 34.05 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.242 178.473 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 35.5 tptt -75.79 -19.34 59.06 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-O 121.219 0.533 . . . . 0.0 110.528 -177.022 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 41.4 tttm -63.41 -18.88 64.18 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 115.658 -0.701 . . . . 0.0 110.74 176.697 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 80.5 mt-30 -74.38 -16.13 60.9 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.064 -0.517 . . . . 0.0 110.319 176.978 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 40.6 t -95.99 -43.51 12.7 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.437 0 CA-C-N 116.045 -0.525 . . . . 0.0 111.076 -175.67 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 22' ' ' TRP . . . . . . . . . . . . . 12.3 m0 -89.23 170.33 10.69 Favored 'General case' 0 C--N 1.321 -0.634 0 CA-C-N 116.065 -0.516 . . . . 0.0 111.11 -176.889 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 6.4 m -73.24 142.18 47.27 Favored 'General case' 0 C--N 1.324 -0.541 0 N-CA-C 108.994 -0.743 . . . . 0.0 108.994 174.626 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 12.6 p -53.41 -38.08 31.47 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.368 0 N-CA-C 111.974 0.361 . . . . 0.0 111.974 -175.209 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -66.53 -48.95 59.42 Favored Glycine 0 N--CA 1.449 -0.482 0 C-N-CA 120.664 -0.779 . . . . 0.0 112.098 178.723 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 26' ' ' TYR . . . . . . . . . . . . . 66.7 t80 -63.93 -39.25 93.73 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.861 0.362 . . . . 0.0 110.155 179.658 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -62.74 -41.38 99.16 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 115.854 -0.612 . . . . 0.0 110.635 178.464 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 59.6 m -62.88 -47.0 85.23 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.42 -0.355 . . . . 0.0 110.606 178.028 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 27.9 mt-10 -65.81 -42.14 91.01 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.406 -0.361 . . . . 0.0 111.327 -178.947 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 10.3 tt -63.28 -41.52 99.01 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.455 -0.339 . . . . 0.0 110.359 179.667 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 31' ' ' ALA . . . . . 0.518 ' HB2' ' CE1' ' A' ' 15' ' ' TYR . . . -65.56 -48.67 71.6 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.447 -0.342 . . . . 0.0 110.546 177.985 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 86.3 tttt -56.36 -35.62 67.89 Favored 'General case' 0 C--N 1.332 -0.192 0 CA-C-N 116.319 -0.401 . . . . 0.0 110.511 178.681 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 33' ' ' MET . . . . . . . . . . . . . 54.9 ttp -63.34 -52.93 59.77 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 115.937 -0.574 . . . . 0.0 110.797 177.314 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 34' ' ' PHE . . . . . 0.619 ' CD2' HD12 ' A' ' 38' ' ' ILE . 8.3 m-85 -62.72 -38.07 89.01 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-O 121.041 0.448 . . . . 0.0 110.838 178.955 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 35' ' ' ASP . . . . . 0.681 ' HA ' ' HG ' ' A' ' 39' ' ' LEU . 10.8 t70 -62.93 -59.45 4.82 Favored 'General case' 0 C--N 1.32 -0.675 0 CA-C-N 115.828 -0.624 . . . . 0.0 111.075 178.474 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 38.4 t70 -66.93 -33.08 74.8 Favored 'General case' 0 C--N 1.327 -0.373 0 N-CA-C 112.81 0.67 . . . . 0.0 112.81 -168.832 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 7.2 m-20 -100.46 -51.15 3.7 Favored 'General case' 0 C--N 1.325 -0.491 0 N-CA-C 112.164 0.431 . . . . 0.0 112.164 -177.331 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 38' ' ' ILE . . . . . 0.619 HD12 ' CD2' ' A' ' 34' ' ' PHE . 11.5 mt -80.71 -34.5 14.2 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.581 0 N-CA-C 112.507 0.558 . . . . 0.0 112.507 -169.598 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 39' ' ' LEU . . . . . 0.681 ' HG ' ' HA ' ' A' ' 35' ' ' ASP . 21.5 mt -67.87 -41.58 29.2 Favored Pre-proline 0 CA--C 1.54 0.588 0 N-CA-C 112.837 0.68 . . . . 0.0 112.837 -176.367 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 40' ' ' PRO . . . . . 0.486 ' HD3' ' O ' ' A' ' 35' ' ' ASP . 31.3 Cg_exo -62.42 -13.95 36.07 Favored 'Trans proline' 0 C--N 1.354 0.831 0 C-N-CA 121.834 1.689 . . . . 0.0 112.716 174.217 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 41' ' ' ILE . . . . . 0.603 HG22 HG23 ' A' ' 42' ' ' ILE . 46.1 mm -96.85 -56.77 4.92 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.582 -0.281 . . . . 0.0 111.056 -179.606 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 42' ' ' ILE . . . . . 0.603 HG23 HG22 ' A' ' 41' ' ' ILE . 17.0 pt -131.88 12.99 1.75 Allowed 'Isoleucine or valine' 0 N--CA 1.467 0.402 0 N-CA-C 112.608 0.596 . . . . 0.0 112.608 -175.042 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -54.88 -49.96 60.21 Favored Glycine 0 CA--C 1.517 0.177 0 C-N-CA 120.922 -0.656 . . . . 0.0 113.51 -173.888 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -91.78 19.37 48.82 Favored Glycine 0 N--CA 1.447 -0.592 0 C-N-CA 120.702 -0.761 . . . . 0.0 113.024 -177.417 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 45' ' ' LEU . . . . . 0.495 HD12 ' HA ' ' A' ' 42' ' ' ILE . 96.9 mt -100.85 141.87 33.12 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 117.358 0.579 . . . . 0.0 110.625 179.151 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 46' ' ' GLU . . . . . 0.595 ' O ' HG13 ' A' ' 50' ' ' ILE . 45.9 mt-10 -57.05 129.03 39.96 Favored 'General case' 0 CA--C 1.514 -0.418 0 CA-C-N 116.182 -0.463 . . . . 0.0 109.784 174.259 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 47' ' ' ILE . . . . . 0.546 HD11 ' HA ' ' A' ' 82' ' ' PHE . 19.2 tt -55.35 -33.4 31.27 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.599 0 O-C-N 123.604 0.565 . . . . 0.0 112.338 -173.558 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 49.9 tt0 -89.12 -13.75 37.8 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 121.037 0.446 . . . . 0.0 110.916 -179.397 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 7.9 t70 -103.56 5.48 36.71 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-O 121.31 0.576 . . . . 0.0 110.63 -174.686 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 50' ' ' ILE . . . . . 0.595 HG13 ' O ' ' A' ' 46' ' ' GLU . 96.9 mt -73.41 135.3 27.91 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 CA-C-N 115.644 -0.707 . . . . 0.0 110.39 178.066 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 35.8 mt-10 -76.17 145.52 76.9 Favored Pre-proline 0 C--N 1.325 -0.469 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.89 -179.931 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 52' ' ' PRO . . . . . . . . . . . . . 38.9 Cg_exo -57.6 -35.27 98.87 Favored 'Trans proline' 0 N--CA 1.464 -0.236 0 C-N-CA 122.3 2.0 . . . . 0.0 110.908 172.392 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 53' ' ' MET . . . . . . . . . . . . . 50.7 ttm -67.39 -32.62 73.65 Favored 'General case' 0 C--N 1.331 -0.198 0 CA-C-N 115.618 -0.719 . . . . 0.0 110.702 177.606 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 94.0 mt-30 -74.27 -39.73 62.79 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.32 -0.4 . . . . 0.0 110.822 179.752 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 55' ' ' LEU . . . . . 0.423 ' O ' ' HB ' ' A' ' 58' ' ' VAL . 16.4 tp -68.67 -33.5 74.08 Favored 'General case' 0 C--N 1.322 -0.593 0 N-CA-C 109.516 -0.55 . . . . 0.0 109.516 177.615 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 2.3 tm? -68.84 -36.33 78.04 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 115.875 -0.602 . . . . 0.0 109.514 174.007 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 7.7 tp10 -60.9 -38.42 85.64 Favored 'General case' 0 C--N 1.329 -0.303 0 N-CA-C 109.738 -0.467 . . . . 0.0 109.738 175.1 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 58' ' ' VAL . . . . . 0.55 HG13 HG12 ' A' ' 38' ' ' ILE . 54.0 t -60.56 -54.4 35.7 Favored 'Isoleucine or valine' 0 C--O 1.239 0.5 0 CA-C-O 121.464 0.649 . . . . 0.0 110.607 174.313 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 59' ' ' ILE . . . . . . . . . . . . . 1.6 mp -57.58 -39.88 71.98 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.41 0 CA-C-N 115.572 -0.74 . . . . 0.0 110.614 178.894 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 60' ' ' ARG . . . . . 0.602 ' HA ' ' HB3' ' A' ' 63' ' ' GLU . 18.9 mtp85 -76.57 -21.06 56.15 Favored 'General case' 0 C--N 1.328 -0.342 0 N-CA-C 111.89 0.33 . . . . 0.0 111.89 -179.508 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 6.8 tpt85 -61.25 -35.88 78.47 Favored 'General case' 0 C--N 1.327 -0.387 0 N-CA-C 108.914 -0.773 . . . . 0.0 108.914 172.93 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 62' ' ' PHE . . . . . . . . . . . . . 96.3 m-85 -82.04 -39.0 24.15 Favored 'General case' 0 C--O 1.236 0.351 0 CA-C-N 115.518 -0.764 . . . . 0.0 111.407 173.09 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 63' ' ' GLU . . . . . 0.602 ' HB3' ' HA ' ' A' ' 60' ' ' ARG . 29.6 tt0 -56.03 -43.97 78.29 Favored 'General case' 0 N--CA 1.467 0.399 0 CA-C-N 116.111 -0.495 . . . . 0.0 111.98 -177.366 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 20.3 t70 -59.3 -29.11 67.38 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.001 -0.545 . . . . 0.0 111.635 -174.213 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 75.3 mtm-85 -91.52 1.82 56.87 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.751 0.31 . . . . 0.0 111.334 -179.607 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 81.97 9.75 84.9 Favored Glycine 0 N--CA 1.452 -0.289 0 C-N-CA 120.767 -0.73 . . . . 0.0 112.413 179.008 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -82.4 71.63 9.47 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-O 120.951 0.405 . . . . 0.0 110.49 -179.383 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 68' ' ' MET . . . . . 0.548 ' HA ' ' CE ' ' A' ' 68' ' ' MET . 8.8 mmt -60.33 -41.32 93.29 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 115.804 -0.634 . . . . 0.0 111.005 -178.93 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 10.2 tt0 -57.87 -49.97 74.91 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.065 -0.516 . . . . 0.0 110.503 -179.826 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 70' ' ' ARG . . . . . 0.505 ' HD2' ' N ' ' A' ' 70' ' ' ARG . 1.5 mpt_? -72.83 -26.53 61.52 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-N 115.865 -0.607 . . . . 0.0 111.095 -175.117 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -67.46 -41.55 84.48 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-O 121.097 0.475 . . . . 0.0 110.24 175.132 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 72' ' ' ASN . . . . . . . . . . . . . 44.1 m-80 -75.03 -37.57 61.69 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.048 -0.524 . . . . 0.0 110.696 178.193 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 87.3 mttt -61.05 -44.57 97.2 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.506 -0.316 . . . . 0.0 110.519 175.463 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -59.8 -45.07 93.47 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.305 -0.407 . . . . 0.0 110.175 176.34 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 76.4 ttt180 -56.81 -50.46 72.3 Favored 'General case' 0 CA--C 1.533 0.297 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.253 177.584 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 76' ' ' ARG . . . . . 0.424 HH11 ' HD3' ' A' ' 76' ' ' ARG . 50.1 mtt180 -61.63 -47.17 86.63 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 121.053 0.454 . . . . 0.0 111.317 179.311 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 77' ' ' ARG . . . . . 0.457 ' HG3' ' CZ2' ' A' ' 14' ' ' TRP . 0.0 OUTLIER -74.77 -37.31 62.47 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-N 115.788 -0.642 . . . . 0.0 112.144 -172.171 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 78' ' ' CYS . . . . . . . . . . . . . 28.2 p -65.02 -46.27 82.03 Favored 'General case' 0 C--N 1.33 -0.26 0 C-N-CA 120.279 -0.568 . . . . 0.0 109.839 179.677 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . -56.65 -35.64 68.07 Favored Glycine 0 C--N 1.334 0.453 0 C-N-CA 120.769 -0.729 . . . . 0.0 111.741 175.622 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 35.6 tt0 -66.55 -45.46 79.3 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 115.734 -0.233 . . . . 0.0 110.649 177.285 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 81' ' ' VAL . . . . . 0.444 HG23 ' O ' ' A' ' 77' ' ' ARG . 87.2 t -63.14 -44.04 99.2 Favored 'Isoleucine or valine' 0 C--O 1.235 0.302 0 CA-C-O 120.844 0.354 . . . . 0.0 110.522 177.811 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 82' ' ' PHE . . . . . 0.546 ' HA ' HD11 ' A' ' 47' ' ' ILE . 5.7 m-85 -57.79 -48.03 80.86 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.495 176.621 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 83' ' ' ARG . . . . . 0.485 ' O ' HG23 ' A' ' 87' ' ' VAL . 42.2 ttm180 -65.83 -35.77 81.61 Favored 'General case' 0 C--N 1.323 -0.554 0 CA-C-N 115.891 -0.595 . . . . 0.0 110.757 179.17 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 84' ' ' TYR . . . . . . . . . . . . . 36.7 t80 -59.08 -40.7 86.08 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 115.923 -0.58 . . . . 0.0 110.069 178.151 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 85' ' ' ALA . . . . . 0.426 ' HA ' HG22 ' A' ' 88' ' ' THR . . . -71.01 -26.68 63.22 Favored 'General case' 0 N--CA 1.453 -0.31 0 CA-C-N 115.575 -0.739 . . . . 0.0 110.864 178.259 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 86' ' ' ILE . . . . . 0.654 ' HA ' ' O ' ' A' ' 91' ' ' ALA . 73.4 mt -71.55 -41.65 72.23 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.38 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.365 176.243 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 87' ' ' VAL . . . . . 0.485 HG23 ' O ' ' A' ' 83' ' ' ARG . 66.1 t -61.51 -39.92 84.66 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 115.921 -0.581 . . . . 0.0 110.973 179.24 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 88' ' ' THR . . . . . 0.513 HG23 ' HG2' ' A' ' 90' ' ' ARG . 10.1 t -84.08 -5.94 59.32 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-O 120.88 0.371 . . . . 0.0 111.101 179.391 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . 86.08 14.83 66.06 Favored Glycine 0 CA--C 1.521 0.445 0 N-CA-C 114.955 0.742 . . . . 0.0 114.955 170.344 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 90' ' ' ARG . . . . . 0.654 HH21 HG23 ' A' ' 10' ' ' ILE . 16.2 ptt-85 -105.24 7.3 33.5 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 118.165 0.983 . . . . 0.0 110.741 178.177 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 91' ' ' ALA . . . . . 0.654 ' O ' ' HA ' ' A' ' 86' ' ' ILE . . . -146.06 146.8 31.07 Favored 'General case' 0 C--N 1.322 -0.627 0 N-CA-C 108.255 -1.017 . . . . 0.0 108.255 170.319 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 81.9 tttt -127.66 -6.84 5.69 Favored 'General case' 0 C--N 1.321 -0.639 0 C-N-CA 120.39 -0.524 . . . . 0.0 111.527 -179.288 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 93' ' ' TYR . . . . . . . . . . . . . 78.0 t80 -144.1 127.22 16.56 Favored 'General case' 0 C--N 1.322 -0.595 0 CA-C-O 120.857 0.36 . . . . 0.0 110.755 -179.62 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 94' ' ' ASN . . . . . 0.452 ' HB3' ' HB3' ' A' ' 82' ' ' PHE . 14.6 p-10 -114.12 117.96 42.87 Favored Pre-proline 0 C--N 1.32 -0.716 0 CA-C-N 115.745 -0.661 . . . . 0.0 109.504 174.23 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 95' ' ' PRO . . . . . 0.468 ' HD2' ' CD2' ' A' ' 82' ' ' PHE . 56.5 Cg_endo -70.8 43.8 0.47 Allowed 'Trans proline' 0 CA--C 1.529 0.253 0 C-N-CA 123.133 2.556 . . . . 0.0 112.404 179.717 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 96' ' ' ALA . . . . . 0.499 ' N ' ' HD2' ' A' ' 97' ' ' PRO . . . -67.64 -48.97 41.91 Favored Pre-proline 0 C--N 1.324 -0.514 0 CA-C-N 116.091 -0.504 . . . . 0.0 111.46 -179.653 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 97' ' ' PRO . . . . . 0.499 ' HD2' ' N ' ' A' ' 96' ' ' ALA . 25.8 Cg_endo -63.65 -33.77 65.59 Favored 'Trans proline' 0 C--N 1.358 1.029 0 C-N-CA 121.584 1.523 . . . . 0.0 111.283 174.115 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 5.1 m-20 -62.88 -45.14 93.96 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 115.652 -0.704 . . . . 0.0 110.294 177.767 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 99' ' ' LEU . . . . . . . . . . . . . 3.3 tm? -56.86 -39.8 74.98 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 115.666 -0.697 . . . . 0.0 110.228 177.649 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 100' ' ' ALA . . . . . . . . . . . . . . . -64.29 -44.76 90.66 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 115.869 -0.605 . . . . 0.0 111.144 -179.645 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 32.4 m-20 -73.19 -31.85 64.45 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.306 -0.406 . . . . 0.0 110.835 179.674 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -65.01 -50.34 66.65 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 116.387 -0.37 . . . . 0.0 110.683 177.13 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 103' ' ' MET . . . . . . . . . . . . . 45.6 ttm -57.94 -35.18 70.75 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-O 121.287 0.565 . . . . 0.0 110.709 177.807 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 104' ' ' LYS . . . . . . . . . . . . . 86.8 tttt . . . . . 0 C--N 1.324 -0.537 0 CA-C-N 115.717 -0.674 . . . . 0.0 111.2 179.838 . . . . . . . . 0 0 . 1 . 017 nuclear build core ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 93.4 m-20 . . . . . 0 C--O 1.232 0.135 0 N-CA-C 111.8 0.296 . . . . 0.0 111.8 . . . . . . . . . 0 0 . 1 . 017 nuclear build core ' A' A ' 6' ' ' SER . . . . . 0.438 ' HA ' ' HA ' ' A' ' 46' ' ' GLU . 67.2 p -64.84 141.34 58.81 Favored 'General case' 0 C--N 1.327 -0.406 0 N-CA-C 109.794 -0.447 . . . . 0.0 109.794 176.413 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 7' ' ' PHE . . . . . 0.493 ' O ' ' HB3' ' A' ' 11' ' ' TYR . 35.0 t80 -60.13 -32.99 71.53 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.424 -177.946 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 8' ' ' SER . . . . . 0.512 ' O ' ' HD1' ' A' ' 11' ' ' TYR . 13.4 p -56.02 -46.74 78.69 Favored 'General case' 0 C--O 1.237 0.435 0 CA-C-O 121.493 0.663 . . . . 0.0 110.963 176.359 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -60.36 -53.05 62.19 Favored 'General case' 0 C--N 1.323 -0.548 0 CA-C-N 115.529 -0.76 . . . . 0.0 110.463 -179.564 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 10' ' ' ILE . . . . . 0.76 HG12 HH11 ' A' ' 90' ' ' ARG . 25.2 mt -70.61 -33.03 51.52 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.581 0 CA-C-N 115.544 -0.753 . . . . 0.0 111.605 -174.512 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 11' ' ' TYR . . . . . 0.512 ' HD1' ' O ' ' A' ' 8' ' ' SER . 0.0 OUTLIER -62.59 -38.58 90.71 Favored 'General case' 0 C--N 1.332 -0.179 0 C-N-CA 121.219 -0.193 . . . . 0.0 110.652 -179.369 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 47.5 tttm -77.48 -39.93 44.73 Favored 'General case' 0 C--N 1.33 -0.241 0 C-N-CA 120.246 -0.582 . . . . 0.0 110.907 179.484 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 44.6 mt-10 -61.96 -42.8 99.53 Favored 'General case' 0 C--O 1.234 0.284 0 CA-C-O 120.807 0.337 . . . . 0.0 110.375 177.539 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 14' ' ' TRP . . . . . . . . . . . . . 52.1 t90 -61.81 -50.69 71.31 Favored 'General case' 0 C--O 1.236 0.365 0 CA-C-N 115.92 -0.582 . . . . 0.0 110.657 176.163 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 15' ' ' TYR . . . . . 0.497 ' O ' ' HB2' ' A' ' 19' ' ' LYS . 26.4 t80 -56.25 -56.79 16.72 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.062 -0.517 . . . . 0.0 111.299 -179.593 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 41.8 mt-10 -68.1 -15.81 63.75 Favored 'General case' 0 C--N 1.328 -0.346 0 N-CA-C 111.782 0.29 . . . . 0.0 111.782 -174.959 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 17' ' ' HIS . . . . . . . . . . . . . 35.3 t60 -77.85 -60.29 2.43 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-O 120.927 0.394 . . . . 0.0 110.183 174.133 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 70.7 tttt -78.27 -0.33 28.3 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 121.498 0.666 . . . . 0.0 110.31 -175.374 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 19' ' ' LYS . . . . . 0.497 ' HB2' ' O ' ' A' ' 15' ' ' TYR . 81.3 tttt -61.03 -24.87 66.51 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 115.044 -0.98 . . . . 0.0 110.226 174.302 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 85.0 mm-40 -75.57 -10.47 59.47 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 115.675 -0.693 . . . . 0.0 111.09 179.503 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 61.5 t -97.9 -50.23 11.32 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.397 0 CA-C-N 116.372 -0.376 . . . . 0.0 111.174 -176.737 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 22' ' ' TRP . . . . . . . . . . . . . 11.1 m0 -84.33 155.32 22.42 Favored 'General case' 0 C--N 1.323 -0.558 0 CA-C-N 116.398 -0.365 . . . . 0.0 110.908 -177.377 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 26.3 m -63.31 139.38 58.76 Favored 'General case' 0 C--N 1.327 -0.391 0 N-CA-C 109.507 -0.553 . . . . 0.0 109.507 173.736 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 13.4 p -49.85 -37.99 13.34 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.398 0 N-CA-C 112.204 0.446 . . . . 0.0 112.204 -175.468 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -62.45 -56.74 19.93 Favored Glycine 0 N--CA 1.45 -0.412 0 C-N-CA 120.777 -0.725 . . . . 0.0 112.193 179.153 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 26' ' ' TYR . . . . . . . . . . . . . 77.6 t80 -65.23 -37.67 87.99 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.487 0.184 . . . . 0.0 110.724 -179.309 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -59.92 -47.42 85.83 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.344 -0.389 . . . . 0.0 110.841 179.801 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 23.6 m -67.96 -41.64 82.14 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.328 -0.397 . . . . 0.0 111.182 -178.952 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 44.7 mt-10 -67.73 -36.35 80.42 Favored 'General case' 0 C--O 1.235 0.291 0 CA-C-O 120.727 0.299 . . . . 0.0 110.907 178.764 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 9.3 tt -62.48 -44.08 97.26 Favored 'General case' 0 C--O 1.234 0.279 0 N-CA-C 109.648 -0.501 . . . . 0.0 109.648 174.949 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -64.88 -39.36 93.41 Favored 'General case' 0 N--CA 1.453 -0.324 0 CA-C-N 115.654 -0.703 . . . . 0.0 110.604 177.926 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 65.3 tttm -60.02 -50.07 75.17 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.505 -0.316 . . . . 0.0 110.937 179.367 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 33' ' ' MET . . . . . . . . . . . . . 59.3 ttp -61.58 -41.01 96.8 Favored 'General case' 0 C--O 1.234 0.276 0 CA-C-O 121.346 0.593 . . . . 0.0 110.257 178.475 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 34' ' ' PHE . . . . . 0.531 ' O ' ' HB ' ' A' ' 38' ' ' ILE . 35.3 t80 -64.4 -49.27 72.23 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 115.459 -0.791 . . . . 0.0 110.38 -179.799 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 35' ' ' ASP . . . . . 0.54 ' HA ' ' HB2' ' A' ' 39' ' ' LEU . 10.9 t70 -71.64 -49.34 40.97 Favored 'General case' 0 C--N 1.32 -0.683 0 CA-C-N 116.426 -0.352 . . . . 0.0 111.595 -177.002 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 32.6 t70 -61.82 -36.7 81.93 Favored 'General case' 0 C--N 1.32 -0.688 0 N-CA-C 111.949 0.351 . . . . 0.0 111.949 -172.602 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 4.3 m-20 -100.8 -48.04 4.61 Favored 'General case' 0 C--N 1.329 -0.297 0 N-CA-C 112.576 0.584 . . . . 0.0 112.576 -178.684 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 38' ' ' ILE . . . . . 0.576 HG12 HG13 ' A' ' 58' ' ' VAL . 19.5 mt -80.21 -34.56 15.0 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.401 0 N-CA-C 112.085 0.402 . . . . 0.0 112.085 -170.609 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 39' ' ' LEU . . . . . 0.54 ' HB2' ' HA ' ' A' ' 35' ' ' ASP . 0.4 OUTLIER -63.06 -47.9 85.21 Favored Pre-proline 0 CA--C 1.544 0.712 0 CA-C-O 119.598 -0.239 . . . . 0.0 111.62 -175.56 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 40' ' ' PRO . . . . . 0.528 ' HD3' ' O ' ' A' ' 35' ' ' ASP . 27.7 Cg_exo -64.46 -11.41 28.3 Favored 'Trans proline' 0 C--N 1.355 0.879 0 C-N-CA 121.802 1.668 . . . . 0.0 113.032 177.768 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 41' ' ' ILE . . . . . 0.667 HG22 HG23 ' A' ' 42' ' ' ILE . 48.2 mm -91.78 -57.32 4.38 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.245 0 CA-C-O 120.532 0.206 . . . . 0.0 111.002 -179.254 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 42' ' ' ILE . . . . . 0.667 HG23 HG22 ' A' ' 41' ' ' ILE . 13.5 pt -129.3 5.24 2.6 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.199 0 N-CA-C 112.38 0.511 . . . . 0.0 112.38 -175.419 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 43' ' ' GLY . . . . . 0.496 ' HA3' HD22 ' A' ' 39' ' ' LEU . . . -60.46 -37.73 93.71 Favored Glycine 0 N--CA 1.451 -0.349 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.802 -174.993 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -86.3 5.07 85.32 Favored Glycine 0 N--CA 1.444 -0.787 0 C-N-CA 120.538 -0.839 . . . . 0.0 112.832 -179.746 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 91.0 mt -96.26 146.56 24.61 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 117.142 0.471 . . . . 0.0 110.621 -177.917 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 46' ' ' GLU . . . . . 0.631 ' O ' HG13 ' A' ' 50' ' ' ILE . 41.7 mt-10 -67.5 138.69 56.76 Favored 'General case' 0 C--N 1.327 -0.409 0 N-CA-C 109.228 -0.656 . . . . 0.0 109.228 175.512 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 47' ' ' ILE . . . . . 0.426 HD13 ' HB2' ' A' ' 85' ' ' ALA . 15.5 tt -64.39 -19.15 24.44 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.63 0 CA-C-O 120.98 0.419 . . . . 0.0 111.356 -176.366 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 61.5 mt-30 -89.42 -10.98 44.46 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-O 120.998 0.428 . . . . 0.0 110.353 176.905 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 3.6 t70 -122.38 14.84 10.43 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 116.047 -0.524 . . . . 0.0 110.93 -168.177 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 50' ' ' ILE . . . . . 0.631 HG13 ' O ' ' A' ' 46' ' ' GLU . 85.0 mt -82.79 125.44 39.98 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.417 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.925 -179.139 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 51' ' ' GLU . . . . . 1.002 ' HB2' ' HB2' ' A' ' 54' ' ' GLN . 12.6 mm-40 -66.28 132.69 94.43 Favored Pre-proline 0 C--N 1.323 -0.582 0 CA-C-N 115.362 -0.835 . . . . 0.0 109.969 177.491 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 52' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_exo -54.84 -39.4 90.23 Favored 'Trans proline' 0 N--CA 1.464 -0.252 0 C-N-CA 122.323 2.015 . . . . 0.0 111.649 171.683 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 53' ' ' MET . . . . . . . . . . . . . 68.3 mtm -73.53 -22.34 60.13 Favored 'General case' 0 C--O 1.226 -0.15 0 CA-C-O 120.681 0.277 . . . . 0.0 110.979 176.288 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 54' ' ' GLN . . . . . 1.002 ' HB2' ' HB2' ' A' ' 51' ' ' GLU . 32.7 tp60 -76.19 -40.98 51.01 Favored 'General case' 0 C--N 1.326 -0.449 0 N-CA-C 108.844 -0.799 . . . . 0.0 108.844 176.699 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 55' ' ' LEU . . . . . 0.436 ' O ' ' HB ' ' A' ' 58' ' ' VAL . 34.4 tp -65.78 -33.49 75.98 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-N 115.301 -0.863 . . . . 0.0 108.977 172.733 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 56' ' ' LEU . . . . . 0.472 HD13 ' O ' ' A' ' 56' ' ' LEU . 3.1 tm? -64.82 -34.73 79.06 Favored 'General case' 0 C--O 1.215 -0.735 0 CA-C-N 115.7 -0.682 . . . . 0.0 109.441 173.821 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 28.6 tt0 -62.23 -31.9 72.51 Favored 'General case' 0 C--N 1.33 -0.274 0 N-CA-C 110.277 -0.268 . . . . 0.0 110.277 177.996 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 58' ' ' VAL . . . . . 0.588 ' O ' ' HB3' ' A' ' 61' ' ' ARG . 71.4 t -60.47 -55.34 25.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-O 121.336 0.589 . . . . 0.0 110.49 171.008 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 59' ' ' ILE . . . . . 0.548 HG23 ' HB1' ' A' ' 71' ' ' ALA . 1.8 mp -59.24 -42.31 86.62 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.441 0 CA-C-N 115.684 -0.689 . . . . 0.0 110.407 178.373 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 60' ' ' ARG . . . . . 0.407 ' HB2' HD13 ' A' ' 56' ' ' LEU . 48.2 ttp85 -68.26 -29.46 68.26 Favored 'General case' 0 C--N 1.323 -0.569 0 CA-C-N 115.211 -0.904 . . . . 0.0 110.578 -179.073 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 61' ' ' ARG . . . . . 0.588 ' HB3' ' O ' ' A' ' 58' ' ' VAL . 25.0 tpt180 -58.21 -40.18 80.91 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 115.999 -0.546 . . . . 0.0 109.846 171.583 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 62' ' ' PHE . . . . . 0.505 ' HA ' ' HD3' ' A' ' 65' ' ' ARG . 92.2 m-85 -77.81 -24.33 48.8 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-N 115.977 -0.556 . . . . 0.0 111.205 176.82 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 39.9 mt-10 -65.1 -41.51 94.88 Favored 'General case' 0 N--CA 1.464 0.24 0 CA-C-O 120.615 0.245 . . . . 0.0 110.685 175.321 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 28.6 m-20 -58.05 -28.53 64.6 Favored 'General case' 0 N--CA 1.466 0.334 0 CA-C-O 121.102 0.477 . . . . 0.0 110.449 176.433 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 65' ' ' ARG . . . . . 0.505 ' HD3' ' HA ' ' A' ' 62' ' ' PHE . 24.8 mtp180 -83.85 -35.18 24.38 Favored 'General case' 0 C--N 1.323 -0.551 0 CA-C-N 115.348 -0.842 . . . . 0.0 110.92 179.689 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 99.79 3.76 55.94 Favored Glycine 0 N--CA 1.448 -0.527 0 N-CA-C 111.234 -0.746 . . . . 0.0 111.234 -176.491 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -83.25 87.91 6.94 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-N 115.437 -0.382 . . . . 0.0 110.464 -179.717 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 68' ' ' MET . . . . . 0.505 ' HA ' ' CE ' ' A' ' 68' ' ' MET . 0.0 OUTLIER -69.78 -42.81 73.29 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-N 116.3 -0.409 . . . . 0.0 110.393 -177.121 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 30.3 mt-10 -54.3 -55.3 29.69 Favored 'General case' 0 CA--C 1.516 -0.331 0 CA-C-N 115.941 -0.572 . . . . 0.0 111.093 175.823 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 70' ' ' ARG . . . . . 0.548 ' HA ' ' HB2' ' A' ' 73' ' ' LYS . 82.3 mtt180 -74.55 -12.47 60.48 Favored 'General case' 0 C--N 1.321 -0.641 0 CA-C-N 115.487 -0.778 . . . . 0.0 111.339 -170.963 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 71' ' ' ALA . . . . . 0.548 ' HB1' HG23 ' A' ' 59' ' ' ILE . . . -74.89 -48.4 25.0 Favored 'General case' 0 C--N 1.327 -0.404 0 N-CA-C 109.501 -0.555 . . . . 0.0 109.501 171.281 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 72' ' ' ASN . . . . . . . . . . . . . 94.0 m-20 -69.64 -35.47 75.25 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 115.98 -0.555 . . . . 0.0 110.483 177.077 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 73' ' ' LYS . . . . . 0.548 ' HB2' ' HA ' ' A' ' 70' ' ' ARG . 97.6 mttt -68.26 -25.38 65.15 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.656 176.569 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 74' ' ' ALA . . . . . 0.403 ' HA ' HH21 ' A' ' 77' ' ' ARG . . . -67.37 -54.86 16.83 Favored 'General case' 0 C--N 1.329 -0.32 0 N-CA-C 109.436 -0.579 . . . . 0.0 109.436 172.577 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 75' ' ' ARG . . . . . 0.428 HH11 ' HD3' ' A' ' 75' ' ' ARG . 30.1 ttt180 -53.76 -43.58 69.3 Favored 'General case' 0 C--N 1.332 -0.175 0 CA-C-N 115.596 -0.729 . . . . 0.0 111.083 177.079 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 28.7 ttm180 -60.46 -48.71 80.59 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.137 -178.486 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 77' ' ' ARG . . . . . 0.5 ' O ' HG23 ' A' ' 81' ' ' VAL . 87.9 mtm180 -64.14 -46.4 84.28 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.766 -179.263 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 78' ' ' CYS . . . . . . . . . . . . . 77.4 m -62.24 -35.44 78.94 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.379 -0.373 . . . . 0.0 110.569 178.219 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . -61.59 -39.46 97.39 Favored Glycine 0 N--CA 1.452 -0.254 0 C-N-CA 121.3 -0.476 . . . . 0.0 112.244 177.432 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 42.8 tt0 -70.53 -36.08 73.52 Favored 'General case' 0 C--N 1.328 -0.363 0 N-CA-C 109.889 -0.412 . . . . 0.0 109.889 176.898 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 81' ' ' VAL . . . . . 0.5 HG23 ' O ' ' A' ' 77' ' ' ARG . 97.1 t -60.56 -43.37 94.4 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.201 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.218 174.223 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 82' ' ' PHE . . . . . 0.451 ' O ' HG13 ' A' ' 86' ' ' ILE . 22.4 m-85 -60.51 -45.67 92.96 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 115.971 -0.558 . . . . 0.0 110.36 175.814 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 83' ' ' ARG . . . . . 0.484 ' O ' HG23 ' A' ' 87' ' ' VAL . 34.5 ttm180 -61.6 -41.25 97.17 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.465 178.543 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 84' ' ' TYR . . . . . . . . . . . . . 10.5 t80 -55.27 -40.54 71.13 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 115.796 -0.638 . . . . 0.0 109.707 177.218 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 85' ' ' ALA . . . . . 0.426 ' HB2' HD13 ' A' ' 47' ' ' ILE . . . -71.07 -37.75 72.46 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 115.476 -0.784 . . . . 0.0 111.221 177.899 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 86' ' ' ILE . . . . . 0.451 HG13 ' O ' ' A' ' 82' ' ' PHE . 85.9 mt -61.84 -43.77 97.85 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 CA-C-O 121.036 0.446 . . . . 0.0 110.611 177.745 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 87' ' ' VAL . . . . . 0.484 HG23 ' O ' ' A' ' 83' ' ' ARG . 55.7 t -66.37 -38.65 82.26 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.046 -0.525 . . . . 0.0 111.075 179.348 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 88' ' ' THR . . . . . . . . . . . . . 19.8 p -79.94 -11.4 59.8 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 116.275 -0.421 . . . . 0.0 111.392 -178.802 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . 87.88 13.51 64.46 Favored Glycine 0 N--CA 1.453 -0.204 0 C-N-CA 120.898 -0.667 . . . . 0.0 112.499 179.243 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 90' ' ' ARG . . . . . 0.76 HH11 HG12 ' A' ' 10' ' ' ILE . 99.3 mtt180 -86.91 -16.09 37.01 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-O 120.694 0.283 . . . . 0.0 110.968 -179.487 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . -143.0 159.61 41.91 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-O 120.769 0.319 . . . . 0.0 110.962 -179.61 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 67.1 mttm -119.05 -38.9 2.99 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 116.071 -0.513 . . . . 0.0 110.45 179.261 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 93' ' ' TYR . . . . . . . . . . . . . 85.7 t80 -128.01 137.77 52.34 Favored 'General case' 0 C--N 1.323 -0.579 0 CA-C-N 115.955 -0.566 . . . . 0.0 109.729 178.861 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 94' ' ' ASN . . . . . 0.439 ' C ' ' H ' ' A' ' 96' ' ' ALA . 19.6 p-10 -100.41 125.26 39.92 Favored Pre-proline 0 C--N 1.319 -0.75 0 N-CA-C 109.462 -0.57 . . . . 0.0 109.462 175.449 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 95' ' ' PRO . . . . . 0.42 ' HD3' ' HA ' ' A' ' 94' ' ' ASN . 16.8 Cg_exo -69.11 26.59 0.16 Allowed 'Trans proline' 0 CA--C 1.531 0.372 0 C-N-CA 123.245 2.63 . . . . 0.0 113.19 -177.621 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 96' ' ' ALA . . . . . 0.577 ' HB3' ' HD3' ' A' ' 97' ' ' PRO . . . -70.53 -49.26 16.21 Favored Pre-proline 0 C--N 1.326 -0.44 0 N-CA-C 112.043 0.386 . . . . 0.0 112.043 -178.617 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 97' ' ' PRO . . . . . 0.577 ' HD3' ' HB3' ' A' ' 96' ' ' ALA . 34.0 Cg_exo -60.26 -44.89 25.64 Favored 'Trans proline' 0 C--N 1.355 0.897 0 C-N-CA 121.937 1.758 . . . . 0.0 112.359 176.857 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 26.7 t70 -71.71 -21.54 61.76 Favored 'General case' 0 C--N 1.332 -0.193 0 CA-C-O 120.944 0.402 . . . . 0.0 110.617 -179.498 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 99' ' ' LEU . . . . . . . . . . . . . 3.3 tm? -62.77 -38.2 89.66 Favored 'General case' 0 C--N 1.33 -0.278 0 N-CA-C 109.175 -0.676 . . . . 0.0 109.175 172.963 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 100' ' ' ALA . . . . . . . . . . . . . . . -68.12 -38.19 81.96 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 115.885 -0.598 . . . . 0.0 110.157 177.644 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 4.7 m-20 -65.76 -37.5 86.51 Favored 'General case' 0 CA--C 1.519 -0.244 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.597 175.574 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -66.24 -45.87 79.14 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 116.291 -0.413 . . . . 0.0 110.344 176.2 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 103' ' ' MET . . . . . . . . . . . . . 53.9 ttm -60.11 -23.94 64.25 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-O 121.213 0.53 . . . . 0.0 110.985 177.936 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 104' ' ' LYS . . . . . . . . . . . . . 63.5 tttp . . . . . 0 C--N 1.323 -0.583 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.981 179.501 . . . . . . . . 0 0 . 1 . 018 nuclear build core ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 92.9 m-20 . . . . . 0 C--O 1.234 0.284 0 N-CA-C 111.68 0.252 . . . . 0.0 111.68 . . . . . . . . . 0 0 . 1 . 018 nuclear build core ' A' A ' 6' ' ' SER . . . . . 0.588 ' HA ' ' HA ' ' A' ' 46' ' ' GLU . 74.3 m -64.65 149.83 48.24 Favored 'General case' 0 C--O 1.236 0.377 0 CA-C-O 120.849 0.357 . . . . 0.0 110.594 176.454 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 7' ' ' PHE . . . . . . . . . . . . . 31.9 t80 -58.32 -39.77 80.28 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 115.684 -0.689 . . . . 0.0 110.656 -177.702 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 16.9 p -59.85 -41.75 92.12 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.351 -0.386 . . . . 0.0 111.632 179.796 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -61.96 -48.81 78.73 Favored 'General case' 0 C--O 1.236 0.392 0 CA-C-O 120.986 0.422 . . . . 0.0 110.795 -178.854 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 64.8 mt -68.41 -39.23 80.5 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 115.942 -0.572 . . . . 0.0 110.187 178.468 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 7.0 t80 -56.83 -46.57 81.61 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 115.842 -0.617 . . . . 0.0 111.416 177.032 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 81.2 tttt -63.4 -41.8 98.77 Favored 'General case' 0 C--N 1.329 -0.325 0 C-N-CA 120.659 -0.416 . . . . 0.0 110.673 -178.14 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 37.1 tt0 -65.63 -45.17 84.05 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 121.154 0.502 . . . . 0.0 110.147 178.181 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 14' ' ' TRP . . . . . . . . . . . . . 68.8 t90 -58.96 -46.93 86.84 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 115.491 -0.777 . . . . 0.0 110.417 177.092 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 15' ' ' TYR . . . . . 0.448 ' CE1' ' HB2' ' A' ' 31' ' ' ALA . 24.7 t80 -61.13 -49.11 78.58 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.038 -0.528 . . . . 0.0 111.222 177.727 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 38.6 tt0 -61.4 -30.5 70.59 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-O 121.283 0.563 . . . . 0.0 110.484 -178.77 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 17' ' ' HIS . . . . . 0.647 ' O ' ' HG2' ' A' ' 20' ' ' GLN . 72.9 t60 -78.37 -50.97 10.79 Favored 'General case' 0 C--N 1.323 -0.562 0 CA-C-N 115.778 -0.646 . . . . 0.0 110.296 178.312 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 32.6 mmtm -67.67 -14.39 62.91 Favored 'General case' 0 N--CA 1.467 0.376 0 CA-C-N 116.335 -0.393 . . . . 0.0 111.54 179.684 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 80.4 tttt -57.23 -29.06 63.46 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 115.82 -0.627 . . . . 0.0 111.24 179.287 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 20' ' ' GLN . . . . . 0.647 ' HG2' ' O ' ' A' ' 17' ' ' HIS . 13.4 pt20 -87.29 -5.35 58.95 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.381 -0.372 . . . . 0.0 110.988 -177.66 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 71.5 t -93.3 -49.59 12.73 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.401 0 CA-C-O 121.223 0.535 . . . . 0.0 110.295 179.784 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 22' ' ' TRP . . . . . . . . . . . . . 9.3 m0 -88.17 170.63 10.87 Favored 'General case' 0 C--N 1.32 -0.702 0 CA-C-N 115.608 -0.724 . . . . 0.0 110.382 -179.066 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 7.7 m -79.52 146.53 32.61 Favored 'General case' 0 C--N 1.321 -0.66 0 N-CA-C 109.375 -0.602 . . . . 0.0 109.375 175.067 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 14.4 p -52.66 -39.18 29.3 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.463 0 N-CA-C 112.482 0.549 . . . . 0.0 112.482 -173.668 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -64.61 -53.51 34.73 Favored Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.711 -0.756 . . . . 0.0 111.842 179.302 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 26' ' ' TYR . . . . . . . . . . . . . 73.4 t80 -58.83 -42.86 90.25 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.874 0.369 . . . . 0.0 110.693 178.287 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -61.82 -40.96 97.1 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.023 -0.535 . . . . 0.0 111.149 -179.658 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 62.3 m -66.48 -45.58 79.19 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.463 -0.335 . . . . 0.0 111.002 178.985 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 28.6 mm-40 -60.28 -46.98 87.93 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-O 120.845 0.355 . . . . 0.0 111.144 177.584 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 10.2 tt -60.14 -47.46 85.84 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.012 -0.54 . . . . 0.0 110.297 179.399 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 31' ' ' ALA . . . . . 0.448 ' HB2' ' CE1' ' A' ' 15' ' ' TYR . . . -63.83 -42.57 97.6 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 116.037 -0.529 . . . . 0.0 111.301 -179.235 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 17.8 ttpp -66.44 -45.79 78.63 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-O 120.747 0.308 . . . . 0.0 110.352 -178.233 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 33' ' ' MET . . . . . 0.559 ' SD ' ' HD3' ' A' ' 70' ' ' ARG . 50.7 ttp -59.21 -49.75 76.64 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.059 -0.519 . . . . 0.0 110.543 177.323 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 34' ' ' PHE . . . . . 0.644 ' O ' ' HB ' ' A' ' 38' ' ' ILE . 22.2 t80 -61.84 -38.02 86.66 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 115.506 -0.77 . . . . 0.0 110.051 -179.188 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 35' ' ' ASP . . . . . 0.762 ' HA ' HD23 ' A' ' 39' ' ' LEU . 13.2 t70 -65.99 -53.82 34.01 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 115.939 -0.573 . . . . 0.0 110.768 178.931 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 58.5 m-20 -55.92 -36.26 67.52 Favored 'General case' 0 N--CA 1.468 0.441 0 CA-C-N 115.871 -0.604 . . . . 0.0 112.578 -174.333 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 37' ' ' ASP . . . . . 0.448 ' O ' HG12 ' A' ' 41' ' ' ILE . 21.1 m-20 -103.2 -50.95 3.35 Favored 'General case' 0 C--N 1.324 -0.521 0 N-CA-C 112.766 0.654 . . . . 0.0 112.766 -175.841 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 38' ' ' ILE . . . . . 0.644 ' HB ' ' O ' ' A' ' 34' ' ' PHE . 2.0 mp -68.89 -41.26 81.97 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.426 0 N-CA-C 112.021 0.378 . . . . 0.0 112.021 -172.913 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 39' ' ' LEU . . . . . 0.762 HD23 ' HA ' ' A' ' 35' ' ' ASP . 3.1 mm? -60.05 -51.13 82.67 Favored Pre-proline 0 CA--C 1.535 0.371 0 N-CA-C 112.716 0.636 . . . . 0.0 112.716 -174.508 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 33.4 Cg_exo -61.03 -18.77 59.82 Favored 'Trans proline' 0 C--N 1.351 0.661 0 C-N-CA 122.065 1.844 . . . . 0.0 113.187 177.389 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 41' ' ' ILE . . . . . 0.503 HG22 HG23 ' A' ' 42' ' ' ILE . 43.0 mm -97.13 -64.67 1.33 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-O 120.614 0.245 . . . . 0.0 111.396 -176.592 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 42' ' ' ILE . . . . . 0.503 HG23 HG22 ' A' ' 41' ' ' ILE . 10.9 pt -121.46 3.81 6.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 N-CA-C 111.857 0.317 . . . . 0.0 111.857 -175.908 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 43' ' ' GLY . . . . . 0.54 ' HA3' ' HA ' ' A' ' 39' ' ' LEU . . . -56.92 -42.24 92.32 Favored Glycine 0 CA--C 1.512 -0.108 0 C-N-CA 120.847 -0.692 . . . . 0.0 112.673 -175.94 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -88.65 8.92 77.95 Favored Glycine 0 N--CA 1.447 -0.582 0 C-N-CA 120.766 -0.73 . . . . 0.0 112.832 -178.514 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 96.0 mt -95.59 141.36 29.19 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 116.961 0.38 . . . . 0.0 110.149 179.531 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 46' ' ' GLU . . . . . 0.588 ' HA ' ' HA ' ' A' ' 6' ' ' SER . 45.9 mt-10 -71.28 136.75 48.08 Favored 'General case' 0 C--N 1.32 -0.683 0 N-CA-C 109.542 -0.54 . . . . 0.0 109.542 175.778 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 14.6 tt -60.9 -23.06 28.32 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.573 0 CA-C-N 115.966 -0.561 . . . . 0.0 112.148 -170.098 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 19.1 mt-30 -90.77 -5.74 55.27 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.757 -0.201 . . . . 0.0 111.229 178.912 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 21.4 t70 -122.31 6.53 9.64 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-O 120.892 0.377 . . . . 0.0 111.384 -172.76 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 50' ' ' ILE . . . . . 0.487 HG13 ' O ' ' A' ' 46' ' ' GLU . 74.1 mt -71.83 127.11 33.44 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 CA-C-O 121.008 0.432 . . . . 0.0 110.516 179.388 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 51' ' ' GLU . . . . . 0.403 ' HA ' ' HD3' ' A' ' 52' ' ' PRO . 1.5 pm0 -84.14 144.76 44.68 Favored Pre-proline 0 C--N 1.32 -0.682 0 CA-C-N 115.769 -0.65 . . . . 0.0 110.989 -178.975 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 52' ' ' PRO . . . . . 0.476 ' HB3' ' HB3' ' A' ' 98' ' ' ASP . 68.5 Cg_exo -51.86 -46.68 30.64 Favored 'Trans proline' 0 C--O 1.233 0.233 0 C-N-CA 123.486 2.79 . . . . 0.0 113.378 -178.96 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 53' ' ' MET . . . . . . . . . . . . . 89.7 mtp -69.25 -21.92 63.87 Favored 'General case' 0 C--N 1.328 -0.364 0 N-CA-C 111.842 0.312 . . . . 0.0 111.842 -174.966 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 7.3 tp60 -82.45 -31.94 29.21 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-O 121.365 0.602 . . . . 0.0 109.68 177.466 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 29.1 tp -69.87 -39.73 76.16 Favored 'General case' 0 C--N 1.324 -0.51 0 N-CA-C 109.27 -0.641 . . . . 0.0 109.27 175.323 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 2.6 tm? -64.56 -29.64 70.66 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 115.763 -0.653 . . . . 0.0 109.414 173.664 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 57' ' ' GLU . . . . . 0.422 ' CD ' HH21 ' A' ' 60' ' ' ARG . 6.0 tp10 -63.19 -34.93 78.7 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.182 177.663 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 58' ' ' VAL . . . . . 0.482 HG11 HG13 ' A' ' 38' ' ' ILE . 76.7 t -61.82 -54.47 34.25 Favored 'Isoleucine or valine' 0 C--O 1.233 0.184 0 CA-C-O 120.962 0.41 . . . . 0.0 110.406 173.481 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 59' ' ' ILE . . . . . . . . . . . . . 1.8 mp -55.32 -44.08 73.92 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.272 0 CA-C-N 115.998 -0.546 . . . . 0.0 110.387 177.906 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 60' ' ' ARG . . . . . 0.422 HH21 ' CD ' ' A' ' 57' ' ' GLU . 24.9 ttp180 -70.77 -23.56 62.42 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 115.712 -0.676 . . . . 0.0 111.142 -178.151 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 15.5 tpt180 -64.74 -40.5 95.42 Favored 'General case' 0 C--N 1.33 -0.259 0 N-CA-C 109.663 -0.495 . . . . 0.0 109.663 175.215 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 62' ' ' PHE . . . . . . . . . . . . . 79.4 m-85 -72.97 -30.03 63.52 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 115.975 -0.557 . . . . 0.0 111.023 176.309 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 34.8 tt0 -64.04 -39.42 94.06 Favored 'General case' 0 C--N 1.331 -0.206 0 N-CA-C 109.897 -0.409 . . . . 0.0 109.897 176.123 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 12.7 t70 -57.28 -37.35 72.25 Favored 'General case' 0 N--CA 1.463 0.19 0 CA-C-N 115.743 -0.662 . . . . 0.0 110.806 176.024 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 91.6 mtt-85 -75.55 -23.1 56.57 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 115.801 -0.636 . . . . 0.0 110.802 179.55 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 90.44 7.88 66.68 Favored Glycine 0 N--CA 1.447 -0.606 0 C-N-CA 120.7 -0.762 . . . . 0.0 111.223 -173.949 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -89.51 88.5 7.47 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-O 120.931 0.396 . . . . 0.0 110.253 -179.183 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 68' ' ' MET . . . . . 0.518 ' HA ' ' CE ' ' A' ' 68' ' ' MET . 0.0 OUTLIER -72.97 -35.12 66.86 Favored 'General case' 0 C--N 1.324 -0.538 0 CA-C-N 116.0 -0.545 . . . . 0.0 110.394 -176.038 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 24.0 tt0 -60.58 -54.5 44.71 Favored 'General case' 0 CA--C 1.519 -0.24 0 CA-C-N 116.028 -0.533 . . . . 0.0 110.014 178.229 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 70' ' ' ARG . . . . . 0.559 ' HD3' ' SD ' ' A' ' 33' ' ' MET . 48.3 mtt-85 -66.92 -25.13 66.22 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 115.474 -0.784 . . . . 0.0 110.968 -176.147 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -65.96 -50.19 65.21 Favored 'General case' 0 C--O 1.235 0.318 0 CA-C-O 121.156 0.503 . . . . 0.0 110.344 175.769 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 72' ' ' ASN . . . . . . . . . . . . . 4.6 m-20 -71.75 -27.99 63.36 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-O 121.284 0.564 . . . . 0.0 110.297 179.021 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 73' ' ' LYS . . . . . 0.419 ' HB3' ' HA ' ' A' ' 70' ' ' ARG . 75.6 tttt -73.49 -37.95 65.55 Favored 'General case' 0 C--N 1.323 -0.546 0 CA-C-N 115.469 -0.787 . . . . 0.0 110.62 179.613 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -58.69 -51.46 69.85 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.508 -0.315 . . . . 0.0 110.237 175.535 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 70.6 ttt180 -51.06 -50.09 59.36 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 115.946 -0.57 . . . . 0.0 111.271 178.532 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 83.6 mtm180 -73.12 -27.54 61.75 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-N 115.833 -0.621 . . . . 0.0 111.801 -175.54 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 77' ' ' ARG . . . . . 0.628 ' NE ' ' HA ' ' A' ' 77' ' ' ARG . 0.0 OUTLIER -79.06 -35.25 42.84 Favored 'General case' 0 C--N 1.329 -0.291 0 C-N-CA 120.71 -0.396 . . . . 0.0 110.066 179.266 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 78' ' ' CYS . . . . . . . . . . . . . 94.9 m -65.83 -40.18 91.56 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 120.805 0.336 . . . . 0.0 110.184 174.547 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . -60.98 -33.22 83.02 Favored Glycine 0 C--N 1.334 0.421 0 C-N-CA 120.896 -0.669 . . . . 0.0 111.931 174.768 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 80' ' ' GLU . . . . . 0.427 ' HB3' ' O ' ' A' ' 77' ' ' ARG . 28.1 tp10 -65.1 -43.58 91.61 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-O 120.9 0.381 . . . . 0.0 110.254 175.208 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 81' ' ' VAL . . . . . 0.411 HG23 ' O ' ' A' ' 77' ' ' ARG . 62.0 t -64.86 -40.46 89.15 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.251 0 CA-C-N 116.291 -0.413 . . . . 0.0 110.455 177.012 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 82' ' ' PHE . . . . . 0.432 ' O ' HG13 ' A' ' 86' ' ' ILE . 19.1 m-85 -60.1 -43.43 95.59 Favored 'General case' 0 C--N 1.332 -0.154 0 CA-C-N 116.292 -0.413 . . . . 0.0 110.378 176.379 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 83' ' ' ARG . . . . . 0.412 ' O ' HG23 ' A' ' 87' ' ' VAL . 31.8 ttt180 -57.37 -49.76 75.13 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 115.949 -0.569 . . . . 0.0 110.307 175.968 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 84' ' ' TYR . . . . . . . . . . . . . 64.4 t80 -56.11 -42.76 77.33 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 115.941 -0.572 . . . . 0.0 110.428 179.072 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -67.62 -35.59 79.23 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 115.819 -0.628 . . . . 0.0 111.839 -178.179 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 86' ' ' ILE . . . . . 0.432 HG13 ' O ' ' A' ' 82' ' ' PHE . 82.2 mt -66.93 -42.59 89.08 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.446 0 CA-C-O 121.061 0.457 . . . . 0.0 110.17 176.982 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 87' ' ' VAL . . . . . 0.412 HG23 ' O ' ' A' ' 83' ' ' ARG . 64.5 t -68.06 -33.86 63.45 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.37 0 CA-C-N 115.884 -0.598 . . . . 0.0 110.907 179.416 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 88' ' ' THR . . . . . . . . . . . . . 17.0 p -85.2 0.42 51.89 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-O 120.875 0.369 . . . . 0.0 111.467 179.903 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . 69.39 30.86 71.18 Favored Glycine 0 N--CA 1.452 -0.286 0 C-N-CA 121.194 -0.527 . . . . 0.0 112.757 177.227 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 99.2 mtt180 -113.29 -3.38 13.84 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-O 120.568 0.223 . . . . 0.0 111.022 179.624 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . -139.04 130.71 27.4 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-O 120.893 0.378 . . . . 0.0 110.884 176.924 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 63.7 tttp -96.63 -34.73 11.29 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 115.757 -0.656 . . . . 0.0 110.378 179.003 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 93' ' ' TYR . . . . . . . . . . . . . 87.7 t80 -142.71 144.37 32.66 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 115.573 -0.74 . . . . 0.0 109.683 -178.102 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 94' ' ' ASN . . . . . . . . . . . . . 26.2 p-10 -120.52 133.8 24.09 Favored Pre-proline 0 C--N 1.323 -0.55 0 CA-C-O 120.786 0.327 . . . . 0.0 110.459 178.228 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 95' ' ' PRO . . . . . . . . . . . . . 73.3 Cg_endo -76.7 34.28 0.44 Allowed 'Trans proline' 0 CA--C 1.529 0.255 0 C-N-CA 122.999 2.466 . . . . 0.0 113.04 -178.096 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 96' ' ' ALA . . . . . 0.524 ' N ' ' HD2' ' A' ' 97' ' ' PRO . . . -68.12 -48.31 38.14 Favored Pre-proline 0 CA--C 1.537 0.47 0 CA-C-N 116.333 -0.394 . . . . 0.0 111.661 -179.203 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 97' ' ' PRO . . . . . 0.524 ' HD2' ' N ' ' A' ' 96' ' ' ALA . 18.0 Cg_endo -60.62 -35.54 89.29 Favored 'Trans proline' 0 C--N 1.357 1.003 0 C-N-CA 121.82 1.68 . . . . 0.0 111.615 174.514 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 98' ' ' ASP . . . . . 0.476 ' HB3' ' HB3' ' A' ' 52' ' ' PRO . 15.0 m-20 -66.93 -37.96 85.3 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.022 -0.535 . . . . 0.0 110.268 178.987 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 99' ' ' LEU . . . . . 0.456 ' C ' HD13 ' A' ' 99' ' ' LEU . 3.3 tm? -54.76 -49.74 70.15 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 115.421 -0.808 . . . . 0.0 109.956 175.22 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 100' ' ' ALA . . . . . 0.554 ' O ' ' HG3' ' A' ' 104' ' ' LYS . . . -71.7 -24.57 61.83 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-N 115.787 -0.642 . . . . 0.0 110.967 -179.152 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 17.6 t70 -68.35 -50.41 53.4 Favored 'General case' 0 C--N 1.324 -0.531 0 CA-C-N 115.936 -0.575 . . . . 0.0 110.514 -179.724 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -65.51 -35.79 81.91 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-N 115.963 -0.562 . . . . 0.0 110.598 177.592 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 103' ' ' MET . . . . . . . . . . . . . 54.5 ttm -55.22 -39.54 69.78 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.087 -0.506 . . . . 0.0 111.12 177.494 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 104' ' ' LYS . . . . . 0.554 ' HG3' ' O ' ' A' ' 100' ' ' ALA . 43.7 mttp . . . . . 0 C--N 1.33 -0.252 0 CA-C-O 120.848 0.356 . . . . 0.0 110.79 178.596 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 29.1 p-10 . . . . . 0 C--O 1.236 0.359 0 N-CA-C 111.666 0.247 . . . . 0.0 111.666 . . . . . . . . . 0 0 . 1 . 019 nuclear build core ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 62.1 p -69.75 154.07 42.49 Favored 'General case' 0 C--O 1.238 0.467 0 N-CA-C 110.011 -0.366 . . . . 0.0 110.011 176.916 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 7' ' ' PHE . . . . . . . . . . . . . 43.5 t80 -60.96 -41.09 95.67 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-N 116.38 -0.373 . . . . 0.0 110.548 -178.363 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 29.0 t -60.48 -39.53 87.97 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.463 -0.335 . . . . 0.0 111.185 179.487 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -66.87 -45.38 78.27 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.937 0.398 . . . . 0.0 111.163 -178.556 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 56.0 mt -73.46 -33.77 40.82 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.436 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.511 -179.806 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 0.4 OUTLIER -60.09 -41.02 91.61 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.232 173.39 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 4.9 tmtp? -63.57 -44.27 94.59 Favored 'General case' 0 C--N 1.326 -0.44 0 N-CA-C 109.915 -0.402 . . . . 0.0 109.915 179.66 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 10.4 tp10 -60.3 -49.56 77.12 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 115.95 -0.568 . . . . 0.0 110.154 176.261 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 14' ' ' TRP . . . . . 0.59 ' HH2' ' HD3' ' A' ' 77' ' ' ARG . 64.6 t90 -56.79 -49.2 76.05 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 115.431 -0.804 . . . . 0.0 110.614 177.121 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 15' ' ' TYR . . . . . 0.441 ' CE1' ' HB2' ' A' ' 31' ' ' ALA . 35.6 t80 -55.74 -50.83 69.32 Favored 'General case' 0 C--O 1.223 -0.297 0 CA-C-N 116.123 -0.49 . . . . 0.0 111.462 -179.827 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 41.1 mt-10 -62.45 -27.79 69.36 Favored 'General case' 0 C--N 1.327 -0.37 0 N-CA-C 111.71 0.263 . . . . 0.0 111.71 -176.994 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 17' ' ' HIS . . . . . . . . . . . . . 75.1 t60 -78.89 -43.91 23.87 Favored 'General case' 0 C--N 1.323 -0.554 0 CA-C-O 120.733 0.301 . . . . 0.0 110.396 178.264 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 18' ' ' LYS . . . . . 0.544 ' HG2' ' O ' ' A' ' 14' ' ' TRP . 24.9 mmmt -71.05 -25.3 62.58 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 121.248 0.547 . . . . 0.0 109.91 178.926 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 89.1 tttt -62.5 -16.68 57.01 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 115.484 -0.78 . . . . 0.0 111.007 -179.614 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 70.8 mm-40 -79.52 -28.59 41.35 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-O 120.725 0.297 . . . . 0.0 110.775 -179.993 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 28.3 m -100.94 -9.23 9.02 Favored 'Isoleucine or valine' 0 C--O 1.236 0.359 0 CA-C-O 120.838 0.352 . . . . 0.0 111.423 -177.612 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 22' ' ' TRP . . . . . . . . . . . . . 52.7 m0 -102.74 160.0 14.98 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-O 120.846 0.355 . . . . 0.0 110.25 177.808 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 5.8 p -77.32 133.71 38.7 Favored 'General case' 0 C--N 1.323 -0.567 0 N-CA-C 108.645 -0.872 . . . . 0.0 108.645 170.921 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 43.0 t -56.32 -38.52 55.59 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.421 0 N-CA-C 112.147 0.425 . . . . 0.0 112.147 -171.688 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -58.24 -51.92 55.68 Favored Glycine 0 N--CA 1.451 -0.358 0 C-N-CA 120.712 -0.756 . . . . 0.0 111.76 177.146 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 26' ' ' TYR . . . . . . . . . . . . . 82.0 t80 -66.85 -40.63 87.99 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-O 120.673 0.273 . . . . 0.0 110.868 178.377 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -57.9 -39.26 77.48 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.004 -179.077 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 8.5 m -72.34 -37.07 68.94 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-N 116.453 -0.34 . . . . 0.0 110.827 -179.832 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 72.7 mm-40 -63.64 -45.71 89.0 Favored 'General case' 0 C--O 1.234 0.259 0 CA-C-O 120.952 0.406 . . . . 0.0 110.065 176.848 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 9.4 tt -64.0 -47.48 80.13 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 115.806 -0.634 . . . . 0.0 110.049 178.87 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 31' ' ' ALA . . . . . 0.441 ' HB2' ' CE1' ' A' ' 15' ' ' TYR . . . -58.37 -44.3 88.82 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 115.859 -0.609 . . . . 0.0 111.253 -178.485 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 86.0 tttt -67.11 -41.33 86.43 Favored 'General case' 0 C--O 1.221 -0.413 0 C-N-CA 120.165 -0.614 . . . . 0.0 111.009 -178.247 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 33' ' ' MET . . . . . . . . . . . . . 24.3 ttp -60.03 -46.84 88.17 Favored 'General case' 0 N--CA 1.465 0.29 0 CA-C-O 121.238 0.542 . . . . 0.0 109.684 177.759 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 34' ' ' PHE . . . . . 0.467 ' CD2' HG13 ' A' ' 38' ' ' ILE . 26.7 t80 -57.96 -60.04 4.34 Favored 'General case' 0 C--O 1.219 -0.514 0 CA-C-N 115.097 -0.956 . . . . 0.0 109.236 177.456 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 35' ' ' ASP . . . . . 0.629 ' HA ' HD23 ' A' ' 39' ' ' LEU . 13.9 t70 -54.19 -46.66 72.47 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-N 116.003 -0.544 . . . . 0.0 111.831 -178.693 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 27.3 t70 -63.45 -31.72 72.96 Favored 'General case' 0 C--N 1.327 -0.38 0 N-CA-C 112.382 0.512 . . . . 0.0 112.382 -173.676 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 5.1 m-20 -99.4 -39.92 8.14 Favored 'General case' 0 C--N 1.328 -0.346 0 N-CA-C 111.83 0.307 . . . . 0.0 111.83 179.213 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 38' ' ' ILE . . . . . 0.49 HD13 HG11 ' A' ' 58' ' ' VAL . 25.8 mm -67.04 -44.99 87.91 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 CA-C-N 116.347 -0.388 . . . . 0.0 111.784 -177.086 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 39' ' ' LEU . . . . . 0.63 ' HA ' ' HA3' ' A' ' 43' ' ' GLY . 2.6 mm? -60.92 -51.9 76.11 Favored Pre-proline 0 C--N 1.326 -0.422 0 N-CA-C 113.421 0.897 . . . . 0.0 113.421 -171.703 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 40' ' ' PRO . . . . . 0.415 ' HD2' ' N ' ' A' ' 39' ' ' LEU . 44.4 Cg_endo -68.42 -3.6 11.3 Favored 'Trans proline' 0 C--N 1.35 0.657 0 C-N-CA 121.909 1.739 . . . . 0.0 113.184 -179.623 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 41' ' ' ILE . . . . . 0.636 HG22 HG23 ' A' ' 42' ' ' ILE . 36.3 mm -110.63 -56.11 4.6 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.376 0 CA-C-O 120.507 0.194 . . . . 0.0 111.369 179.76 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 42' ' ' ILE . . . . . 0.636 HG23 HG22 ' A' ' 41' ' ' ILE . 6.0 pt -136.2 4.17 0.92 Allowed 'Isoleucine or valine' 0 N--CA 1.467 0.404 0 N-CA-C 112.842 0.682 . . . . 0.0 112.842 -173.864 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 43' ' ' GLY . . . . . 0.63 ' HA3' ' HA ' ' A' ' 39' ' ' LEU . . . -59.65 -40.55 96.61 Favored Glycine 0 CA--C 1.51 -0.271 0 C-N-CA 120.507 -0.854 . . . . 0.0 113.262 -173.257 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -91.5 12.08 70.32 Favored Glycine 0 N--CA 1.441 -1.009 0 C-N-CA 120.645 -0.788 . . . . 0.0 112.338 -177.867 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 81.2 mt -96.76 152.49 18.62 Favored 'General case' 0 N--CA 1.449 -0.478 0 CA-C-N 116.886 0.343 . . . . 0.0 110.153 179.804 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 46' ' ' GLU . . . . . 0.558 ' O ' HG13 ' A' ' 50' ' ' ILE . 43.4 mt-10 -68.59 137.25 54.12 Favored 'General case' 0 C--N 1.324 -0.534 0 N-CA-C 108.766 -0.827 . . . . 0.0 108.766 174.597 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 47' ' ' ILE . . . . . 0.48 HD11 ' HA ' ' A' ' 82' ' ' PHE . 19.0 tt -61.96 -21.36 26.0 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.584 0 CA-C-O 121.424 0.63 . . . . 0.0 110.796 -177.313 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 42.8 mt-30 -86.71 -20.7 27.33 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 115.654 -0.703 . . . . 0.0 110.871 178.427 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 20.9 t70 -113.41 22.11 14.52 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-O 121.254 0.549 . . . . 0.0 111.092 -166.38 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 50' ' ' ILE . . . . . 0.558 HG13 ' O ' ' A' ' 46' ' ' GLU . 83.6 mt -88.94 128.31 41.14 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.045 179.778 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 51' ' ' GLU . . . . . 0.984 ' HB2' ' HB2' ' A' ' 54' ' ' GLN . 57.3 mm-40 -67.52 145.05 98.18 Favored Pre-proline 0 C--N 1.327 -0.398 0 CA-C-N 115.526 -0.761 . . . . 0.0 110.681 179.576 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 52' ' ' PRO . . . . . . . . . . . . . 44.9 Cg_exo -57.04 -45.14 37.97 Favored 'Trans proline' 0 C--N 1.342 0.23 0 C-N-CA 122.545 2.163 . . . . 0.0 112.114 176.738 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 53' ' ' MET . . . . . 0.43 ' HA ' ' HB3' ' A' ' 56' ' ' LEU . 85.1 mtp -78.32 -8.29 58.24 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 120.966 0.413 . . . . 0.0 110.699 179.459 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 54' ' ' GLN . . . . . 0.984 ' HB2' ' HB2' ' A' ' 51' ' ' GLU . 31.3 tp60 -81.46 -41.46 21.76 Favored 'General case' 0 C--N 1.324 -0.512 0 N-CA-C 108.818 -0.808 . . . . 0.0 108.818 176.868 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 28.8 tp -65.57 -37.42 86.62 Favored 'General case' 0 C--N 1.324 -0.531 0 CA-C-N 115.423 -0.808 . . . . 0.0 109.034 172.725 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 56' ' ' LEU . . . . . 0.525 HD22 ' O ' ' A' ' 56' ' ' LEU . 1.9 tm? -63.42 -34.73 78.38 Favored 'General case' 0 C--O 1.221 -0.44 0 CA-C-N 115.608 -0.724 . . . . 0.0 109.911 173.344 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 57' ' ' GLU . . . . . 0.475 ' HG3' ' NH2' ' A' ' 60' ' ' ARG . 28.4 tt0 -59.88 -36.35 76.74 Favored 'General case' 0 C--N 1.325 -0.465 0 N-CA-C 110.404 -0.221 . . . . 0.0 110.404 179.783 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 58' ' ' VAL . . . . . 0.508 ' O ' ' HB3' ' A' ' 61' ' ' ARG . 90.4 t -62.31 -57.98 9.63 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.381 0 CA-C-O 121.12 0.486 . . . . 0.0 110.995 173.639 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 59' ' ' ILE . . . . . 0.571 HG23 ' HB1' ' A' ' 71' ' ' ALA . 1.7 mp -58.24 -44.2 87.46 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.42 0 CA-C-N 116.043 -0.526 . . . . 0.0 110.716 -179.178 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 60' ' ' ARG . . . . . 0.475 ' NH2' ' HG3' ' A' ' 57' ' ' GLU . 34.0 ttp180 -62.03 -32.83 73.37 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 115.816 -0.629 . . . . 0.0 110.453 178.15 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 61' ' ' ARG . . . . . 0.508 ' HB3' ' O ' ' A' ' 58' ' ' VAL . 19.8 tpt85 -61.81 -35.56 78.57 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 115.82 -0.627 . . . . 0.0 110.235 176.991 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 62' ' ' PHE . . . . . . . . . . . . . 71.7 m-85 -75.34 -42.91 53.2 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.589 175.415 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 63' ' ' GLU . . . . . 0.406 ' HG3' ' O ' ' A' ' 59' ' ' ILE . 42.7 mt-10 -61.32 -29.41 69.86 Favored 'General case' 0 N--CA 1.465 0.288 0 CA-C-O 121.044 0.449 . . . . 0.0 111.026 179.317 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 35.9 t70 -61.6 -26.69 68.14 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-N 115.617 -0.72 . . . . 0.0 110.776 178.147 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 65' ' ' ARG . . . . . 0.42 ' NH1' ' HG3' ' A' ' 61' ' ' ARG . 2.6 mpp_? -102.99 -0.07 31.43 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.865 177.28 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 81.57 13.12 80.77 Favored Glycine 0 N--CA 1.447 -0.587 0 C-N-CA 120.458 -0.877 . . . . 0.0 111.779 179.548 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 67' ' ' ALA . . . . . 0.477 ' HB1' ' HB2' ' A' ' 70' ' ' ARG . . . -83.4 73.81 10.13 Favored 'General case' 0 C--N 1.321 -0.631 0 N-CA-C 109.738 -0.467 . . . . 0.0 109.738 178.223 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 68' ' ' MET . . . . . . . . . . . . . 38.7 mmm -71.72 -40.07 69.69 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-N 115.876 -0.602 . . . . 0.0 110.623 -173.093 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 19.6 mm-40 -69.83 -35.66 74.96 Favored 'General case' 0 C--N 1.323 -0.58 0 CA-C-N 115.85 -0.614 . . . . 0.0 110.019 179.498 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 70' ' ' ARG . . . . . 0.477 ' HB2' ' HB1' ' A' ' 67' ' ' ALA . 70.2 mtt180 -69.97 -34.24 73.13 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.253 176.887 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 71' ' ' ALA . . . . . 0.571 ' HB1' HG23 ' A' ' 59' ' ' ILE . . . -62.34 -49.36 75.9 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-O 120.97 0.414 . . . . 0.0 110.147 175.803 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 72' ' ' ASN . . . . . . . . . . . . . 29.5 m-80 -61.1 -36.99 81.15 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 115.814 -0.63 . . . . 0.0 110.828 175.398 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 85.0 tttt -63.71 -50.96 67.12 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 115.826 -0.625 . . . . 0.0 110.117 178.408 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -55.1 -49.76 70.9 Favored 'General case' 0 CA--C 1.52 -0.201 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.423 177.478 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 75.2 ttt180 -51.26 -46.6 62.44 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 115.114 -0.948 . . . . 0.0 111.776 179.51 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 45.1 ttm-85 -74.17 -44.03 55.06 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.545 -0.298 . . . . 0.0 111.399 -177.382 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 77' ' ' ARG . . . . . 0.59 ' HD3' ' HH2' ' A' ' 14' ' ' TRP . 2.2 mmp_? -60.26 -42.38 95.21 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.546 -0.297 . . . . 0.0 110.353 -179.869 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 78' ' ' CYS . . . . . . . . . . . . . 85.2 m -64.41 -39.12 93.23 Favored 'General case' 0 CA--C 1.523 -0.082 0 CA-C-N 116.427 -0.352 . . . . 0.0 110.465 177.843 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . -55.03 -36.93 61.71 Favored Glycine 0 C--N 1.333 0.38 0 C-N-CA 121.255 -0.498 . . . . 0.0 112.382 177.695 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 47.3 mt-10 -71.4 -36.29 71.31 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-O 120.501 0.191 . . . . 0.0 111.291 177.408 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 56.6 t -61.31 -46.74 96.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-O 121.062 0.458 . . . . 0.0 109.777 175.322 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 82' ' ' PHE . . . . . 0.48 ' HA ' HD11 ' A' ' 47' ' ' ILE . 67.2 m-85 -61.75 -41.22 97.39 Favored 'General case' 0 C--N 1.333 -0.14 0 CA-C-N 115.785 -0.643 . . . . 0.0 110.123 174.794 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 83' ' ' ARG . . . . . 0.479 ' O ' HG23 ' A' ' 87' ' ' VAL . 40.0 ttm180 -58.22 -46.72 85.38 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 115.746 -0.661 . . . . 0.0 111.122 -179.903 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 84' ' ' TYR . . . . . . . . . . . . . 68.2 t80 -60.43 -41.57 94.26 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-O 120.808 0.337 . . . . 0.0 110.114 178.416 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 85' ' ' ALA . . . . . 0.453 ' HA ' HG22 ' A' ' 88' ' ' THR . . . -63.53 -32.55 74.04 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 115.943 -0.571 . . . . 0.0 111.066 178.82 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 86' ' ' ILE . . . . . 0.473 HG13 ' O ' ' A' ' 82' ' ' PHE . 75.2 mt -71.28 -44.25 73.23 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.4 0 CA-C-O 120.704 0.288 . . . . 0.0 110.237 176.296 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 87' ' ' VAL . . . . . 0.479 HG23 ' O ' ' A' ' 83' ' ' ARG . 92.5 t -60.73 -41.19 87.44 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.237 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.036 179.407 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 88' ' ' THR . . . . . 0.526 HG23 ' HG3' ' A' ' 90' ' ' ARG . 15.2 t -81.99 5.87 17.87 Favored 'General case' 0 CA--C 1.537 0.477 0 CA-C-O 121.007 0.432 . . . . 0.0 110.908 179.981 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . 67.66 30.45 74.75 Favored Glycine 0 C--N 1.329 0.18 0 C-N-CA 121.296 -0.478 . . . . 0.0 113.461 173.53 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 90' ' ' ARG . . . . . 0.526 ' HG3' HG23 ' A' ' 88' ' ' THR . 99.6 mtt180 -99.82 -41.2 7.35 Favored 'General case' 0 C--N 1.322 -0.601 0 CA-C-O 121.035 0.445 . . . . 0.0 110.25 176.785 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . -104.33 136.56 43.69 Favored 'General case' 0 C--N 1.32 -0.688 0 CA-C-N 115.822 -0.626 . . . . 0.0 110.278 179.028 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 62.4 tttp -101.42 -30.21 11.57 Favored 'General case' 0 C--N 1.32 -0.709 0 CA-C-O 121.333 0.587 . . . . 0.0 109.809 179.846 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 93' ' ' TYR . . . . . . . . . . . . . 93.0 t80 -146.88 135.55 22.11 Favored 'General case' 0 C--N 1.321 -0.664 0 CA-C-N 115.416 -0.811 . . . . 0.0 110.276 -177.05 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 94' ' ' ASN . . . . . . . . . . . . . 26.2 p-10 -112.37 133.78 21.7 Favored Pre-proline 0 C--N 1.32 -0.704 0 CA-C-N 115.961 -0.563 . . . . 0.0 109.798 176.503 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 95' ' ' PRO . . . . . 0.41 ' HA ' ' OD1' ' A' ' 98' ' ' ASP . 73.8 Cg_endo -76.99 36.9 0.55 Allowed 'Trans proline' 0 CA--C 1.532 0.379 0 C-N-CA 122.705 2.27 . . . . 0.0 112.905 -177.304 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 96' ' ' ALA . . . . . 0.523 ' N ' ' HD2' ' A' ' 97' ' ' PRO . . . -70.45 -46.53 19.19 Favored Pre-proline 0 CA--C 1.537 0.471 0 CA-C-N 116.324 -0.398 . . . . 0.0 111.816 179.754 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 97' ' ' PRO . . . . . 0.523 ' HD2' ' N ' ' A' ' 96' ' ' ALA . 20.5 Cg_endo -63.06 -34.2 70.78 Favored 'Trans proline' 0 C--N 1.355 0.92 0 C-N-CA 121.686 1.591 . . . . 0.0 111.723 174.499 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 98' ' ' ASP . . . . . 0.41 ' OD1' ' HA ' ' A' ' 95' ' ' PRO . 3.8 m-20 -66.04 -44.31 85.01 Favored 'General case' 0 CA--C 1.518 -0.265 0 CA-C-N 115.818 -0.628 . . . . 0.0 109.547 176.736 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 99' ' ' LEU . . . . . 0.435 ' HB3' ' O ' ' A' ' 96' ' ' ALA . 1.7 tm? -51.67 -46.44 63.79 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 114.978 -1.01 . . . . 0.0 110.313 174.528 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 100' ' ' ALA . . . . . 0.53 ' O ' ' HG3' ' A' ' 104' ' ' LYS . . . -60.96 -52.18 66.1 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.416 -179.339 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 13.3 t70 -66.36 -42.12 88.49 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.066 -174.966 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -61.52 -44.95 96.13 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 115.995 -0.548 . . . . 0.0 110.656 178.232 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 103' ' ' MET . . . . . . . . . . . . . 29.5 ttm -55.39 -35.51 65.39 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 115.986 -0.552 . . . . 0.0 110.954 177.798 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 104' ' ' LYS . . . . . 0.53 ' HG3' ' O ' ' A' ' 100' ' ' ALA . 94.0 mttt . . . . . 0 C--N 1.326 -0.427 0 CA-C-N 115.926 -0.579 . . . . 0.0 111.071 -179.939 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 5' ' ' ASN . . . . . 0.431 ' N ' HD21 ' A' ' 5' ' ' ASN . 0.8 OUTLIER . . . . . 0 C--O 1.233 0.229 0 CA-C-O 120.509 0.195 . . . . 0.0 110.687 . . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 6' ' ' SER . . . . . 0.561 ' HA ' ' HA ' ' A' ' 46' ' ' GLU . 91.2 p -76.77 155.52 33.08 Favored 'General case' 0 C--O 1.237 0.406 0 N-CA-C 109.868 -0.419 . . . . 0.0 109.868 179.926 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 7' ' ' PHE . . . . . 0.519 ' HB2' HD11 ' A' ' 50' ' ' ILE . 33.1 t80 -61.56 -38.74 88.6 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.046 -179.779 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 33.1 p -58.13 -45.33 87.51 Favored 'General case' 0 C--O 1.236 0.366 0 CA-C-N 116.31 -0.405 . . . . 0.0 111.409 178.375 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -64.81 -51.63 61.12 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.002 -0.544 . . . . 0.0 111.094 -177.58 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 54.4 mt -68.34 -33.51 60.84 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 CA-C-N 115.953 -0.567 . . . . 0.0 110.84 -178.222 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 11' ' ' TYR . . . . . 0.532 ' OH ' ' HA ' ' A' ' 31' ' ' ALA . 89.6 t80 -62.51 -48.83 77.83 Favored 'General case' 0 C--O 1.22 -0.449 0 CA-C-N 116.508 -0.315 . . . . 0.0 110.992 179.142 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 62.3 tttm -64.44 -37.25 86.89 Favored 'General case' 0 C--N 1.332 -0.178 0 C-N-CA 120.554 -0.458 . . . . 0.0 110.548 -178.855 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 37.4 tt0 -59.62 -50.08 75.25 Favored 'General case' 0 C--N 1.323 -0.556 0 CA-C-O 121.627 0.727 . . . . 0.0 109.903 177.593 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 14' ' ' TRP . . . . . . . . . . . . . 68.0 t90 -65.13 -42.37 93.95 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-N 114.97 -1.014 . . . . 0.0 110.897 176.565 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 15' ' ' TYR . . . . . 0.422 ' CE1' ' HB2' ' A' ' 31' ' ' ALA . 45.1 t80 -60.4 -49.05 79.13 Favored 'General case' 0 C--O 1.223 -0.302 0 CA-C-N 116.027 -0.533 . . . . 0.0 111.468 179.473 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 2.4 tp10 -60.1 -39.24 85.5 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-O 121.068 0.461 . . . . 0.0 110.282 -177.259 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 17' ' ' HIS . . . . . . . . . . . . . 57.7 t60 -68.45 -47.72 66.43 Favored 'General case' 0 CA--C 1.535 0.396 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.438 177.084 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 29.7 mmtm -68.52 -14.96 63.36 Favored 'General case' 0 N--CA 1.466 0.326 0 CA-C-N 116.355 -0.384 . . . . 0.0 111.601 179.457 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 87.3 tttt -64.42 -21.36 66.62 Favored 'General case' 0 C--N 1.323 -0.569 0 CA-C-N 115.857 -0.611 . . . . 0.0 110.842 -179.027 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 72.8 mt-30 -92.49 -3.14 55.62 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 116.295 -0.411 . . . . 0.0 110.436 178.55 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 47.6 t -97.14 -47.98 12.53 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 CA-C-N 116.081 -0.509 . . . . 0.0 110.373 -178.351 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 22' ' ' TRP . . . . . . . . . . . . . 5.9 m0 -93.46 178.01 5.84 Favored 'General case' 0 C--N 1.323 -0.568 0 CA-C-N 115.968 -0.56 . . . . 0.0 110.079 179.418 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 24.2 p -81.61 142.95 32.31 Favored 'General case' 0 C--N 1.325 -0.482 0 N-CA-C 109.383 -0.599 . . . . 0.0 109.383 174.698 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 14.6 p -58.17 -34.35 49.32 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.293 0 N-CA-C 111.722 0.267 . . . . 0.0 111.722 -175.904 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -63.44 -50.32 63.2 Favored Glycine 0 N--CA 1.448 -0.532 0 C-N-CA 120.597 -0.811 . . . . 0.0 111.882 178.207 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 26' ' ' TYR . . . . . . . . . . . . . 83.0 t80 -70.0 -38.88 76.08 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-O 120.624 0.25 . . . . 0.0 110.502 -179.993 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -61.68 -39.67 92.23 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.274 -0.421 . . . . 0.0 111.091 -179.833 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 87.7 m -65.8 -42.82 90.24 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 116.657 -0.247 . . . . 0.0 110.603 178.581 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 50.5 mt-10 -64.98 -44.67 88.55 Favored 'General case' 0 C--N 1.332 -0.168 0 CA-C-O 120.802 0.334 . . . . 0.0 110.496 176.588 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 30' ' ' LEU . . . . . 0.687 HD11 ' HE ' ' A' ' 77' ' ' ARG . 9.9 tt -56.59 -48.55 77.17 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 115.674 -0.694 . . . . 0.0 109.999 177.742 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 31' ' ' ALA . . . . . 0.532 ' HA ' ' OH ' ' A' ' 11' ' ' TYR . . . -65.69 -37.34 86.18 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 116.002 -0.545 . . . . 0.0 110.989 179.399 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 66.5 tttm -66.64 -35.71 80.82 Favored 'General case' 0 CA--C 1.521 -0.159 0 CA-C-O 120.789 0.328 . . . . 0.0 110.473 179.754 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 33' ' ' MET . . . . . . . . . . . . . 54.7 ttp -59.93 -39.36 85.24 Favored 'General case' 0 C--N 1.325 -0.493 0 N-CA-C 109.532 -0.544 . . . . 0.0 109.532 176.802 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 34' ' ' PHE . . . . . 0.684 ' HA ' HD13 ' A' ' 38' ' ' ILE . 28.6 m-85 -75.34 -39.41 59.4 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 115.807 -0.633 . . . . 0.0 111.14 175.895 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 35' ' ' ASP . . . . . 0.696 ' O ' ' HB2' ' A' ' 39' ' ' LEU . 44.6 m-20 -54.86 -57.22 12.49 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-O 121.095 0.474 . . . . 0.0 110.339 175.945 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 11.7 t70 -70.98 -38.65 72.75 Favored 'General case' 0 C--N 1.321 -0.653 0 CA-C-N 115.439 -0.8 . . . . 0.0 112.687 -169.126 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 44.0 m-20 -108.62 -19.93 13.26 Favored 'General case' 0 C--N 1.329 -0.32 0 N-CA-C 113.13 0.789 . . . . 0.0 113.13 -173.793 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 38' ' ' ILE . . . . . 0.684 HD13 ' HA ' ' A' ' 34' ' ' PHE . 1.3 mp -96.41 -42.18 11.94 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.42 0 O-C-N 121.895 -0.503 . . . . 0.0 111.468 179.126 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 39' ' ' LEU . . . . . 0.696 ' HB2' ' O ' ' A' ' 35' ' ' ASP . 3.3 mm? -63.12 -46.6 86.35 Favored Pre-proline 0 CA--C 1.54 0.571 0 N-CA-C 113.105 0.78 . . . . 0.0 113.105 -173.843 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 40' ' ' PRO . . . . . 0.472 ' HD3' ' O ' ' A' ' 35' ' ' ASP . 17.8 Cg_exo -69.01 -7.49 20.99 Favored 'Trans proline' 0 C--N 1.354 0.857 0 C-N-CA 121.931 1.754 . . . . 0.0 112.529 177.959 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 41' ' ' ILE . . . . . 0.645 HG22 HG23 ' A' ' 42' ' ' ILE . 48.2 mm -102.34 -63.03 1.85 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.389 0 CA-C-N 116.49 -0.323 . . . . 0.0 110.66 179.606 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 42' ' ' ILE . . . . . 0.645 HG23 HG22 ' A' ' 41' ' ' ILE . 12.2 pt -127.58 13.05 3.34 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 N-CA-C 111.829 0.307 . . . . 0.0 111.829 -176.089 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 43' ' ' GLY . . . . . 0.529 ' HA3' HD13 ' A' ' 39' ' ' LEU . . . -54.64 -50.04 59.0 Favored Glycine 0 N--CA 1.452 -0.284 0 C-N-CA 121.27 -0.49 . . . . 0.0 113.558 -172.642 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -94.21 15.7 62.63 Favored Glycine 0 N--CA 1.449 -0.488 0 C-N-CA 120.608 -0.806 . . . . 0.0 112.81 -176.554 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 45' ' ' LEU . . . . . 0.419 HD12 HG22 ' A' ' 42' ' ' ILE . 93.7 mt -93.43 146.4 23.79 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 117.1 0.45 . . . . 0.0 110.191 179.731 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 46' ' ' GLU . . . . . 0.63 ' O ' HG13 ' A' ' 50' ' ' ILE . 35.2 mt-10 -68.35 136.46 53.41 Favored 'General case' 0 C--N 1.325 -0.481 0 N-CA-C 108.881 -0.785 . . . . 0.0 108.881 175.699 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 47' ' ' ILE . . . . . 0.42 HD13 ' HB2' ' A' ' 85' ' ' ALA . 15.1 tt -60.3 -23.22 27.18 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.701 0 CA-C-O 120.885 0.374 . . . . 0.0 111.696 -174.373 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 53.0 tt0 -94.96 -6.57 42.12 Favored 'General case' 0 CA--C 1.535 0.379 0 CA-C-O 121.24 0.543 . . . . 0.0 110.568 178.571 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 24.7 t70 -107.61 -11.68 15.4 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-O 121.18 0.514 . . . . 0.0 110.513 -177.515 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 50' ' ' ILE . . . . . 0.63 HG13 ' O ' ' A' ' 46' ' ' GLU . 85.9 mt -60.05 128.6 21.33 Favored 'Isoleucine or valine' 0 C--O 1.233 0.232 0 CA-C-N 115.588 -0.733 . . . . 0.0 111.432 -178.34 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 51' ' ' GLU . . . . . 0.421 ' HB2' ' CB ' ' A' ' 54' ' ' GLN . 4.0 mm-40 -72.24 130.03 86.79 Favored Pre-proline 0 C--N 1.323 -0.584 0 CA-C-N 115.265 -0.88 . . . . 0.0 109.97 178.969 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 52' ' ' PRO . . . . . . . . . . . . . 17.9 Cg_endo -60.17 -34.88 93.87 Favored 'Trans proline' 0 C--N 1.341 0.159 0 C-N-CA 122.475 2.117 . . . . 0.0 111.684 178.723 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 53' ' ' MET . . . . . . . . . . . . . 63.4 mtt -75.32 -22.66 57.49 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 115.814 -0.63 . . . . 0.0 110.37 179.39 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 54' ' ' GLN . . . . . 0.538 ' O ' ' HB3' ' A' ' 57' ' ' GLU . 39.9 tt0 -87.31 -25.07 24.09 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-O 121.248 0.546 . . . . 0.0 109.663 178.858 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 38.2 tp -66.35 -30.68 71.13 Favored 'General case' 0 C--N 1.324 -0.522 0 N-CA-C 108.4 -0.963 . . . . 0.0 108.4 169.256 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 3.0 tm? -68.92 -35.35 76.73 Favored 'General case' 0 C--O 1.224 -0.242 0 CA-C-N 115.416 -0.811 . . . . 0.0 109.414 173.022 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 57' ' ' GLU . . . . . 0.538 ' HB3' ' O ' ' A' ' 54' ' ' GLN . 8.7 tp10 -56.02 -35.63 67.05 Favored 'General case' 0 CA--C 1.535 0.383 0 CA-C-O 120.788 0.327 . . . . 0.0 110.196 175.206 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 58' ' ' VAL . . . . . 0.637 ' O ' ' HB3' ' A' ' 61' ' ' ARG . 72.1 t -64.26 -56.84 14.2 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.272 0 CA-C-O 121.394 0.616 . . . . 0.0 111.01 174.521 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 59' ' ' ILE . . . . . 0.564 HG23 ' HB1' ' A' ' 71' ' ' ALA . 1.7 mp -60.07 -39.86 81.62 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.652 0 CA-C-N 115.834 -0.621 . . . . 0.0 110.725 -179.022 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 51.5 ttp85 -73.22 -20.36 60.88 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-N 115.86 -0.609 . . . . 0.0 110.547 -179.796 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 61' ' ' ARG . . . . . 0.637 ' HB3' ' O ' ' A' ' 58' ' ' VAL . 24.3 tpt180 -62.95 -45.04 94.34 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 115.92 -0.582 . . . . 0.0 109.489 172.238 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 62' ' ' PHE . . . . . . . . . . . . . 98.6 m-85 -70.78 -31.9 68.84 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 115.747 -0.66 . . . . 0.0 110.639 175.565 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 36.1 tt0 -56.86 -40.05 75.43 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 115.803 -0.635 . . . . 0.0 111.056 178.819 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 22.5 t70 -56.5 -38.02 71.21 Favored 'General case' 0 N--CA 1.464 0.235 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.124 -179.937 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 67.2 mtm-85 -92.7 7.36 43.86 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.919 -177.692 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 72.85 15.71 78.16 Favored Glycine 0 N--CA 1.45 -0.419 0 C-N-CA 121.017 -0.611 . . . . 0.0 112.787 177.677 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 67' ' ' ALA . . . . . 0.595 ' HB1' ' HB2' ' A' ' 70' ' ' ARG . . . -84.13 79.19 9.6 Favored 'General case' 0 C--N 1.322 -0.604 0 CA-C-O 120.988 0.423 . . . . 0.0 110.334 -179.234 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 68' ' ' MET . . . . . 0.437 ' HA ' ' CE ' ' A' ' 68' ' ' MET . 14.5 mmt -70.08 -48.35 58.11 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-N 115.971 -0.558 . . . . 0.0 110.928 -176.016 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 42.3 mt-10 -63.41 -43.27 98.01 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 116.543 -0.299 . . . . 0.0 110.846 179.162 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 70' ' ' ARG . . . . . 0.595 ' HB2' ' HB1' ' A' ' 67' ' ' ALA . 58.4 mtt-85 -65.91 -36.68 84.07 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.593 -0.276 . . . . 0.0 111.074 179.448 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 71' ' ' ALA . . . . . 0.564 ' HB1' HG23 ' A' ' 59' ' ' ILE . . . -61.27 -47.95 83.65 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 121.138 0.494 . . . . 0.0 110.777 178.08 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 72' ' ' ASN . . . . . . . . . . . . . 58.2 m-80 -72.1 -30.69 65.33 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.862 179.576 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 28.3 ttpt -69.84 -33.1 71.84 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.315 -0.402 . . . . 0.0 109.977 176.614 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -62.13 -49.23 76.7 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.034 -0.53 . . . . 0.0 109.735 173.105 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 75' ' ' ARG . . . . . 0.403 ' HG3' ' CD1' ' A' ' 99' ' ' LEU . 6.5 ttm180 -56.38 -49.84 73.29 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-N 115.611 -0.722 . . . . 0.0 110.839 178.76 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 47.1 ttm-85 -58.76 -46.47 87.39 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 115.849 -0.614 . . . . 0.0 111.012 -176.708 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 77' ' ' ARG . . . . . 0.687 ' HE ' HD11 ' A' ' 30' ' ' LEU . 46.5 mtt85 -72.65 -37.87 67.86 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 116.054 -0.521 . . . . 0.0 111.628 -177.792 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 78' ' ' CYS . . . . . . . . . . . . . 82.6 m -60.44 -44.6 95.65 Favored 'General case' 0 C--N 1.327 -0.41 0 N-CA-C 109.328 -0.619 . . . . 0.0 109.328 173.376 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . -58.5 -35.48 80.22 Favored Glycine 0 N--CA 1.447 -0.591 0 CA-C-N 115.798 -0.637 . . . . 0.0 112.444 176.925 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 41.4 tt0 -69.12 -37.5 78.38 Favored 'General case' 0 C--N 1.332 -0.174 0 N-CA-C 109.993 -0.373 . . . . 0.0 109.993 177.886 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 81' ' ' VAL . . . . . 0.49 HG23 ' O ' ' A' ' 77' ' ' ARG . 68.8 t -64.23 -44.35 97.41 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.176 -0.465 . . . . 0.0 109.968 175.159 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 82' ' ' PHE . . . . . 0.485 ' HB3' ' HB3' ' A' ' 94' ' ' ASN . 45.9 m-85 -58.43 -46.48 86.41 Favored 'General case' 0 N--CA 1.462 0.143 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.366 174.334 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 83' ' ' ARG . . . . . 0.519 ' O ' HG23 ' A' ' 87' ' ' VAL . 37.3 ttt180 -56.19 -50.11 72.14 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 115.802 -0.636 . . . . 0.0 110.474 177.28 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 84' ' ' TYR . . . . . . . . . . . . . 53.1 t80 -61.16 -37.41 82.78 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 115.825 -0.625 . . . . 0.0 110.709 -179.393 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 85' ' ' ALA . . . . . 0.473 ' HA ' HG22 ' A' ' 88' ' ' THR . . . -65.16 -36.35 83.94 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.294 -0.412 . . . . 0.0 111.06 177.708 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 86' ' ' ILE . . . . . 0.477 HG13 ' O ' ' A' ' 82' ' ' PHE . 76.4 mt -68.71 -34.87 67.17 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 CA-C-O 121.018 0.437 . . . . 0.0 110.155 177.131 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 87' ' ' VAL . . . . . 0.519 HG23 ' O ' ' A' ' 83' ' ' ARG . 76.4 t -68.19 -44.64 84.03 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.399 0 CA-C-N 116.065 -0.516 . . . . 0.0 110.925 178.403 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 88' ' ' THR . . . . . 0.484 HG23 ' HG3' ' A' ' 90' ' ' ARG . 9.8 t -78.98 -11.68 60.01 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.819 0.342 . . . . 0.0 111.139 -179.97 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . 88.8 19.33 51.91 Favored Glycine 0 N--CA 1.451 -0.36 0 C-N-CA 120.758 -0.734 . . . . 0.0 113.77 174.157 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 90' ' ' ARG . . . . . 0.484 ' HG3' HG23 ' A' ' 88' ' ' THR . 74.3 mtt180 -88.91 -18.17 28.07 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-N 117.152 0.476 . . . . 0.0 110.287 178.813 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . -137.61 158.07 45.17 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 115.862 -0.608 . . . . 0.0 109.829 177.497 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 88.1 tttt -106.18 -50.17 3.21 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-O 121.036 0.445 . . . . 0.0 110.504 -179.987 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 93' ' ' TYR . . . . . . . . . . . . . 0.0 OUTLIER -127.2 143.18 51.31 Favored 'General case' 0 C--N 1.323 -0.568 0 CA-C-N 115.905 -0.589 . . . . 0.0 109.93 -178.961 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 94' ' ' ASN . . . . . 0.485 ' HB3' ' HB3' ' A' ' 82' ' ' PHE . 17.6 p-10 -102.22 125.11 37.46 Favored Pre-proline 0 C--N 1.323 -0.57 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.159 179.516 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 95' ' ' PRO . . . . . . . . . . . . . 57.9 Cg_endo -71.9 36.02 0.31 Allowed 'Trans proline' 0 CA--C 1.532 0.394 0 C-N-CA 123.128 2.552 . . . . 0.0 113.085 -178.946 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 96' ' ' ALA . . . . . 0.535 ' N ' ' HD2' ' A' ' 97' ' ' PRO . . . -70.56 -48.1 17.31 Favored Pre-proline 0 CA--C 1.537 0.463 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.576 179.961 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 97' ' ' PRO . . . . . 0.535 ' HD2' ' N ' ' A' ' 96' ' ' ALA . 19.5 Cg_endo -60.03 -38.93 74.61 Favored 'Trans proline' 0 C--N 1.357 1.014 0 C-N-CA 121.779 1.652 . . . . 0.0 111.637 174.903 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 6.6 m-20 -66.42 -37.8 86.0 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 115.756 -0.657 . . . . 0.0 110.474 177.64 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 99' ' ' LEU . . . . . 0.409 ' C ' HD13 ' A' ' 99' ' ' LEU . 2.6 tm? -58.83 -50.06 75.37 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.011 -0.54 . . . . 0.0 110.024 175.823 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 100' ' ' ALA . . . . . 0.464 ' O ' ' HG3' ' A' ' 104' ' ' LYS . . . -62.18 -44.66 96.09 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.077 -0.511 . . . . 0.0 110.815 -179.315 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 38.3 t70 -65.25 -40.78 94.45 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.033 -0.53 . . . . 0.0 111.036 -179.235 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -64.93 -42.76 94.4 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 115.946 -0.57 . . . . 0.0 110.456 177.939 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 103' ' ' MET . . . . . . . . . . . . . 44.0 ttm -53.23 -38.26 62.79 Favored 'General case' 0 C--N 1.331 -0.2 0 CA-C-O 121.108 0.48 . . . . 0.0 110.65 177.579 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 104' ' ' LYS . . . . . 0.464 ' HG3' ' O ' ' A' ' 100' ' ' ALA . 84.6 mttt . . . . . 0 C--N 1.322 -0.623 0 CA-C-N 115.851 -0.613 . . . . 0.0 111.026 179.576 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 17.1 m . . . . . 0 N--CA 1.478 0.931 0 CA-C-O 120.772 0.32 . . . . 0.0 110.256 . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 9.4 p -75.91 -52.95 9.21 Favored 'General case' 0 C--N 1.322 -0.615 0 CA-C-N 116.118 -0.492 . . . . 0.0 111.243 -176.738 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 3' ' ' ASN . . . . . . . . . . . . . 92.0 m-20 -122.62 -174.87 3.02 Favored 'General case' 0 C--N 1.323 -0.553 0 CA-C-N 115.815 -0.63 . . . . 0.0 110.567 -175.65 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 4' ' ' ASN . . . . . . . . . . . . . 28.6 t-20 -77.47 -15.43 59.31 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-O 121.504 0.669 . . . . 0.0 109.687 175.637 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 7.0 m-20 -89.23 7.78 33.62 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 115.512 -0.767 . . . . 0.0 111.393 177.952 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 6' ' ' SER . . . . . 0.583 ' HA ' ' HA ' ' A' ' 46' ' ' GLU . 73.4 m -69.21 143.91 53.86 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 120.579 0.228 . . . . 0.0 110.49 177.732 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 7' ' ' PHE . . . . . . . . . . . . . 25.0 t80 -58.44 -48.3 81.17 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.014 -0.539 . . . . 0.0 111.453 -173.26 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 53.9 m -54.38 -40.59 68.32 Favored 'General case' 0 N--CA 1.465 0.275 0 N-CA-C 111.905 0.335 . . . . 0.0 111.905 179.887 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -62.53 -50.66 70.46 Favored 'General case' 0 C--O 1.236 0.346 0 CA-C-O 121.078 0.466 . . . . 0.0 110.784 -178.586 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 41.0 mt -68.49 -36.91 76.77 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.441 0 CA-C-N 115.752 -0.658 . . . . 0.0 110.286 -179.428 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 88.5 t80 -60.05 -42.29 94.14 Favored 'General case' 0 C--O 1.221 -0.429 0 CA-C-N 115.689 -0.687 . . . . 0.0 110.467 178.103 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 83.4 tttt -62.6 -43.65 98.27 Favored 'General case' 0 C--N 1.328 -0.327 0 C-N-CA 121.233 -0.187 . . . . 0.0 110.937 -179.826 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 95.7 mt-10 -60.29 -48.25 82.54 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-O 121.307 0.575 . . . . 0.0 110.42 178.419 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 14' ' ' TRP . . . . . 0.445 ' CH2' ' HH2' ' A' ' 22' ' ' TRP . 63.2 t90 -64.24 -42.51 96.49 Favored 'General case' 0 C--N 1.323 -0.571 0 CA-C-N 115.524 -0.762 . . . . 0.0 110.763 178.029 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 15' ' ' TYR . . . . . . . . . . . . . 16.9 t80 -60.02 -51.77 68.23 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 115.918 -0.583 . . . . 0.0 111.564 179.769 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 16' ' ' GLU . . . . . 0.433 ' HA ' ' HE2' ' A' ' 19' ' ' LYS . 28.6 mt-10 -68.23 -22.76 64.76 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-O 120.893 0.378 . . . . 0.0 111.181 -177.844 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 17' ' ' HIS . . . . . . . . . . . . . 30.3 t-80 -73.57 -48.38 33.32 Favored 'General case' 0 C--N 1.323 -0.544 0 N-CA-C 109.233 -0.655 . . . . 0.0 109.233 175.148 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 40.8 mmtm -70.85 -18.04 62.72 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 115.661 -0.7 . . . . 0.0 111.379 179.087 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 19' ' ' LYS . . . . . 0.433 ' HE2' ' HA ' ' A' ' 16' ' ' GLU . 36.4 ttpt -62.14 -21.68 65.24 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-O 121.184 0.516 . . . . 0.0 110.825 178.756 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 81.8 mt-30 -90.26 1.86 56.05 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.659 178.985 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 61.1 t -110.81 -49.49 6.5 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 CA-C-N 116.013 -0.54 . . . . 0.0 110.22 179.048 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 22' ' ' TRP . . . . . 0.445 ' HH2' ' CH2' ' A' ' 14' ' ' TRP . 14.4 m0 -81.27 171.5 14.75 Favored 'General case' 0 C--N 1.323 -0.551 0 CA-C-N 115.788 -0.642 . . . . 0.0 110.718 179.742 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 24.4 m -73.65 142.56 46.47 Favored 'General case' 0 C--N 1.322 -0.605 0 CA-C-N 115.872 -0.604 . . . . 0.0 109.611 172.873 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 13.9 p -55.18 -44.52 75.16 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.433 0 N-CA-C 111.901 0.334 . . . . 0.0 111.901 -175.924 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -65.75 -39.51 95.27 Favored Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.683 -0.77 . . . . 0.0 111.737 -179.532 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 26' ' ' TYR . . . . . . . . . . . . . 94.5 t80 -65.37 -47.28 76.95 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 115.505 -0.347 . . . . 0.0 110.344 177.422 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -59.96 -47.01 87.54 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.099 -0.501 . . . . 0.0 111.426 -178.175 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 49.3 m -56.74 -51.24 69.61 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 116.513 -0.312 . . . . 0.0 111.616 -179.972 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 37.7 mt-10 -78.05 -22.71 48.72 Favored 'General case' 0 C--N 1.327 -0.382 0 C-N-CA 120.848 -0.341 . . . . 0.0 111.58 -176.25 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 5.8 tt -62.79 -46.92 85.76 Favored 'General case' 0 C--N 1.331 -0.235 0 N-CA-C 109.52 -0.548 . . . . 0.0 109.52 172.214 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -65.93 -40.6 91.56 Favored 'General case' 0 N--CA 1.448 -0.543 0 CA-C-N 115.671 -0.695 . . . . 0.0 110.014 176.37 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 87.4 tttt -57.59 -46.36 84.12 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.173 -0.467 . . . . 0.0 112.123 -178.37 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 33' ' ' MET . . . . . . . . . . . . . 4.9 ppp? -72.64 -32.04 65.57 Favored 'General case' 0 N--CA 1.465 0.304 0 CA-C-O 120.811 0.339 . . . . 0.0 110.851 179.95 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 34' ' ' PHE . . . . . 0.72 ' HD2' HH21 ' A' ' 77' ' ' ARG . 36.5 t80 -66.75 -49.89 64.49 Favored 'General case' 0 C--N 1.328 -0.37 0 N-CA-C 109.175 -0.676 . . . . 0.0 109.175 175.605 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 35' ' ' ASP . . . . . 0.765 ' HA ' HD23 ' A' ' 39' ' ' LEU . 9.3 m-20 -58.79 -42.58 89.36 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.343 -0.389 . . . . 0.0 110.951 177.296 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 23.4 t70 -61.8 -40.92 96.92 Favored 'General case' 0 C--N 1.324 -0.521 0 N-CA-C 111.985 0.365 . . . . 0.0 111.985 -174.118 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 37' ' ' ASP . . . . . 0.517 ' HB3' ' HG2' ' A' ' 61' ' ' ARG . 41.5 m-20 -101.37 -39.91 7.35 Favored 'General case' 0 C--N 1.327 -0.402 0 N-CA-C 112.473 0.546 . . . . 0.0 112.473 -175.934 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 38' ' ' ILE . . . . . 0.563 ' HB ' ' O ' ' A' ' 34' ' ' PHE . 2.0 mp -74.48 -41.99 49.37 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.365 0 N-CA-C 111.861 0.319 . . . . 0.0 111.861 -175.88 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 39' ' ' LEU . . . . . 0.765 HD23 ' HA ' ' A' ' 35' ' ' ASP . 1.3 mm? -56.54 -49.08 95.63 Favored Pre-proline 0 N--CA 1.467 0.413 0 N-CA-C 112.771 0.656 . . . . 0.0 112.771 -175.02 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 48.2 Cg_exo -58.69 -19.0 43.69 Favored 'Trans proline' 0 C--N 1.353 0.792 0 C-N-CA 122.1 1.867 . . . . 0.0 112.825 176.261 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 41' ' ' ILE . . . . . 0.685 HG22 HG23 ' A' ' 42' ' ' ILE . 41.1 mm -98.75 -60.49 2.72 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 N-CA-C 111.672 0.249 . . . . 0.0 111.672 -176.61 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 42' ' ' ILE . . . . . 0.685 HG23 HG22 ' A' ' 41' ' ' ILE . 4.6 pt -135.58 7.49 1.0 Allowed 'Isoleucine or valine' 0 N--CA 1.467 0.385 0 N-CA-C 113.101 0.778 . . . . 0.0 113.101 -173.291 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 43' ' ' GLY . . . . . 0.59 ' HA3' ' HA ' ' A' ' 39' ' ' LEU . . . -57.86 -49.85 70.93 Favored Glycine 0 CA--C 1.516 0.141 0 C-N-CA 120.356 -0.926 . . . . 0.0 113.412 -172.299 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -85.48 5.97 81.66 Favored Glycine 0 N--CA 1.445 -0.707 0 C-N-CA 120.613 -0.803 . . . . 0.0 112.807 -175.9 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 86.9 mt -87.1 165.52 15.7 Favored 'General case' 0 N--CA 1.45 -0.443 0 CA-C-O 120.869 0.366 . . . . 0.0 110.267 179.804 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 46' ' ' GLU . . . . . 0.597 ' O ' HG13 ' A' ' 50' ' ' ILE . 44.7 mt-10 -83.34 137.6 33.89 Favored 'General case' 0 C--N 1.32 -0.677 0 N-CA-C 109.632 -0.507 . . . . 0.0 109.632 175.43 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 47' ' ' ILE . . . . . 0.431 HD13 ' HB2' ' A' ' 85' ' ' ALA . 15.1 tt -61.49 -23.49 30.82 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.534 0 CA-C-O 121.107 0.48 . . . . 0.0 111.302 -174.461 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 42.9 tt0 -91.45 -12.73 33.83 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.5 179.204 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 49' ' ' ASP . . . . . 0.449 ' HB2' ' HB2' ' A' ' 46' ' ' GLU . 0.5 OUTLIER -114.95 18.62 16.31 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 115.882 -0.599 . . . . 0.0 110.661 -170.735 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 50' ' ' ILE . . . . . 0.597 HG13 ' O ' ' A' ' 46' ' ' GLU . 85.0 mt -85.38 130.45 36.21 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 CA-C-N 115.946 -0.57 . . . . 0.0 110.703 179.874 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 40.4 mt-10 -74.52 142.75 78.16 Favored Pre-proline 0 C--N 1.325 -0.465 0 CA-C-N 115.967 -0.56 . . . . 0.0 110.574 -179.742 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 52' ' ' PRO . . . . . 0.71 ' HB3' ' HB3' ' A' ' 98' ' ' ASP . 9.3 Cg_endo -53.96 -41.86 71.58 Favored 'Trans proline' 0 C--N 1.345 0.356 0 C-N-CA 123.007 2.471 . . . . 0.0 112.471 179.164 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 53' ' ' MET . . . . . . . . . . . . . 64.0 mtt -72.47 -23.96 61.12 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.36 -0.382 . . . . 0.0 111.271 -178.354 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 59.9 mt-30 -74.25 -38.75 63.38 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 120.856 0.36 . . . . 0.0 110.832 178.875 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 55' ' ' LEU . . . . . 0.555 HD23 ' HB2' ' A' ' 99' ' ' LEU . 22.7 tp -65.89 -35.73 81.44 Favored 'General case' 0 C--N 1.322 -0.604 0 N-CA-C 109.096 -0.705 . . . . 0.0 109.096 175.6 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 2.6 tm? -70.06 -30.15 67.34 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 115.534 -0.757 . . . . 0.0 109.934 175.912 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 57' ' ' GLU . . . . . 0.421 ' HA ' ' HB2' ' A' ' 60' ' ' ARG . 34.9 tt0 -67.24 -31.45 71.82 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-O 120.793 0.33 . . . . 0.0 110.196 177.931 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 58' ' ' VAL . . . . . 0.464 ' O ' ' HB3' ' A' ' 61' ' ' ARG . 97.6 t -63.67 -49.72 81.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-O 121.409 0.623 . . . . 0.0 109.985 173.006 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 59' ' ' ILE . . . . . . . . . . . . . 1.8 mp -61.22 -39.17 81.63 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.408 0 CA-C-N 115.648 -0.706 . . . . 0.0 110.015 176.112 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 60' ' ' ARG . . . . . 0.421 ' HB2' ' HA ' ' A' ' 57' ' ' GLU . 0.1 OUTLIER -56.82 -45.98 81.95 Favored 'General case' 0 C--O 1.231 0.129 0 CA-C-N 115.968 -0.56 . . . . 0.0 110.107 176.562 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 61' ' ' ARG . . . . . 0.517 ' HG2' ' HB3' ' A' ' 37' ' ' ASP . 10.3 tpt180 -51.55 -49.2 62.47 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 114.625 -1.171 . . . . 0.0 111.419 179.472 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 62' ' ' PHE . . . . . . . . . . . . . 87.7 m-85 -78.01 -43.66 28.83 Favored 'General case' 0 C--N 1.328 -0.367 0 N-CA-C 112.039 0.385 . . . . 0.0 112.039 -178.735 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 63' ' ' GLU . . . . . 0.516 ' HG3' ' CE ' ' A' ' 68' ' ' MET . 47.9 tt0 -62.19 -40.19 95.23 Favored 'General case' 0 N--CA 1.463 0.215 0 N-CA-C 111.692 0.256 . . . . 0.0 111.692 -174.816 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 35.5 t70 -65.05 -23.66 67.25 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.797 0.332 . . . . 0.0 111.165 -176.301 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 65' ' ' ARG . . . . . 0.402 HH11 ' HD3' ' A' ' 65' ' ' ARG . 44.1 mtm-85 -84.96 -9.1 58.41 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.742 0.306 . . . . 0.0 110.525 177.589 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 99.33 -4.39 58.46 Favored Glycine 0 N--CA 1.448 -0.544 0 C-N-CA 120.651 -0.785 . . . . 0.0 111.882 179.429 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 67' ' ' ALA . . . . . 0.544 ' HB1' ' HB2' ' A' ' 70' ' ' ARG . . . -78.55 81.51 4.87 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-O 121.141 0.496 . . . . 0.0 110.406 -179.487 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 68' ' ' MET . . . . . 0.567 ' HA ' ' CE ' ' A' ' 68' ' ' MET . 0.1 OUTLIER -70.71 -46.18 63.56 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-N 115.857 -0.611 . . . . 0.0 110.593 -176.024 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 38.2 mt-10 -62.7 -41.23 99.02 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 115.836 -0.62 . . . . 0.0 110.215 179.537 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 70' ' ' ARG . . . . . 0.544 ' HB2' ' HB1' ' A' ' 67' ' ' ALA . 90.0 mtt180 -72.83 -33.47 66.19 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 115.867 -0.606 . . . . 0.0 111.17 -177.496 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -63.58 -45.75 89.01 Favored 'General case' 0 C--O 1.233 0.226 0 CA-C-O 121.17 0.51 . . . . 0.0 110.111 175.173 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 72' ' ' ASN . . . . . 0.43 ' O ' ' HG3' ' A' ' 76' ' ' ARG . 31.9 m-80 -68.22 -33.43 74.39 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 115.656 -0.702 . . . . 0.0 110.367 176.935 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 3.3 tppp? -68.75 -33.67 74.3 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.159 -0.473 . . . . 0.0 109.995 179.317 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -61.6 -54.54 41.63 Favored 'General case' 0 N--CA 1.452 -0.342 0 N-CA-C 109.537 -0.542 . . . . 0.0 109.537 174.296 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 40.3 ttt180 -53.41 -43.81 68.24 Favored 'General case' 0 CA--C 1.532 0.255 0 CA-C-N 116.055 -0.52 . . . . 0.0 110.8 176.214 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 76' ' ' ARG . . . . . 0.43 ' HG3' ' O ' ' A' ' 72' ' ' ASN . 89.8 mtt-85 -56.07 -57.87 10.32 Favored 'General case' 0 CA--C 1.521 -0.167 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.376 178.268 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 77' ' ' ARG . . . . . 0.72 HH21 ' HD2' ' A' ' 34' ' ' PHE . 20.9 mtm180 -70.48 -33.3 71.09 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 116.286 -0.415 . . . . 0.0 111.373 -173.527 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 78' ' ' CYS . . . . . . . . . . . . . 90.0 m -61.42 -50.15 74.0 Favored 'General case' 0 C--N 1.326 -0.449 0 N-CA-C 110.022 -0.362 . . . . 0.0 110.022 174.903 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . -61.71 -33.77 86.27 Favored Glycine 0 C--N 1.332 0.35 0 C-N-CA 121.015 -0.612 . . . . 0.0 111.853 176.606 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 40.0 tp10 -63.17 -41.54 99.25 Favored 'General case' 0 C--N 1.324 -0.512 0 C-N-CA 122.755 0.422 . . . . 0.0 110.768 175.647 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 81' ' ' VAL . . . . . 0.522 HG23 ' O ' ' A' ' 77' ' ' ARG . 93.4 t -70.67 -39.84 76.29 Favored 'Isoleucine or valine' 0 CA--C 1.53 0.202 0 CA-C-N 116.538 -0.301 . . . . 0.0 110.423 176.456 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 82' ' ' PHE . . . . . 0.4 ' O ' HG13 ' A' ' 86' ' ' ILE . 37.6 m-85 -56.23 -44.13 79.3 Favored 'General case' 0 N--CA 1.462 0.13 0 CA-C-O 120.973 0.416 . . . . 0.0 110.229 174.384 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 83' ' ' ARG . . . . . 0.476 ' O ' HG23 ' A' ' 87' ' ' VAL . 9.6 tpt180 -59.78 -44.24 93.99 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 115.839 -0.619 . . . . 0.0 110.394 177.299 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 84' ' ' TYR . . . . . . . . . . . . . 12.9 t80 -62.19 -38.33 88.71 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 115.675 -0.693 . . . . 0.0 110.368 -178.622 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 85' ' ' ALA . . . . . 0.495 ' HA ' HG22 ' A' ' 88' ' ' THR . . . -67.85 -32.52 73.11 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.016 -0.538 . . . . 0.0 111.478 179.476 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 86' ' ' ILE . . . . . 0.4 HG13 ' O ' ' A' ' 82' ' ' PHE . 76.2 mt -71.77 -35.38 55.02 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.411 0 CA-C-O 120.998 0.428 . . . . 0.0 110.367 177.575 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 87' ' ' VAL . . . . . 0.476 HG23 ' O ' ' A' ' 83' ' ' ARG . 93.0 t -70.78 -40.5 76.83 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.38 0 CA-C-N 115.963 -0.562 . . . . 0.0 111.15 179.683 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 88' ' ' THR . . . . . 0.495 HG22 ' HA ' ' A' ' 85' ' ' ALA . 12.8 t -79.14 -7.77 58.46 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-N 116.502 -0.317 . . . . 0.0 110.924 -179.45 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . 78.7 40.8 16.92 Favored Glycine 0 N--CA 1.452 -0.286 0 C-N-CA 120.829 -0.7 . . . . 0.0 113.091 177.3 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 90' ' ' ARG . . . . . 0.453 ' HD2' HH11 ' A' ' 90' ' ' ARG . 57.8 mtt180 -103.37 -38.1 7.35 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-O 121.136 0.493 . . . . 0.0 110.322 176.028 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . -125.83 136.91 53.63 Favored 'General case' 0 C--N 1.323 -0.578 0 CA-C-N 115.76 -0.655 . . . . 0.0 110.173 -179.981 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 57.6 tttm -94.92 -35.67 11.92 Favored 'General case' 0 C--N 1.323 -0.582 0 N-CA-C 109.212 -0.662 . . . . 0.0 109.212 177.075 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 93' ' ' TYR . . . . . . . . . . . . . 80.2 t80 -125.21 136.73 53.86 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 115.226 -0.897 . . . . 0.0 110.064 178.315 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 94' ' ' ASN . . . . . . . . . . . . . 26.6 p-10 -118.9 137.2 24.77 Favored Pre-proline 0 C--N 1.32 -0.674 0 CA-C-N 115.818 -0.628 . . . . 0.0 110.034 177.873 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 95' ' ' PRO . . . . . . . . . . . . . 60.3 Cg_endo -75.6 32.73 0.38 Allowed 'Trans proline' 0 CA--C 1.532 0.383 0 C-N-CA 122.867 2.378 . . . . 0.0 113.089 -178.468 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 96' ' ' ALA . . . . . 0.54 ' N ' ' HD2' ' A' ' 97' ' ' PRO . . . -65.4 -46.25 70.1 Favored Pre-proline 0 CA--C 1.539 0.549 0 CA-C-N 116.381 -0.372 . . . . 0.0 111.511 178.014 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 97' ' ' PRO . . . . . 0.54 ' HD2' ' N ' ' A' ' 96' ' ' ALA . 20.5 Cg_endo -62.35 -33.5 79.91 Favored 'Trans proline' 0 C--N 1.356 0.952 0 C-N-CA 121.941 1.761 . . . . 0.0 112.092 173.093 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 98' ' ' ASP . . . . . 0.71 ' HB3' ' HB3' ' A' ' 52' ' ' PRO . 44.3 m-20 -66.56 -33.2 75.14 Favored 'General case' 0 C--N 1.332 -0.182 0 CA-C-N 116.076 -0.511 . . . . 0.0 110.398 179.688 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 99' ' ' LEU . . . . . 0.555 ' HB2' HD23 ' A' ' 55' ' ' LEU . 3.2 tm? -56.07 -46.41 78.99 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 115.774 -0.648 . . . . 0.0 109.849 175.041 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 100' ' ' ALA . . . . . . . . . . . . . . . -65.17 -40.75 94.71 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 115.902 -0.59 . . . . 0.0 110.657 -179.652 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 23.6 t70 -66.72 -40.35 88.37 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 116.052 -0.522 . . . . 0.0 110.858 -179.712 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -67.08 -41.78 85.78 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.972 179.036 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 103' ' ' MET . . . . . . . . . . . . . 51.3 ttm -65.09 -37.22 86.81 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-O 121.104 0.478 . . . . 0.0 110.35 178.748 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 104' ' ' LYS . . . . . 0.479 ' HE2' ' HB3' ' A' ' 104' ' ' LYS . 25.7 ttpt -69.9 -45.77 66.86 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-N 115.543 -0.753 . . . . 0.0 111.2 177.783 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 105' ' ' GLY . . . . . . . . . . . . . . . -76.39 -13.13 83.68 Favored Glycine 0 N--CA 1.451 -0.358 0 CA-C-N 115.679 -0.691 . . . . 0.0 112.891 -176.699 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 106' ' ' TYR . . . . . . . . . . . . . 88.0 t80 -64.61 -21.55 66.74 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.877 0.37 . . . . 0.0 110.933 -179.611 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 107' ' ' ARG . . . . . . . . . . . . . 50.4 mtm180 -71.65 -0.55 11.09 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-O 120.814 0.34 . . . . 0.0 111.468 178.975 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 108' ' ' LYS . . . . . . . . . . . . . 63.4 mttp -92.68 -8.27 44.44 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-O 120.947 0.403 . . . . 0.0 110.316 174.204 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 109' ' ' LYS . . . . . . . . . . . . . 88.0 tttt -100.96 -50.76 3.73 Favored 'General case' 0 C--N 1.329 -0.311 0 N-CA-C 109.137 -0.69 . . . . 0.0 109.137 172.865 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 110' ' ' ASN . . . . . . . . . . . . . 6.0 m-20 -83.62 88.79 7.05 Favored 'General case' 0 C--N 1.326 -0.428 0 N-CA-C 109.134 -0.691 . . . . 0.0 109.134 172.853 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 111' ' ' LEU . . . . . . . . . . . . . 74.9 mt -70.42 164.88 23.68 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-N 115.447 -0.797 . . . . 0.0 112.388 -172.35 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 112' ' ' GLU . . . . . . . . . . . . . 28.1 mt-10 -89.43 -173.15 3.88 Favored 'General case' 0 C--N 1.322 -0.593 0 CA-C-N 114.99 -1.004 . . . . 0.0 109.476 177.56 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 113' ' ' HIS . . . . . . . . . . . . . 80.1 m80 -104.85 -22.34 13.19 Favored 'General case' 0 C--N 1.322 -0.613 0 CA-C-O 121.643 0.735 . . . . 0.0 109.436 176.131 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 114' ' ' HIS . . . . . . . . . . . . . 22.8 m80 -141.02 147.22 38.33 Favored 'General case' 0 C--N 1.323 -0.552 0 CA-C-N 114.723 -1.126 . . . . 0.0 108.272 170.206 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 115' ' ' HIS . . . . . . . . . . . . . 14.1 m-70 -105.62 175.95 5.33 Favored 'General case' 0 C--N 1.318 -0.786 0 CA-C-O 121.441 0.639 . . . . 0.0 111.51 -176.012 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 116' ' ' HIS . . . . . . . . . . . . . 17.5 m-70 -96.62 -2.66 44.34 Favored 'General case' 0 C--N 1.322 -0.603 0 CA-C-N 115.226 -0.897 . . . . 0.0 109.718 -175.832 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 117' ' ' HIS . . . . . . . . . . . . . 56.5 m170 -121.67 169.72 10.44 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 115.513 -0.767 . . . . 0.0 109.678 178.102 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 118' ' ' HIS . . . . . . . . . . . . . 36.4 m-70 . . . . . 0 C--O 1.25 1.115 0 CA-C-O 118.733 -0.651 . . . . 0.0 110.199 177.774 . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 1' ' ' SER . . . . . 0.536 ' HB3' ' OD1' ' A' ' 3' ' ' ASN . 20.6 m . . . . . 0 N--CA 1.476 0.835 0 CA-C-O 120.812 0.339 . . . . 0.0 111.186 . . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 20.3 m -100.49 -35.69 9.46 Favored 'General case' 0 C--N 1.324 -0.511 0 N-CA-C 109.433 -0.58 . . . . 0.0 109.433 173.027 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 3' ' ' ASN . . . . . 0.536 ' OD1' ' HB3' ' A' ' 1' ' ' SER . 4.3 m-20 63.67 26.74 14.65 Favored 'General case' 0 N--CA 1.469 0.476 0 CA-C-N 115.458 -0.792 . . . . 0.0 111.584 174.674 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 4' ' ' ASN . . . . . . . . . . . . . 34.7 p30 -83.53 9.1 12.12 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-O 120.812 0.339 . . . . 0.0 111.162 -178.978 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 6.4 m-20 -96.36 -4.19 42.41 Favored 'General case' 0 C--N 1.329 -0.29 0 N-CA-C 109.533 -0.543 . . . . 0.0 109.533 175.033 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 6' ' ' SER . . . . . 0.572 ' HA ' ' HA ' ' A' ' 46' ' ' GLU . 5.7 m -75.64 143.41 42.26 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 115.641 -0.709 . . . . 0.0 110.427 -179.187 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 7' ' ' PHE . . . . . . . . . . . . . 42.6 t80 -63.43 -43.2 98.14 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.601 -0.272 . . . . 0.0 110.612 -177.041 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 9.7 p -53.53 -47.67 69.75 Favored 'General case' 0 C--O 1.237 0.426 0 CA-C-O 120.851 0.358 . . . . 0.0 111.527 178.145 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -63.95 -49.55 72.11 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 115.913 -0.585 . . . . 0.0 111.456 -178.186 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 10' ' ' ILE . . . . . 0.523 HG21 ' HB2' ' A' ' 85' ' ' ALA . 69.2 mt -66.07 -40.25 86.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.764 -178.2 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 9.5 t80 -58.74 -48.66 80.41 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.139 177.483 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 20.6 tptm -61.84 -39.26 91.19 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 120.628 0.251 . . . . 0.0 110.704 -178.003 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 28.2 tt0 -67.91 -50.05 58.42 Favored 'General case' 0 C--N 1.326 -0.416 0 N-CA-C 109.997 -0.371 . . . . 0.0 109.997 178.689 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 14' ' ' TRP . . . . . . . . . . . . . 51.3 t90 -51.84 -47.61 64.3 Favored 'General case' 0 C--O 1.235 0.312 0 CA-C-N 115.811 -0.631 . . . . 0.0 110.816 178.085 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 15' ' ' TYR . . . . . 0.503 ' O ' ' HB2' ' A' ' 19' ' ' LYS . 25.9 t80 -57.82 -49.22 77.37 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 115.817 -0.629 . . . . 0.0 111.23 178.943 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 61.9 mm-40 -66.17 -26.67 67.52 Favored 'General case' 0 C--N 1.328 -0.369 0 N-CA-C 112.034 0.383 . . . . 0.0 112.034 -176.329 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 17' ' ' HIS . . . . . . . . . . . . . 57.8 m80 -75.25 -54.13 7.62 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-O 120.999 0.428 . . . . 0.0 110.455 175.813 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 35.0 tptt -73.66 -9.51 58.74 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 121.197 0.522 . . . . 0.0 110.206 -176.88 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 19' ' ' LYS . . . . . 0.503 ' HB2' ' O ' ' A' ' 15' ' ' TYR . 55.8 tttt -57.55 -28.57 63.64 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 115.151 -0.932 . . . . 0.0 110.677 177.42 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 95.6 mt-30 -77.51 -17.91 57.53 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 115.786 -0.643 . . . . 0.0 111.056 -178.224 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 65.9 t -89.7 -47.99 14.65 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.776 -177.869 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 22' ' ' TRP . . . . . . . . . . . . . 19.7 m0 -81.86 154.26 25.95 Favored 'General case' 0 C--N 1.321 -0.656 0 CA-C-N 116.059 -0.519 . . . . 0.0 110.268 -178.224 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 23.0 p -65.31 138.25 58.06 Favored 'General case' 0 C--N 1.323 -0.58 0 N-CA-C 109.377 -0.601 . . . . 0.0 109.377 174.43 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 10.7 p -54.07 -38.08 36.9 Favored 'Isoleucine or valine' 0 CA--C 1.529 0.164 0 N-CA-C 111.712 0.264 . . . . 0.0 111.712 -173.88 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -60.88 -48.58 85.53 Favored Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.583 -0.817 . . . . 0.0 112.125 -179.995 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 26' ' ' TYR . . . . . . . . . . . . . 55.6 t80 -72.79 -36.48 67.6 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-O 120.539 0.209 . . . . 0.0 110.622 179.569 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -59.1 -47.11 86.47 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.392 -0.367 . . . . 0.0 110.726 179.038 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 25.6 m -59.61 -44.6 93.36 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-O 120.879 0.371 . . . . 0.0 110.68 177.136 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 35.1 tt0 -66.19 -47.69 73.11 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.408 -178.179 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 9.8 tt -58.56 -44.26 89.65 Favored 'General case' 0 C--O 1.235 0.305 0 N-CA-C 110.032 -0.359 . . . . 0.0 110.032 179.1 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 31' ' ' ALA . . . . . 0.416 ' HB2' ' CE1' ' A' ' 15' ' ' TYR . . . -66.16 -48.06 71.99 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 115.733 -0.667 . . . . 0.0 111.083 179.935 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 49.7 tttm -64.95 -36.8 85.55 Favored 'General case' 0 C--N 1.324 -0.529 0 C-N-CA 120.984 -0.286 . . . . 0.0 110.873 -177.26 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 33' ' ' MET . . . . . . . . . . . . . 58.6 ttp -63.59 -44.0 95.31 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 121.321 0.582 . . . . 0.0 109.825 175.828 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 34' ' ' PHE . . . . . 0.433 ' CD2' HD12 ' A' ' 38' ' ' ILE . 10.7 t80 -62.41 -49.61 74.82 Favored 'General case' 0 C--O 1.221 -0.442 0 CA-C-N 115.403 -0.817 . . . . 0.0 109.606 177.957 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 35' ' ' ASP . . . . . 0.561 ' HA ' ' HB2' ' A' ' 39' ' ' LEU . 13.4 t70 -66.38 -53.09 39.96 Favored 'General case' 0 C--N 1.32 -0.712 0 CA-C-N 116.244 -0.435 . . . . 0.0 111.697 -176.756 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -60.94 -31.23 70.77 Favored 'General case' 0 C--N 1.325 -0.47 0 N-CA-C 112.799 0.666 . . . . 0.0 112.799 -174.715 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 13.6 m-20 -102.7 -43.25 5.64 Favored 'General case' 0 C--N 1.33 -0.272 0 N-CA-C 112.687 0.625 . . . . 0.0 112.687 -178.69 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 38' ' ' ILE . . . . . 0.595 HG12 HG13 ' A' ' 58' ' ' VAL . 18.0 mt -90.38 -34.05 6.31 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.428 0 N-CA-C 112.296 0.48 . . . . 0.0 112.296 -170.086 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 39' ' ' LEU . . . . . 0.561 ' HB2' ' HA ' ' A' ' 35' ' ' ASP . 0.4 OUTLIER -61.15 -46.71 95.98 Favored Pre-proline 0 CA--C 1.542 0.644 0 N-CA-C 111.77 0.285 . . . . 0.0 111.77 -175.547 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 40' ' ' PRO . . . . . 0.52 ' HD3' ' O ' ' A' ' 35' ' ' ASP . 21.0 Cg_exo -67.57 -5.05 13.22 Favored 'Trans proline' 0 C--N 1.356 0.937 0 C-N-CA 121.916 1.744 . . . . 0.0 113.011 177.782 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 41' ' ' ILE . . . . . 0.487 HG22 HG23 ' A' ' 42' ' ' ILE . 30.2 mm -100.04 -58.49 3.84 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.409 0 CA-C-O 120.546 0.213 . . . . 0.0 111.051 179.965 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 42' ' ' ILE . . . . . 0.502 ' HA ' HD12 ' A' ' 45' ' ' LEU . 11.3 pt -125.82 8.23 4.1 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.249 0 N-CA-C 112.377 0.51 . . . . 0.0 112.377 -175.874 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -61.34 -41.78 99.61 Favored Glycine 0 N--CA 1.452 -0.272 0 C-N-CA 120.617 -0.801 . . . . 0.0 112.453 -176.17 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -81.7 2.05 84.18 Favored Glycine 0 N--CA 1.446 -0.64 0 C-N-CA 121.02 -0.609 . . . . 0.0 112.943 -179.413 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 45' ' ' LEU . . . . . 0.502 HD12 ' HA ' ' A' ' 42' ' ' ILE . 75.6 mt -89.62 151.55 21.84 Favored 'General case' 0 N--CA 1.45 -0.452 0 CA-C-N 117.047 0.423 . . . . 0.0 110.045 -179.917 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 46' ' ' GLU . . . . . 0.617 ' O ' HG13 ' A' ' 50' ' ' ILE . 41.8 mt-10 -83.5 144.89 29.24 Favored 'General case' 0 C--N 1.32 -0.681 0 N-CA-C 109.166 -0.679 . . . . 0.0 109.166 177.084 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 47' ' ' ILE . . . . . 0.537 HD11 ' HA ' ' A' ' 82' ' ' PHE . 13.8 tt -64.86 -17.96 22.68 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.661 0 CA-C-O 121.209 0.528 . . . . 0.0 111.355 -172.609 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 96.4 mt-30 -100.18 5.04 44.75 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-N 115.902 -0.59 . . . . 0.0 110.672 178.608 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 19.1 t70 -137.03 6.28 2.85 Favored 'General case' 0 CA--C 1.534 0.352 0 CA-C-O 120.933 0.397 . . . . 0.0 111.734 -170.214 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 50' ' ' ILE . . . . . 0.617 HG13 ' O ' ' A' ' 46' ' ' GLU . 83.3 mt -66.65 129.31 31.01 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.358 0 CA-C-O 121.209 0.528 . . . . 0.0 111.576 -177.021 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 51' ' ' GLU . . . . . 0.437 ' HB3' ' HB2' ' A' ' 54' ' ' GLN . 2.5 tm-20 -74.91 126.37 88.38 Favored Pre-proline 0 C--N 1.326 -0.448 0 CA-C-N 115.148 -0.933 . . . . 0.0 109.938 -178.63 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 52' ' ' PRO . . . . . . . . . . . . . 74.7 Cg_exo -48.89 -46.78 23.64 Favored 'Trans proline' 0 C--N 1.348 0.517 0 C-N-CA 123.7 2.933 . . . . 0.0 114.173 -177.62 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 53' ' ' MET . . . . . . . . . . . . . 65.3 mtm -75.76 -19.74 58.79 Favored 'General case' 0 C--N 1.328 -0.341 0 C-N-CA 121.091 -0.244 . . . . 0.0 111.157 -176.855 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 54' ' ' GLN . . . . . 0.437 ' HB2' ' HB3' ' A' ' 51' ' ' GLU . 40.7 mt-30 -76.69 -36.3 57.34 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-O 120.874 0.368 . . . . 0.0 110.275 172.767 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 55' ' ' LEU . . . . . 0.403 ' O ' ' HB ' ' A' ' 58' ' ' VAL . 30.8 tp -67.87 -33.79 75.42 Favored 'General case' 0 C--N 1.324 -0.518 0 N-CA-C 109.234 -0.654 . . . . 0.0 109.234 174.341 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 56' ' ' LEU . . . . . 0.465 HD13 ' O ' ' A' ' 56' ' ' LEU . 2.0 tm? -73.66 -29.52 62.37 Favored 'General case' 0 CA--C 1.531 0.229 0 CA-C-N 115.762 -0.654 . . . . 0.0 109.759 175.491 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 33.2 tt0 -64.69 -29.05 70.04 Favored 'General case' 0 C--N 1.329 -0.298 0 N-CA-C 109.862 -0.422 . . . . 0.0 109.862 176.407 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 58' ' ' VAL . . . . . 0.595 HG13 HG12 ' A' ' 38' ' ' ILE . 69.2 t -67.77 -48.65 74.97 Favored 'Isoleucine or valine' 0 C--O 1.236 0.39 0 CA-C-O 121.57 0.7 . . . . 0.0 110.092 172.105 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 59' ' ' ILE . . . . . 0.405 ' HB ' HD22 ' A' ' 56' ' ' LEU . 48.1 mm -54.69 -48.77 71.8 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.683 0 CA-C-N 115.262 -0.881 . . . . 0.0 110.116 176.615 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 60' ' ' ARG . . . . . 0.586 ' HA ' ' HB2' ' A' ' 63' ' ' GLU . 37.0 mtt180 -78.47 -7.3 57.29 Favored 'General case' 0 C--N 1.331 -0.196 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.92 179.883 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 61' ' ' ARG . . . . . 0.532 ' HB3' ' O ' ' A' ' 58' ' ' VAL . 8.8 tpt180 -68.17 -36.13 79.13 Favored 'General case' 0 C--N 1.323 -0.561 0 N-CA-C 108.247 -1.019 . . . . 0.0 108.247 170.962 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 62' ' ' PHE . . . . . . . . . . . . . 90.9 m-85 -84.23 -31.39 25.04 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 115.432 -0.803 . . . . 0.0 111.392 174.831 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 63' ' ' GLU . . . . . 0.586 ' HB2' ' HA ' ' A' ' 60' ' ' ARG . 35.2 mt-10 -65.32 -25.22 67.52 Favored 'General case' 0 N--CA 1.467 0.386 0 C-N-CA 120.837 -0.345 . . . . 0.0 110.484 175.259 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 20.4 t70 -52.85 -42.74 65.5 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 115.719 -0.673 . . . . 0.0 110.843 174.881 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 82.6 mtm-85 -96.22 4.79 52.14 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-N 116.156 -0.474 . . . . 0.0 111.111 -177.848 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 79.77 18.57 72.59 Favored Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 121.036 -0.602 . . . . 0.0 112.779 175.973 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -91.04 86.48 6.25 Favored 'General case' 0 C--N 1.322 -0.603 0 O-C-N 122.689 -0.3 . . . . 0.0 110.64 -178.802 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 68' ' ' MET . . . . . 0.449 ' HA ' ' CE ' ' A' ' 68' ' ' MET . 13.8 mmt -63.63 -40.01 95.81 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.077 -0.51 . . . . 0.0 110.615 -179.669 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 37.0 tt0 -68.32 -44.66 74.88 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 115.741 -0.663 . . . . 0.0 110.471 -179.194 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 59.2 mtt-85 -74.2 -22.35 59.42 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.465 -0.334 . . . . 0.0 110.833 -178.286 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -66.02 -48.71 70.24 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-O 121.142 0.496 . . . . 0.0 109.794 173.351 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 72' ' ' ASN . . . . . . . . . . . . . 42.8 m-80 -70.71 -26.45 63.41 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 116.022 -0.535 . . . . 0.0 110.287 176.15 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 46.2 tptt -62.65 -40.51 97.25 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 115.99 -0.55 . . . . 0.0 109.579 174.371 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -61.61 -47.6 84.69 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 116.267 -0.424 . . . . 0.0 109.987 173.73 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 59.6 ttt180 -56.19 -54.59 43.36 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 115.16 -0.927 . . . . 0.0 111.624 -178.806 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 99.5 mtt180 -66.99 -40.22 87.34 Favored 'General case' 0 C--N 1.327 -0.373 0 N-CA-C 112.0 0.37 . . . . 0.0 112.0 -176.182 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 77' ' ' ARG . . . . . 0.452 ' O ' HG23 ' A' ' 81' ' ' VAL . 80.4 mtm180 -66.37 -39.46 89.13 Favored 'General case' 0 C--N 1.329 -0.287 0 C-N-CA 120.959 -0.296 . . . . 0.0 111.027 -179.428 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 78' ' ' CYS . . . . . . . . . . . . . 71.3 m -63.57 -43.55 96.68 Favored 'General case' 0 C--N 1.329 -0.302 0 N-CA-C 109.815 -0.439 . . . . 0.0 109.815 175.441 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . -59.4 -35.27 84.46 Favored Glycine 0 C--N 1.333 0.378 0 C-N-CA 121.137 -0.554 . . . . 0.0 112.182 175.463 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 25.7 tp10 -67.73 -43.82 79.05 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-O 120.631 0.253 . . . . 0.0 110.544 177.803 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 81' ' ' VAL . . . . . 0.452 HG23 ' O ' ' A' ' 77' ' ' ARG . 94.4 t -61.02 -42.82 94.55 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.226 0 N-CA-C 109.826 -0.435 . . . . 0.0 109.826 174.958 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 82' ' ' PHE . . . . . 0.546 ' HB3' ' HB3' ' A' ' 94' ' ' ASN . 19.6 m-85 -57.23 -51.28 70.0 Favored 'General case' 0 C--N 1.332 -0.152 0 CA-C-N 115.821 -0.627 . . . . 0.0 110.247 175.568 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 83' ' ' ARG . . . . . 0.533 ' O ' HG23 ' A' ' 87' ' ' VAL . 65.2 ttp85 -56.54 -50.52 71.64 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 115.92 -0.582 . . . . 0.0 110.651 -179.886 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 84' ' ' TYR . . . . . . . . . . . . . 66.7 t80 -55.02 -44.7 74.86 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 115.862 -0.608 . . . . 0.0 110.874 -179.622 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 85' ' ' ALA . . . . . 0.523 ' HB2' HG21 ' A' ' 10' ' ' ILE . . . -69.46 -36.33 76.48 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.06 -0.518 . . . . 0.0 111.594 -179.647 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 86' ' ' ILE . . . . . 0.479 HG13 ' O ' ' A' ' 82' ' ' PHE . 72.8 mt -63.67 -42.85 97.43 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 CA-C-O 120.715 0.293 . . . . 0.0 110.529 177.414 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 87' ' ' VAL . . . . . 0.533 HG23 ' O ' ' A' ' 83' ' ' ARG . 59.1 t -63.41 -40.0 87.4 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-N 116.443 -0.344 . . . . 0.0 111.395 -179.319 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 88' ' ' THR . . . . . 0.441 HG23 ' HG3' ' A' ' 90' ' ' ARG . 9.6 t -82.1 -10.29 59.25 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-O 120.992 0.425 . . . . 0.0 110.939 179.317 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . 84.76 24.22 46.67 Favored Glycine 0 N--CA 1.452 -0.271 0 C-N-CA 120.796 -0.716 . . . . 0.0 113.222 176.831 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 90' ' ' ARG . . . . . 0.441 ' HG3' HG23 ' A' ' 88' ' ' THR . 99.0 mtt180 -98.59 -7.51 28.01 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-O 121.434 0.635 . . . . 0.0 109.96 177.041 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . -134.32 138.96 45.33 Favored 'General case' 0 C--N 1.323 -0.576 0 CA-C-N 115.158 -0.928 . . . . 0.0 108.766 173.887 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 78.7 tttt -93.27 -45.66 7.74 Favored 'General case' 0 C--N 1.323 -0.55 0 CA-C-O 121.231 0.539 . . . . 0.0 109.774 -176.182 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 93' ' ' TYR . . . . . . . . . . . . . 27.3 p90 -147.23 149.75 33.52 Favored 'General case' 0 C--N 1.324 -0.52 0 N-CA-C 108.744 -0.836 . . . . 0.0 108.744 174.41 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 94' ' ' ASN . . . . . 0.546 ' HB3' ' HB3' ' A' ' 82' ' ' PHE . 27.9 p-10 -106.72 136.78 19.37 Favored Pre-proline 0 C--N 1.321 -0.67 0 CA-C-O 121.026 0.441 . . . . 0.0 111.154 -176.91 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 95' ' ' PRO . . . . . 0.496 ' HD3' ' HA ' ' A' ' 94' ' ' ASN . 3.1 Cg_exo -76.52 34.09 0.43 Allowed 'Trans proline' 0 CA--C 1.531 0.369 0 C-N-CA 123.554 2.836 . . . . 0.0 112.789 -178.588 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 96' ' ' ALA . . . . . 0.564 ' N ' ' HD2' ' A' ' 97' ' ' PRO . . . -67.27 -45.3 49.9 Favored Pre-proline 0 C--N 1.327 -0.371 0 CA-C-N 116.388 -0.369 . . . . 0.0 111.47 178.763 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 97' ' ' PRO . . . . . 0.564 ' HD2' ' N ' ' A' ' 96' ' ' ALA . 14.8 Cg_endo -58.96 -40.99 66.24 Favored 'Trans proline' 0 C--N 1.356 0.943 0 C-N-CA 121.791 1.66 . . . . 0.0 111.596 173.245 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 3.5 m-20 -60.76 -41.04 94.67 Favored 'General case' 0 C--N 1.332 -0.186 0 CA-C-N 115.694 -0.684 . . . . 0.0 110.564 177.771 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 99' ' ' LEU . . . . . . . . . . . . . 3.3 tm? -54.5 -48.32 72.02 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.556 179.172 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 100' ' ' ALA . . . . . . . . . . . . . . . -67.66 -42.04 82.81 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 116.025 -0.534 . . . . 0.0 111.275 -177.787 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 6.1 t70 -70.12 -38.52 75.59 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-O 121.066 0.46 . . . . 0.0 110.424 -177.604 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -66.13 -35.6 80.91 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 115.921 -0.581 . . . . 0.0 110.745 177.574 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 103' ' ' MET . . . . . . . . . . . . . 53.3 ttm -58.05 -43.47 86.91 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-O 121.098 0.475 . . . . 0.0 110.353 175.569 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 104' ' ' LYS . . . . . . . . . . . . . 88.3 mttt -66.28 -45.52 80.15 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 115.853 -0.612 . . . . 0.0 110.413 177.693 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 105' ' ' GLY . . . . . . . . . . . . . . . -64.35 -29.87 76.27 Favored Glycine 0 N--CA 1.451 -0.308 0 CA-C-N 115.679 -0.692 . . . . 0.0 112.352 -179.641 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 106' ' ' TYR . . . . . . . . . . . . . 3.5 t80 -68.43 -42.07 79.44 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-O 120.965 0.412 . . . . 0.0 110.221 179.423 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 107' ' ' ARG . . . . . 0.639 ' HD3' ' O ' ' A' ' 107' ' ' ARG . 0.0 OUTLIER -76.89 -15.98 59.53 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.067 -179.315 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 108' ' ' LYS . . . . . . . . . . . . . 62.0 tttp -68.74 -15.03 63.39 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 115.858 -0.61 . . . . 0.0 110.755 178.952 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 109' ' ' LYS . . . . . . . . . . . . . 48.3 tttm -123.76 121.36 35.26 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-N 116.036 -0.529 . . . . 0.0 110.248 -179.51 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 110' ' ' ASN . . . . . . . . . . . . . 62.7 t30 -90.5 137.39 32.39 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.531 -0.304 . . . . 0.0 110.844 -177.308 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 111' ' ' LEU . . . . . . . . . . . . . 96.5 mt -76.09 132.67 40.2 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.887 -179.108 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 112' ' ' GLU . . . . . . . . . . . . . 30.6 tt0 -83.8 144.99 28.93 Favored 'General case' 0 C--N 1.323 -0.552 0 CA-C-N 115.822 -0.626 . . . . 0.0 110.448 -179.8 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 113' ' ' HIS . . . . . . . . . . . . . 95.4 m-70 -102.35 157.72 16.7 Favored 'General case' 0 C--N 1.327 -0.399 0 N-CA-C 110.019 -0.363 . . . . 0.0 110.019 175.408 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 114' ' ' HIS . . . . . . . . . . . . . 27.5 m170 -68.54 -37.68 80.19 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.372 -177.434 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 115' ' ' HIS . . . . . . . . . . . . . 74.2 t60 -76.31 73.74 3.1 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 121.339 0.59 . . . . 0.0 109.808 177.984 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 116' ' ' HIS . . . . . . . . . . . . . 30.9 t60 -165.35 0.54 0.03 OUTLIER 'General case' 0 C--N 1.323 -0.561 0 CA-C-N 115.333 -0.849 . . . . 0.0 109.928 -177.552 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 117' ' ' HIS . . . . . . . . . . . . . 92.2 m-70 -110.26 27.44 9.62 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.049 -0.523 . . . . 0.0 110.201 -177.393 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 118' ' ' HIS . . . . . . . . . . . . . 34.2 t-80 . . . . . 0 C--O 1.246 0.89 0 CA-C-O 117.721 -1.133 . . . . 0.0 109.41 -174.924 . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 22.7 m . . . . . 0 N--CA 1.48 1.066 0 CA-C-O 120.692 0.282 . . . . 0.0 111.541 . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 25.0 m -79.84 112.41 17.1 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-O 120.685 0.279 . . . . 0.0 110.887 -176.787 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 3' ' ' ASN . . . . . . . . . . . . . 13.1 t-20 63.02 24.89 14.77 Favored 'General case' 0 N--CA 1.468 0.452 0 CA-C-N 115.544 -0.753 . . . . 0.0 110.713 179.403 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 4' ' ' ASN . . . . . . . . . . . . . 6.1 m-20 -69.83 165.28 21.85 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 116.048 -0.524 . . . . 0.0 110.363 177.25 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 87.7 m-20 -89.37 6.76 39.12 Favored 'General case' 0 C--N 1.323 -0.564 0 CA-C-N 116.471 -0.331 . . . . 0.0 110.502 179.82 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 6' ' ' SER . . . . . 0.538 ' HA ' ' HA ' ' A' ' 46' ' ' GLU . 19.9 m -62.36 139.34 58.54 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.482 176.489 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 7' ' ' PHE . . . . . . . . . . . . . 35.9 t80 -59.64 -45.96 90.44 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.242 -175.047 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 27.0 t -61.65 -36.46 80.86 Favored 'General case' 0 C--N 1.33 -0.243 0 N-CA-C 111.394 0.146 . . . . 0.0 111.394 -178.56 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -63.61 -49.2 74.25 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 121.035 0.445 . . . . 0.0 110.642 179.082 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 62.7 mt -67.8 -37.72 78.99 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.417 0 CA-C-N 115.946 -0.57 . . . . 0.0 110.311 179.322 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 3.0 t80 -56.32 -43.37 78.92 Favored 'General case' 0 C--N 1.333 -0.136 0 CA-C-N 116.037 -0.529 . . . . 0.0 110.953 175.047 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 50.7 tptt -59.98 -47.75 84.54 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.559 -0.291 . . . . 0.0 110.583 -179.422 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 33.7 tt0 -66.49 -45.56 79.22 Favored 'General case' 0 CA--C 1.532 0.277 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.479 179.238 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 14' ' ' TRP . . . . . . . . . . . . . 61.2 t90 -57.77 -54.41 47.2 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 115.874 -0.603 . . . . 0.0 110.942 178.99 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 15' ' ' TYR . . . . . 0.632 ' CE1' ' HB2' ' A' ' 31' ' ' ALA . 23.2 t80 -57.32 -53.33 59.34 Favored 'General case' 0 C--O 1.224 -0.263 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.57 -177.675 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 41.1 tt0 -60.38 -32.13 71.01 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-O 120.901 0.381 . . . . 0.0 111.057 -175.023 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 17' ' ' HIS . . . . . . . . . . . . . 49.2 t60 -78.41 -43.28 27.8 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-N 116.335 -0.393 . . . . 0.0 110.796 179.317 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 12.6 tptm -77.31 -16.05 59.13 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-O 121.275 0.56 . . . . 0.0 110.276 -177.282 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 58.5 tttm -66.54 -17.74 64.98 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 115.607 -0.724 . . . . 0.0 110.556 175.841 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 96.0 mt-30 -75.4 -10.79 59.76 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 116.051 -0.522 . . . . 0.0 110.352 177.259 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 58.7 t -99.85 -40.7 8.72 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-N 115.984 -0.553 . . . . 0.0 110.73 179.655 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 22' ' ' TRP . . . . . . . . . . . . . 10.9 m0 -91.33 162.97 14.38 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 116.102 -0.499 . . . . 0.0 111.019 -178.135 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 16.2 m -77.45 153.94 33.06 Favored 'General case' 0 C--N 1.323 -0.547 0 N-CA-C 109.664 -0.495 . . . . 0.0 109.664 175.01 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 14.0 p -55.19 -38.7 48.1 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.328 0 N-CA-C 112.083 0.401 . . . . 0.0 112.083 -175.165 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -61.78 -61.2 7.0 Favored Glycine 0 C--N 1.332 0.309 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.249 -179.784 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 26' ' ' TYR . . . . . . . . . . . . . 89.1 t80 -59.05 -38.98 80.63 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-O 120.646 0.26 . . . . 0.0 110.928 179.274 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -61.97 -42.89 99.64 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.397 -0.365 . . . . 0.0 110.958 -179.507 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 90.7 m -63.25 -46.69 85.7 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-O 120.721 0.296 . . . . 0.0 111.288 179.96 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 54.0 mt-10 -67.06 -39.12 86.83 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.395 -0.366 . . . . 0.0 111.187 -178.567 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 10.5 tt -67.1 -42.44 84.56 Favored 'General case' 0 C--N 1.328 -0.36 0 N-CA-C 109.874 -0.417 . . . . 0.0 109.874 177.119 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 31' ' ' ALA . . . . . 0.632 ' HB2' ' CE1' ' A' ' 15' ' ' TYR . . . -60.68 -48.31 82.36 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 115.992 -0.549 . . . . 0.0 110.943 178.939 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 32' ' ' LYS . . . . . 0.603 ' HA ' ' HB3' ' A' ' 35' ' ' ASP . 54.3 tttp -73.22 -18.27 61.26 Favored 'General case' 0 N--CA 1.446 -0.636 0 C-N-CA 119.907 -0.717 . . . . 0.0 110.789 -177.381 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 33' ' ' MET . . . . . . . . . . . . . 62.3 ttp -62.82 -43.4 98.89 Favored 'General case' 0 C--N 1.326 -0.437 0 N-CA-C 108.738 -0.838 . . . . 0.0 108.738 172.521 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 34' ' ' PHE . . . . . 0.664 ' HA ' HD13 ' A' ' 38' ' ' ILE . 29.1 m-85 -69.35 -38.27 78.03 Favored 'General case' 0 C--O 1.222 -0.36 0 CA-C-N 115.697 -0.683 . . . . 0.0 110.751 174.126 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 35' ' ' ASP . . . . . 0.603 ' HB3' ' HA ' ' A' ' 32' ' ' LYS . 17.1 t70 -59.93 -66.56 0.5 Allowed 'General case' 0 C--N 1.32 -0.677 0 CA-C-N 116.381 -0.372 . . . . 0.0 111.255 178.078 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 20.9 t70 -71.87 -28.66 63.68 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 115.779 -0.646 . . . . 0.0 112.521 -168.12 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 47.5 m-20 -107.74 -43.63 4.43 Favored 'General case' 0 C--N 1.329 -0.296 0 N-CA-C 112.307 0.484 . . . . 0.0 112.307 -176.636 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 38' ' ' ILE . . . . . 0.664 HD13 ' HA ' ' A' ' 34' ' ' PHE . 1.8 mp -79.75 -43.3 22.97 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.375 0 N-CA-C 111.918 0.34 . . . . 0.0 111.918 -175.885 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 39' ' ' LEU . . . . . 0.562 ' N ' ' HD2' ' A' ' 40' ' ' PRO . 37.4 mt -65.99 -42.74 54.03 Favored Pre-proline 0 CA--C 1.535 0.392 0 N-CA-C 113.462 0.912 . . . . 0.0 113.462 -171.328 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 40' ' ' PRO . . . . . 0.562 ' HD2' ' N ' ' A' ' 39' ' ' LEU . 32.6 Cg_endo -63.91 -13.0 34.67 Favored 'Trans proline' 0 C--N 1.352 0.723 0 C-N-CA 121.807 1.671 . . . . 0.0 112.438 177.826 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 41' ' ' ILE . . . . . 0.53 HG22 HG23 ' A' ' 42' ' ' ILE . 33.0 mm -98.99 -67.75 0.92 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.386 0 CA-C-N 116.521 -0.309 . . . . 0.0 110.471 179.679 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 42' ' ' ILE . . . . . 0.53 HG23 HG22 ' A' ' 41' ' ' ILE . 17.3 pt -120.97 10.71 6.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 N-CA-C 112.027 0.38 . . . . 0.0 112.027 -174.382 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 43' ' ' GLY . . . . . 0.447 ' HA3' ' HA ' ' A' ' 39' ' ' LEU . . . -60.62 -36.33 91.31 Favored Glycine 0 N--CA 1.452 -0.26 0 C-N-CA 120.623 -0.799 . . . . 0.0 112.626 -176.256 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -97.87 20.14 51.81 Favored Glycine 0 N--CA 1.445 -0.765 0 C-N-CA 120.802 -0.713 . . . . 0.0 112.618 -178.916 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 45' ' ' LEU . . . . . 0.449 HD12 HG22 ' A' ' 42' ' ' ILE . 84.3 mt -107.1 158.59 16.96 Favored 'General case' 0 N--CA 1.454 -0.274 0 N-CA-C 110.102 -0.333 . . . . 0.0 110.102 177.777 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 46' ' ' GLU . . . . . 0.538 ' HA ' ' HA ' ' A' ' 6' ' ' SER . 47.9 mt-10 -80.52 140.49 35.83 Favored 'General case' 0 C--N 1.323 -0.549 0 N-CA-C 109.904 -0.406 . . . . 0.0 109.904 177.301 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 47' ' ' ILE . . . . . 0.401 HD11 ' HA ' ' A' ' 82' ' ' PHE . 15.0 tt -63.85 -20.92 27.56 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.633 0 CA-C-N 116.087 -0.506 . . . . 0.0 111.267 -175.614 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 98.1 mt-30 -89.16 -12.9 39.68 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.024 -0.534 . . . . 0.0 110.869 177.556 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 27.3 t70 -130.73 51.25 2.14 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-O 121.507 0.67 . . . . 0.0 111.045 -169.834 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 50' ' ' ILE . . . . . 0.519 HG13 ' O ' ' A' ' 46' ' ' GLU . 81.2 mt -108.7 129.18 63.66 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.701 0 CA-C-N 115.789 -0.641 . . . . 0.0 109.933 176.539 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 43.2 mt-10 -74.05 143.43 80.67 Favored Pre-proline 0 C--N 1.326 -0.456 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.058 179.663 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 52' ' ' PRO . . . . . . . . . . . . . 53.0 Cg_exo -55.68 -34.64 91.19 Favored 'Trans proline' 0 N--CA 1.462 -0.349 0 C-N-CA 122.53 2.153 . . . . 0.0 111.346 176.588 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 53' ' ' MET . . . . . . . . . . . . . 65.5 mtt -65.72 -33.04 74.95 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 115.819 -0.628 . . . . 0.0 111.08 179.231 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 82.6 mt-30 -79.74 -43.7 22.1 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.388 -0.369 . . . . 0.0 111.308 -177.493 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 55' ' ' LEU . . . . . 0.425 HD23 ' HB2' ' A' ' 99' ' ' LEU . 32.9 tp -64.06 -36.52 84.28 Favored 'General case' 0 C--N 1.323 -0.578 0 CA-C-O 121.532 0.682 . . . . 0.0 109.193 176.141 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 56' ' ' LEU . . . . . 0.757 HD11 ' HE ' ' A' ' 60' ' ' ARG . 2.3 tm? -71.77 -28.76 63.85 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-N 115.389 -0.823 . . . . 0.0 110.046 176.751 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 32.4 tt0 -70.52 -33.25 70.97 Favored 'General case' 0 C--O 1.222 -0.349 0 N-CA-C 109.892 -0.41 . . . . 0.0 109.892 177.481 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 58' ' ' VAL . . . . . 0.673 ' O ' ' HB3' ' A' ' 61' ' ' ARG . 53.1 t -58.9 -50.79 78.28 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 CA-C-O 121.561 0.696 . . . . 0.0 110.061 172.793 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 59' ' ' ILE . . . . . 0.56 HG23 ' HB1' ' A' ' 71' ' ' ALA . 1.6 mp -61.08 -40.68 86.53 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.693 0 CA-C-N 115.473 -0.785 . . . . 0.0 110.713 177.784 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 60' ' ' ARG . . . . . 0.757 ' HE ' HD11 ' A' ' 56' ' ' LEU . 0.0 OUTLIER -74.14 -17.71 60.89 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-O 120.813 0.339 . . . . 0.0 111.142 178.138 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 61' ' ' ARG . . . . . 0.673 ' HB3' ' O ' ' A' ' 58' ' ' VAL . 17.2 tpt180 -64.42 -41.0 96.84 Favored 'General case' 0 C--N 1.326 -0.455 0 N-CA-C 109.435 -0.58 . . . . 0.0 109.435 173.812 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 62' ' ' PHE . . . . . 0.406 ' HB3' ' HB3' ' A' ' 67' ' ' ALA . 97.0 m-85 -71.91 -31.45 66.39 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-N 115.686 -0.688 . . . . 0.0 110.489 173.562 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 63' ' ' GLU . . . . . 0.527 ' OE1' ' HD2' ' A' ' 60' ' ' ARG . 36.0 tt0 -65.19 -31.07 72.06 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 115.861 -0.609 . . . . 0.0 111.035 179.918 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 30.5 m-20 -55.96 -27.99 55.02 Favored 'General case' 0 N--CA 1.467 0.383 0 CA-C-N 116.572 -0.286 . . . . 0.0 111.157 176.328 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 66.3 mtm-85 -105.46 9.28 33.64 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-O 120.843 0.354 . . . . 0.0 110.815 -179.569 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 71.3 25.53 75.28 Favored Glycine 0 N--CA 1.45 -0.367 0 C-N-CA 121.15 -0.548 . . . . 0.0 112.753 179.276 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 67' ' ' ALA . . . . . 0.406 ' HB3' ' HB3' ' A' ' 62' ' ' PHE . . . -91.22 98.26 11.62 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-O 120.88 0.371 . . . . 0.0 110.999 -178.551 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 68' ' ' MET . . . . . 0.467 ' HA ' ' CE ' ' A' ' 68' ' ' MET . 11.2 mmt -80.04 -54.5 5.73 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 116.066 -0.515 . . . . 0.0 111.334 -176.412 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 69' ' ' GLU . . . . . 0.418 ' O ' ' HB2' ' A' ' 73' ' ' LYS . 1.7 mp0 -63.84 -35.95 82.32 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.563 -0.29 . . . . 0.0 110.508 179.507 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 3.9 ttt85 -70.0 -29.8 66.96 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 116.458 -0.337 . . . . 0.0 110.632 -178.828 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 71' ' ' ALA . . . . . 0.56 ' HB1' HG23 ' A' ' 59' ' ' ILE . . . -66.99 -46.12 75.53 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-O 121.187 0.518 . . . . 0.0 110.004 176.488 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 72' ' ' ASN . . . . . 0.419 ' HA ' ' HB3' ' A' ' 75' ' ' ARG . 49.1 m-80 -75.64 -19.93 58.85 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 115.891 -0.595 . . . . 0.0 110.378 178.067 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 73' ' ' LYS . . . . . 0.418 ' HB2' ' O ' ' A' ' 69' ' ' GLU . 24.1 tttp -66.01 -52.85 45.57 Favored 'General case' 0 C--N 1.326 -0.415 0 N-CA-C 108.932 -0.766 . . . . 0.0 108.932 173.967 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -58.39 -48.34 80.96 Favored 'General case' 0 C--O 1.223 -0.308 0 CA-C-N 115.616 -0.72 . . . . 0.0 109.798 174.959 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 75' ' ' ARG . . . . . 0.419 ' HB3' ' HA ' ' A' ' 72' ' ' ASN . 76.4 ttt180 -47.95 -49.77 29.28 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-N 115.304 -0.862 . . . . 0.0 111.893 178.112 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 38.4 ttp180 -81.69 -30.49 32.59 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-N 116.501 -0.318 . . . . 0.0 111.408 -174.14 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 77' ' ' ARG . . . . . 0.413 ' O ' HG23 ' A' ' 81' ' ' VAL . 35.7 mmt180 -76.25 -38.14 56.69 Favored 'General case' 0 C--N 1.327 -0.379 0 C-N-CA 121.072 -0.251 . . . . 0.0 110.984 178.84 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 78' ' ' CYS . . . . . . . . . . . . . 98.4 m -64.05 -42.88 96.88 Favored 'General case' 0 C--N 1.331 -0.239 0 N-CA-C 109.667 -0.494 . . . . 0.0 109.667 174.211 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . -55.36 -35.58 61.22 Favored Glycine 0 C--N 1.336 0.562 0 C-N-CA 121.009 -0.615 . . . . 0.0 111.909 173.919 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 40.7 tt0 -66.14 -41.75 90.03 Favored 'General case' 0 C--N 1.329 -0.284 0 N-CA-C 110.31 -0.255 . . . . 0.0 110.31 176.621 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 81' ' ' VAL . . . . . 0.413 HG23 ' O ' ' A' ' 77' ' ' ARG . 60.2 t -62.71 -42.92 97.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.306 -0.406 . . . . 0.0 110.653 177.112 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 82' ' ' PHE . . . . . 0.487 ' O ' HG13 ' A' ' 86' ' ' ILE . 59.5 m-85 -58.88 -46.79 86.99 Favored 'General case' 0 C--N 1.332 -0.193 0 CA-C-O 120.996 0.427 . . . . 0.0 110.295 175.111 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 83' ' ' ARG . . . . . 0.443 ' HA ' HD12 ' A' ' 86' ' ' ILE . 74.7 ttt180 -63.68 -39.28 93.93 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 115.704 -0.68 . . . . 0.0 110.4 179.526 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 84' ' ' TYR . . . . . . . . . . . . . 68.1 t80 -58.21 -43.01 87.46 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 115.715 -0.675 . . . . 0.0 109.906 176.654 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 85' ' ' ALA . . . . . 0.409 ' HA ' ' OG1' ' A' ' 88' ' ' THR . . . -65.89 -34.15 77.47 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 116.079 -0.509 . . . . 0.0 111.048 179.139 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 86' ' ' ILE . . . . . 0.559 ' HA ' ' O ' ' A' ' 91' ' ' ALA . 79.6 mt -64.74 -41.49 92.35 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 CA-C-O 121.213 0.53 . . . . 0.0 110.381 177.128 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 87' ' ' VAL . . . . . 0.436 HG23 ' O ' ' A' ' 83' ' ' ARG . 47.7 t -74.04 -32.04 31.88 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.387 0 CA-C-N 115.95 -0.568 . . . . 0.0 110.973 -179.87 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 88' ' ' THR . . . . . 0.409 ' OG1' ' HA ' ' A' ' 85' ' ' ALA . 19.8 p -87.93 2.64 51.1 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-O 120.773 0.321 . . . . 0.0 111.499 -178.797 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . 66.96 37.97 92.5 Favored Glycine 0 N--CA 1.453 -0.203 0 C-N-CA 121.017 -0.611 . . . . 0.0 112.676 178.007 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 90' ' ' ARG . . . . . 0.408 HH11 ' HD2' ' A' ' 90' ' ' ARG . 70.3 mtt180 -112.41 -15.75 13.05 Favored 'General case' 0 C--N 1.321 -0.645 0 CA-C-O 120.865 0.364 . . . . 0.0 110.471 178.147 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 91' ' ' ALA . . . . . 0.559 ' O ' ' HA ' ' A' ' 86' ' ' ILE . . . -155.74 169.27 24.75 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 115.841 -0.618 . . . . 0.0 110.04 -179.393 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 80.1 tttt -136.23 -64.84 0.59 Allowed 'General case' 0 C--N 1.322 -0.61 0 CA-C-N 116.301 -0.409 . . . . 0.0 110.112 176.873 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 93' ' ' TYR . . . . . . . . . . . . . 88.0 t80 -89.93 133.28 34.87 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.134 178.718 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 94' ' ' ASN . . . . . 0.464 ' HA ' ' HD3' ' A' ' 95' ' ' PRO . 26.5 p30 -114.41 148.75 40.89 Favored Pre-proline 0 C--N 1.319 -0.729 0 CA-C-N 115.75 -0.659 . . . . 0.0 110.248 178.822 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 95' ' ' PRO . . . . . 0.464 ' HD3' ' HA ' ' A' ' 94' ' ' ASN . 2.6 Cg_exo -77.78 28.53 0.45 Allowed 'Trans proline' 0 N--CA 1.464 -0.258 0 C-N-CA 123.061 2.507 . . . . 0.0 112.254 177.223 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 96' ' ' ALA . . . . . 0.515 ' N ' ' HD2' ' A' ' 97' ' ' PRO . . . -69.85 -47.9 22.76 Favored Pre-proline 0 CA--C 1.536 0.436 0 N-CA-C 111.626 0.232 . . . . 0.0 111.626 -179.353 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 97' ' ' PRO . . . . . 0.515 ' HD2' ' N ' ' A' ' 96' ' ' ALA . 19.2 Cg_endo -60.72 -32.83 93.5 Favored 'Trans proline' 0 C--N 1.357 1.023 0 C-N-CA 121.721 1.614 . . . . 0.0 111.537 173.816 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 23.9 m-20 -72.02 -36.47 69.71 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 115.753 -0.658 . . . . 0.0 110.225 177.697 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 99' ' ' LEU . . . . . 0.425 ' HB2' HD23 ' A' ' 55' ' ' LEU . 3.1 tm? -58.91 -44.68 91.29 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 115.802 -0.636 . . . . 0.0 109.993 176.601 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 100' ' ' ALA . . . . . . . . . . . . . . . -63.99 -41.15 97.6 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.727 179.803 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 32.1 t70 -68.44 -41.52 80.18 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.659 179.425 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 102' ' ' ALA . . . . . 0.523 ' O ' ' HB2' ' A' ' 106' ' ' TYR . . . -70.81 -17.95 62.75 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-O 121.032 0.444 . . . . 0.0 111.1 179.424 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 103' ' ' MET . . . . . . . . . . . . . 50.8 ttm -80.59 -50.38 10.06 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-O 120.926 0.393 . . . . 0.0 110.586 177.061 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 104' ' ' LYS . . . . . . . . . . . . . 62.6 tttm -82.54 -36.25 26.5 Favored 'General case' 0 C--N 1.321 -0.663 0 CA-C-N 116.07 -0.514 . . . . 0.0 111.478 -176.31 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 105' ' ' GLY . . . . . . . . . . . . . . . -74.53 -13.7 81.66 Favored Glycine 0 C--O 1.228 -0.237 0 C-N-CA 121.195 -0.526 . . . . 0.0 112.276 -179.111 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 106' ' ' TYR . . . . . 0.523 ' HB2' ' O ' ' A' ' 102' ' ' ALA . 62.4 t80 -78.69 -12.37 60.02 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-O 120.859 0.362 . . . . 0.0 110.176 178.298 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 107' ' ' ARG . . . . . . . . . . . . . 33.2 ttt180 -69.08 -11.93 61.23 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.992 -176.931 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 108' ' ' LYS . . . . . . . . . . . . . 63.2 mttm -58.59 -32.59 69.12 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.094 -0.503 . . . . 0.0 109.737 173.156 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 109' ' ' LYS . . . . . . . . . . . . . 62.1 tttm 58.8 82.18 0.15 Allowed 'General case' 0 C--O 1.233 0.199 0 CA-C-N 115.014 -0.994 . . . . 0.0 110.481 -178.166 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 110' ' ' ASN . . . . . . . . . . . . . 92.6 m-20 -62.07 143.78 56.16 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 115.232 -0.895 . . . . 0.0 110.808 -176.858 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 111' ' ' LEU . . . . . . . . . . . . . 87.4 mt -71.47 -43.15 67.15 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-N 115.828 -0.624 . . . . 0.0 111.481 -173.857 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 112' ' ' GLU . . . . . . . . . . . . . 34.4 tt0 -93.33 120.68 33.89 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-O 121.259 0.552 . . . . 0.0 111.162 -176.844 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 113' ' ' HIS . . . . . . . . . . . . . 24.5 t-80 -92.32 121.08 33.48 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-N 115.526 -0.761 . . . . 0.0 109.696 178.143 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 114' ' ' HIS . . . . . . . . . . . . . 37.2 m80 -96.74 179.08 5.1 Favored 'General case' 0 C--N 1.321 -0.633 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.551 -179.182 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 115' ' ' HIS . . . . . . . . . . . . . 21.5 p-80 -107.61 -6.0 17.17 Favored 'General case' 0 C--N 1.328 -0.369 0 C-N-CA 120.746 -0.382 . . . . 0.0 111.5 -176.231 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 116' ' ' HIS . . . . . . . . . . . . . 17.7 t60 -64.08 -43.24 96.02 Favored 'General case' 0 CA--C 1.52 -0.192 0 N-CA-C 108.414 -0.958 . . . . 0.0 108.414 171.745 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 117' ' ' HIS . . . . . . . . . . . . . 46.1 t-80 -116.15 106.52 13.81 Favored 'General case' 0 C--N 1.322 -0.608 0 CA-C-N 115.18 -0.918 . . . . 0.0 108.567 169.782 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 118' ' ' HIS . . . . . . . . . . . . . 1.5 p-80 . . . . . 0 C--O 1.251 1.174 0 CA-C-O 118.267 -0.873 . . . . 0.0 111.068 -178.227 . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 49.2 m . . . . . 0 N--CA 1.475 0.822 0 CA-C-O 120.867 0.365 . . . . 0.0 110.577 . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 1.6 p -170.52 166.68 8.28 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-N 115.894 -0.594 . . . . 0.0 110.181 -176.297 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 3' ' ' ASN . . . . . . . . . . . . . 28.7 p-10 -80.07 15.12 1.59 Allowed 'General case' 0 N--CA 1.464 0.259 0 CA-C-O 120.866 0.365 . . . . 0.0 111.804 -174.69 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 4' ' ' ASN . . . . . . . . . . . . . 30.3 p-10 -91.24 3.74 54.07 Favored 'General case' 0 C--N 1.323 -0.553 0 CA-C-O 120.949 0.404 . . . . 0.0 110.324 179.088 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 96.1 m-20 -84.13 -11.52 56.48 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.4 177.761 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 20.2 m -62.53 141.45 58.43 Favored 'General case' 0 C--O 1.239 0.525 0 CA-C-N 116.028 -0.533 . . . . 0.0 110.087 176.608 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 7' ' ' PHE . . . . . 0.587 ' HE1' ' HZ ' ' A' ' 34' ' ' PHE . 18.7 t80 -56.57 -44.79 81.33 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.113 -175.014 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 49.2 m -57.39 -35.0 69.46 Favored 'General case' 0 CA--C 1.532 0.273 0 N-CA-C 112.11 0.411 . . . . 0.0 112.11 -179.46 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -67.46 -54.88 16.43 Favored 'General case' 0 C--O 1.237 0.399 0 CA-C-O 121.124 0.488 . . . . 0.0 110.654 -178.488 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 59.2 mt -66.25 -31.88 55.59 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-N 115.7 -0.682 . . . . 0.0 110.27 179.762 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 7.3 t80 -56.22 -48.01 77.31 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 115.843 -0.617 . . . . 0.0 111.157 175.806 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 82.9 tttt -63.54 -41.42 98.46 Favored 'General case' 0 C--N 1.329 -0.295 0 C-N-CA 120.718 -0.393 . . . . 0.0 110.496 -179.113 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 39.7 tt0 -63.08 -49.36 74.82 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.131 178.625 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 14' ' ' TRP . . . . . . . . . . . . . 62.5 t90 -57.56 -48.16 80.08 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 115.811 -0.631 . . . . 0.0 110.563 176.847 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 15' ' ' TYR . . . . . 0.547 ' CE1' ' HB2' ' A' ' 31' ' ' ALA . 22.4 t80 -55.69 -52.45 63.82 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 115.922 -0.581 . . . . 0.0 111.222 178.618 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 1.2 tp10 -61.71 -34.63 76.14 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-O 120.975 0.417 . . . . 0.0 110.65 -176.122 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 17' ' ' HIS . . . . . . . . . . . . . 1.6 m80 -71.02 -47.77 56.78 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 115.954 -0.566 . . . . 0.0 110.72 179.324 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 13.8 mmmm -75.49 -14.09 60.41 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.453 -0.34 . . . . 0.0 111.107 -178.21 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 36.7 ttpt -67.35 -17.7 64.86 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 121.438 0.637 . . . . 0.0 110.35 177.776 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 97.3 mt-30 -88.43 -10.24 49.86 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 115.817 -0.628 . . . . 0.0 110.346 177.093 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 46.5 t -100.29 -41.06 8.8 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.393 0 CA-C-N 115.855 -0.612 . . . . 0.0 110.738 -177.985 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 22' ' ' TRP . . . . . . . . . . . . . 12.4 m0 -92.5 165.42 13.03 Favored 'General case' 0 C--N 1.323 -0.565 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.488 179.775 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 15.1 p -68.4 136.58 53.54 Favored 'General case' 0 C--N 1.322 -0.599 0 N-CA-C 109.406 -0.59 . . . . 0.0 109.406 173.621 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 71.8 t -55.71 -38.68 51.82 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.413 0 N-CA-C 111.913 0.338 . . . . 0.0 111.913 -176.171 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -58.78 -50.08 71.06 Favored Glycine 0 N--CA 1.452 -0.256 0 C-N-CA 120.633 -0.794 . . . . 0.0 111.736 177.633 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 26' ' ' TYR . . . . . . . . . . . . . 48.7 t80 -70.19 -39.18 75.36 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-O 120.516 0.198 . . . . 0.0 110.822 179.413 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -60.96 -39.93 91.44 Favored 'General case' 0 C--N 1.332 -0.174 0 CA-C-O 120.829 0.347 . . . . 0.0 111.041 -178.9 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 50.1 m -67.57 -44.85 77.19 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 116.337 -0.392 . . . . 0.0 111.044 179.998 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 41.5 mt-10 -65.42 -44.41 87.48 Favored 'General case' 0 C--N 1.331 -0.196 0 CA-C-O 120.612 0.244 . . . . 0.0 110.732 177.778 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 9.7 tt -57.61 -40.87 80.09 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.309 177.736 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 31' ' ' ALA . . . . . 0.547 ' HB2' ' CE1' ' A' ' 15' ' ' TYR . . . -66.22 -55.63 15.26 Favored 'General case' 0 C--O 1.221 -0.44 0 CA-C-N 115.846 -0.615 . . . . 0.0 111.438 -179.787 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 32' ' ' LYS . . . . . 0.527 ' HA ' ' HB2' ' A' ' 35' ' ' ASP . 45.8 tttm -64.41 -28.25 69.55 Favored 'General case' 0 C--N 1.328 -0.331 0 C-N-CA 120.611 -0.436 . . . . 0.0 110.865 -175.741 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 33' ' ' MET . . . . . . . . . . . . . 8.2 tmm? -67.88 -45.53 74.22 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 121.086 0.469 . . . . 0.0 109.791 174.638 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 34' ' ' PHE . . . . . 0.587 ' HZ ' ' HE1' ' A' ' 7' ' ' PHE . 8.3 t80 -61.11 -44.11 97.85 Favored 'General case' 0 C--N 1.329 -0.315 0 N-CA-C 109.11 -0.7 . . . . 0.0 109.11 175.127 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 35' ' ' ASP . . . . . 0.527 ' HB2' ' HA ' ' A' ' 32' ' ' LYS . 0.3 OUTLIER -50.94 -66.81 0.32 Allowed 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 114.92 -1.036 . . . . 0.0 112.294 178.5 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 37.8 t70 -73.06 -25.85 61.06 Favored 'General case' 0 C--N 1.325 -0.471 0 N-CA-C 112.853 0.686 . . . . 0.0 112.853 -168.123 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 37' ' ' ASP . . . . . 0.409 ' HB3' ' HG2' ' A' ' 61' ' ' ARG . 22.8 m-20 -99.86 -38.55 8.59 Favored 'General case' 0 C--N 1.322 -0.597 0 N-CA-C 112.398 0.518 . . . . 0.0 112.398 -176.176 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 38' ' ' ILE . . . . . 0.571 HD12 ' CD2' ' A' ' 34' ' ' PHE . 16.2 mt -97.26 -39.12 8.51 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.514 0 N-CA-C 112.35 0.5 . . . . 0.0 112.35 -171.407 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 39' ' ' LEU . . . . . 0.558 ' N ' ' HD2' ' A' ' 40' ' ' PRO . 40.2 mt -63.36 -41.09 65.57 Favored Pre-proline 0 CA--C 1.539 0.535 0 N-CA-C 113.288 0.848 . . . . 0.0 113.288 -175.105 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 40' ' ' PRO . . . . . 0.558 ' HD2' ' N ' ' A' ' 39' ' ' LEU . 34.2 Cg_endo -65.14 -9.42 21.73 Favored 'Trans proline' 0 C--N 1.355 0.902 0 C-N-CA 121.632 1.555 . . . . 0.0 112.581 176.868 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 41.7 mm -100.25 -60.75 2.63 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.421 0 CA-C-N 116.417 -0.356 . . . . 0.0 111.22 -178.276 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 42' ' ' ILE . . . . . 0.436 ' HA ' HD12 ' A' ' 45' ' ' LEU . 11.6 pt -120.69 7.68 6.24 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 N-CA-C 112.21 0.448 . . . . 0.0 112.21 -176.388 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -62.8 -33.18 86.21 Favored Glycine 0 N--CA 1.452 -0.27 0 C-N-CA 120.627 -0.797 . . . . 0.0 112.569 -176.316 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -93.41 8.93 74.83 Favored Glycine 0 N--CA 1.448 -0.537 0 C-N-CA 120.839 -0.696 . . . . 0.0 112.472 -178.962 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 45' ' ' LEU . . . . . 0.494 HD11 ' HG2' ' A' ' 54' ' ' GLN . 68.7 mt -96.84 139.77 32.39 Favored 'General case' 0 N--CA 1.451 -0.399 0 N-CA-C 109.966 -0.383 . . . . 0.0 109.966 178.53 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 46' ' ' GLU . . . . . 0.447 ' O ' HG13 ' A' ' 50' ' ' ILE . 4.4 mp0 -67.3 133.56 49.91 Favored 'General case' 0 C--N 1.323 -0.585 0 N-CA-C 109.219 -0.659 . . . . 0.0 109.219 174.504 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 47' ' ' ILE . . . . . 0.44 HD13 ' CB ' ' A' ' 85' ' ' ALA . 19.3 tt -58.96 -23.19 23.41 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.612 0 N-CA-C 112.309 0.485 . . . . 0.0 112.309 -171.965 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 63.5 tt0 -91.27 -17.45 25.96 Favored 'General case' 0 C--N 1.323 -0.565 0 CA-C-O 121.124 0.488 . . . . 0.0 111.068 -178.248 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 9.9 m-20 -130.93 76.6 1.73 Allowed 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 116.079 -0.509 . . . . 0.0 110.377 -177.806 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 50' ' ' ILE . . . . . 0.447 HG13 ' O ' ' A' ' 46' ' ' GLU . 59.4 mt -117.14 136.59 53.82 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.555 0 CA-C-N 115.995 -0.548 . . . . 0.0 110.926 -178.75 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 51' ' ' GLU . . . . . 0.476 ' HA ' ' HD2' ' A' ' 52' ' ' PRO . 10.6 tp10 -66.2 118.27 51.23 Favored Pre-proline 0 C--N 1.325 -0.467 0 CA-C-N 115.357 -0.838 . . . . 0.0 110.297 176.613 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 52' ' ' PRO . . . . . 0.476 ' HD2' ' HA ' ' A' ' 51' ' ' GLU . 9.5 Cg_endo -53.54 -41.12 75.98 Favored 'Trans proline' 0 C--N 1.346 0.421 0 C-N-CA 123.41 2.74 . . . . 0.0 113.156 -178.791 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 53' ' ' MET . . . . . . . . . . . . . 52.3 mtm -75.62 -15.29 60.36 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-O 121.043 0.449 . . . . 0.0 110.619 -179.267 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 54' ' ' GLN . . . . . 0.494 ' HG2' HD11 ' A' ' 45' ' ' LEU . 41.0 tp60 -80.47 -37.25 32.21 Favored 'General case' 0 C--N 1.326 -0.445 0 N-CA-C 108.98 -0.748 . . . . 0.0 108.98 178.828 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 55' ' ' LEU . . . . . 0.443 ' O ' ' HB ' ' A' ' 58' ' ' VAL . 26.1 tp -65.83 -35.57 81.06 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 115.549 -0.75 . . . . 0.0 109.485 175.577 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 2.9 tm? -67.2 -31.67 72.22 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 115.765 -0.652 . . . . 0.0 109.636 175.144 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 22.2 tt0 -65.82 -27.37 68.2 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.16 177.496 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 58' ' ' VAL . . . . . 0.558 HG13 HG12 ' A' ' 38' ' ' ILE . 54.8 t -65.44 -52.51 50.65 Favored 'Isoleucine or valine' 0 C--O 1.236 0.374 0 CA-C-O 121.268 0.556 . . . . 0.0 110.304 171.21 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 59' ' ' ILE . . . . . . . . . . . . . 1.8 mp -56.15 -41.51 69.66 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.419 0 CA-C-N 115.885 -0.598 . . . . 0.0 110.093 176.934 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 6.1 ttt180 -76.77 -20.39 56.5 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.91 -178.472 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 61' ' ' ARG . . . . . 0.553 ' HB3' ' O ' ' A' ' 58' ' ' VAL . 0.3 OUTLIER -58.25 -43.79 88.0 Favored 'General case' 0 C--N 1.33 -0.274 0 N-CA-C 109.116 -0.698 . . . . 0.0 109.116 172.457 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 62' ' ' PHE . . . . . . . . . . . . . 96.7 m-85 -77.61 -19.0 56.24 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-N 115.369 -0.832 . . . . 0.0 111.492 177.596 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 37.7 tt0 -69.59 -39.16 77.44 Favored 'General case' 0 C--N 1.327 -0.389 0 N-CA-C 109.735 -0.469 . . . . 0.0 109.735 176.939 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 45.4 m-20 -57.73 -34.32 69.39 Favored 'General case' 0 N--CA 1.467 0.387 0 CA-C-O 121.177 0.513 . . . . 0.0 110.278 174.01 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 58.0 mtp85 -86.17 -1.0 57.02 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 115.655 -0.702 . . . . 0.0 111.08 -176.5 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 64.49 40.76 97.95 Favored Glycine 0 N--CA 1.447 -0.572 0 C-N-CA 121.072 -0.585 . . . . 0.0 112.078 -178.904 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -127.83 89.27 2.91 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-O 120.801 0.334 . . . . 0.0 110.953 179.687 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 68' ' ' MET . . . . . 0.536 ' HA ' ' CE ' ' A' ' 68' ' ' MET . 14.0 mmt -73.4 -33.92 65.24 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-O 121.083 0.468 . . . . 0.0 109.939 178.942 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 34.0 mt-10 -60.2 -50.63 72.91 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 115.528 -0.76 . . . . 0.0 110.182 177.034 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 81.3 mtt180 -68.81 -26.5 65.22 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 115.883 -0.599 . . . . 0.0 110.604 -179.579 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -69.18 -41.48 77.11 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 121.102 0.477 . . . . 0.0 110.204 176.258 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 72' ' ' ASN . . . . . . . . . . . . . 83.3 m-20 -64.0 -42.83 97.04 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 115.858 -0.61 . . . . 0.0 110.154 175.063 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 1.6 mptm? -64.33 -33.42 75.8 Favored 'General case' 0 C--N 1.332 -0.167 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.717 176.354 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -60.54 -53.64 55.02 Favored 'General case' 0 C--N 1.331 -0.235 0 N-CA-C 110.287 -0.264 . . . . 0.0 110.287 175.293 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 26.2 ttm105 -54.4 -47.41 72.78 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 115.915 -0.584 . . . . 0.0 110.78 177.005 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 18.2 ttt180 -59.21 -53.48 57.75 Favored 'General case' 0 C--N 1.332 -0.188 0 CA-C-N 115.885 -0.598 . . . . 0.0 111.414 -179.05 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 77' ' ' ARG . . . . . 0.545 ' O ' HG23 ' A' ' 81' ' ' VAL . 87.3 mtm180 -59.01 -39.47 81.97 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.396 -0.366 . . . . 0.0 111.324 -177.18 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 78' ' ' CYS . . . . . . . . . . . . . 83.8 m -60.33 -48.96 79.52 Favored 'General case' 0 C--N 1.328 -0.368 0 N-CA-C 109.672 -0.492 . . . . 0.0 109.672 175.748 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . -58.71 -37.49 89.86 Favored Glycine 0 C--N 1.334 0.469 0 C-N-CA 121.247 -0.502 . . . . 0.0 112.458 177.14 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 43.0 mt-10 -61.25 -50.37 73.32 Favored 'General case' 0 C--N 1.333 -0.138 0 CA-C-N 116.699 0.249 . . . . 0.0 110.492 175.869 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 81' ' ' VAL . . . . . 0.545 HG23 ' O ' ' A' ' 77' ' ' ARG . 47.4 t -61.28 -43.32 96.31 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.253 0 CA-C-N 116.292 -0.413 . . . . 0.0 110.422 178.959 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 82' ' ' PHE . . . . . 0.644 ' HB3' ' HB3' ' A' ' 94' ' ' ASN . 19.3 m-85 -55.8 -52.79 62.76 Favored 'General case' 0 N--CA 1.462 0.152 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.788 176.542 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 83' ' ' ARG . . . . . 0.481 ' O ' HG23 ' A' ' 87' ' ' VAL . 23.4 ttm-85 -62.6 -41.34 98.92 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.669 -178.453 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 84' ' ' TYR . . . . . 0.453 ' O ' HG22 ' A' ' 88' ' ' THR . 71.2 t80 -57.37 -43.82 83.9 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.016 -0.538 . . . . 0.0 110.238 177.557 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 85' ' ' ALA . . . . . 0.443 ' HA ' HG22 ' A' ' 88' ' ' THR . . . -69.31 -33.47 73.22 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 115.905 -0.589 . . . . 0.0 111.269 179.25 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 86' ' ' ILE . . . . . 0.586 ' HA ' ' O ' ' A' ' 91' ' ' ALA . 75.8 mt -62.43 -45.19 99.38 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.388 0 CA-C-O 120.773 0.321 . . . . 0.0 110.523 177.505 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 87' ' ' VAL . . . . . 0.481 HG23 ' O ' ' A' ' 83' ' ' ARG . 47.9 t -64.18 -41.32 92.07 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.35 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.335 -178.728 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 88' ' ' THR . . . . . 0.501 HG23 ' HG3' ' A' ' 90' ' ' ARG . 7.8 t -81.09 -9.55 59.8 Favored 'General case' 0 CA--C 1.538 0.484 0 CA-C-O 120.927 0.394 . . . . 0.0 111.303 -178.988 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . 87.12 24.71 36.37 Favored Glycine 0 CA--C 1.52 0.352 0 C-N-CA 120.656 -0.783 . . . . 0.0 113.446 175.424 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 90' ' ' ARG . . . . . 0.501 ' HG3' HG23 ' A' ' 88' ' ' THR . 50.8 mtt180 -102.85 -5.79 23.21 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-O 121.422 0.63 . . . . 0.0 109.845 177.637 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 91' ' ' ALA . . . . . 0.586 ' O ' ' HA ' ' A' ' 86' ' ' ILE . . . -150.25 164.01 36.8 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-N 115.151 -0.931 . . . . 0.0 108.768 175.431 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 66.7 mttm -136.17 -45.62 0.63 Allowed 'General case' 0 C--N 1.326 -0.447 0 CA-C-O 120.751 0.31 . . . . 0.0 110.923 -178.25 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 93' ' ' TYR . . . . . . . . . . . . . 81.4 t80 -117.7 127.76 54.24 Favored 'General case' 0 C--N 1.323 -0.562 0 N-CA-C 110.019 -0.363 . . . . 0.0 110.019 175.329 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 94' ' ' ASN . . . . . 0.644 ' HB3' ' HB3' ' A' ' 82' ' ' PHE . 0.3 OUTLIER -100.5 134.49 20.62 Favored Pre-proline 0 C--N 1.326 -0.438 0 CA-C-N 116.464 -0.334 . . . . 0.0 111.082 178.801 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 95' ' ' PRO . . . . . 0.496 ' HD3' ' HA ' ' A' ' 94' ' ' ASN . 6.9 Cg_exo -74.92 36.63 0.44 Allowed 'Trans proline' 0 CA--C 1.532 0.39 0 C-N-CA 123.448 2.765 . . . . 0.0 112.914 -179.333 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 96' ' ' ALA . . . . . 0.483 ' N ' ' HD2' ' A' ' 97' ' ' PRO . . . -68.77 -49.63 27.08 Favored Pre-proline 0 C--N 1.325 -0.464 0 CA-C-N 116.509 -0.314 . . . . 0.0 111.417 179.152 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 97' ' ' PRO . . . . . 0.483 ' HD2' ' N ' ' A' ' 96' ' ' ALA . 33.8 Cg_endo -66.1 -29.7 47.82 Favored 'Trans proline' 0 C--N 1.356 0.939 0 C-N-CA 121.724 1.616 . . . . 0.0 111.686 174.522 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 4.5 m-20 -67.19 -39.91 86.46 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 115.868 -0.605 . . . . 0.0 109.89 177.382 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 99' ' ' LEU . . . . . 0.418 ' HB2' HD23 ' A' ' 55' ' ' LEU . 3.2 tm? -54.5 -46.11 73.41 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 115.641 -0.709 . . . . 0.0 109.858 174.862 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 100' ' ' ALA . . . . . . . . . . . . . . . -65.09 -43.33 92.47 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 115.863 -0.608 . . . . 0.0 111.421 -178.937 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 101' ' ' ASP . . . . . 0.526 ' HA ' ' HD2' ' A' ' 104' ' ' LYS . 20.3 t70 -71.06 -37.25 72.51 Favored 'General case' 0 C--O 1.234 0.26 0 CA-C-O 120.881 0.372 . . . . 0.0 110.665 -177.985 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 102' ' ' ALA . . . . . 0.49 ' O ' ' HB2' ' A' ' 106' ' ' TYR . . . -64.39 -41.98 96.38 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 115.97 -0.559 . . . . 0.0 110.298 176.72 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 103' ' ' MET . . . . . . . . . . . . . 59.3 ttm -59.25 -37.46 77.64 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.006 -0.543 . . . . 0.0 110.444 176.891 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 104' ' ' LYS . . . . . 0.526 ' HD2' ' HA ' ' A' ' 101' ' ' ASP . 61.3 mttm -66.41 -56.59 10.29 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 115.959 -0.564 . . . . 0.0 111.07 177.338 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 105' ' ' GLY . . . . . . . . . . . . . . . -63.6 -31.56 81.19 Favored Glycine 0 CA--C 1.517 0.184 0 CA-C-N 115.59 -0.732 . . . . 0.0 112.775 -176.558 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 106' ' ' TYR . . . . . 0.49 ' HB2' ' O ' ' A' ' 102' ' ' ALA . 3.2 t80 -64.06 -31.02 72.06 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-O 120.971 0.415 . . . . 0.0 110.376 179.936 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 107' ' ' ARG . . . . . . . . . . . . . 87.4 mtt-85 -93.85 -0.22 55.88 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.036 -0.529 . . . . 0.0 111.218 -176.66 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 108' ' ' LYS . . . . . . . . . . . . . 67.5 mttm -84.99 -17.9 36.14 Favored 'General case' 0 C--N 1.327 -0.405 0 N-CA-C 109.064 -0.717 . . . . 0.0 109.064 171.785 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 109' ' ' LYS . . . . . . . . . . . . . 86.9 tttt 54.97 70.49 0.62 Allowed 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 114.205 -1.361 . . . . 0.0 111.984 179.047 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 110' ' ' ASN . . . . . 0.468 ' OD1' ' HB2' ' A' ' 117' ' ' HIS . 90.0 m-20 -96.74 -57.64 2.24 Favored 'General case' 0 C--N 1.322 -0.597 0 N-CA-C 108.255 -1.017 . . . . 0.0 108.255 167.791 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 111' ' ' LEU . . . . . . . . . . . . . 54.5 tp 69.79 -68.91 0.18 Allowed 'General case' 0 N--CA 1.466 0.375 0 CA-C-N 115.069 -0.969 . . . . 0.0 111.562 175.066 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 112' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -108.35 150.84 26.8 Favored 'General case' 0 C--N 1.32 -0.715 0 N-CA-C 108.654 -0.869 . . . . 0.0 108.654 -177.64 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 113' ' ' HIS . . . . . . . . . . . . . 70.2 m80 -77.96 -17.4 57.23 Favored 'General case' 0 C--N 1.322 -0.611 0 N-CA-C 111.594 0.22 . . . . 0.0 111.594 -170.295 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 114' ' ' HIS . . . . . . . . . . . . . 55.1 m80 -73.55 -18.27 61.1 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-O 121.128 0.489 . . . . 0.0 110.096 171.657 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 115' ' ' HIS . . . . . . . . . . . . . 57.2 t60 -106.98 70.2 0.79 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 115.862 -0.608 . . . . 0.0 110.127 -179.728 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 116' ' ' HIS . . . . . . . . . . . . . 37.5 t-80 -84.91 113.54 21.46 Favored 'General case' 0 C--N 1.32 -0.702 0 N-CA-C 108.568 -0.901 . . . . 0.0 108.568 175.347 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 117' ' ' HIS . . . . . 0.468 ' HB2' ' OD1' ' A' ' 110' ' ' ASN . 4.9 t60 -43.72 -56.49 3.76 Favored 'General case' 0 N--CA 1.469 0.524 0 O-C-N 124.085 0.866 . . . . 0.0 112.101 -172.206 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 118' ' ' HIS . . . . . . . . . . . . . 54.5 t-80 . . . . . 0 C--O 1.243 0.762 0 CA-C-O 118.258 -0.877 . . . . 0.0 109.614 177.329 . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 44.7 m . . . . . 0 N--CA 1.476 0.87 0 N-CA-C 110.191 -0.3 . . . . 0.0 110.191 . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 25.1 m -101.63 158.15 16.3 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-N 116.443 -0.344 . . . . 0.0 110.679 -177.637 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 3' ' ' ASN . . . . . . . . . . . . . 53.2 t-20 -103.03 145.75 29.41 Favored 'General case' 0 C--N 1.324 -0.515 0 N-CA-C 108.459 -0.941 . . . . 0.0 108.459 174.609 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 4' ' ' ASN . . . . . . . . . . . . . 85.4 m-20 -60.97 -19.72 61.41 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-O 121.131 0.491 . . . . 0.0 110.527 177.248 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 5.0 m-20 -110.76 22.39 15.43 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 115.931 -0.577 . . . . 0.0 111.415 -178.675 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 6' ' ' SER . . . . . 0.562 ' HA ' ' HA ' ' A' ' 46' ' ' GLU . 69.5 m -71.24 156.55 39.41 Favored 'General case' 0 C--N 1.33 -0.282 0 N-CA-C 109.899 -0.408 . . . . 0.0 109.899 173.408 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 7' ' ' PHE . . . . . . . . . . . . . 26.9 t80 -59.12 -50.3 74.58 Favored 'General case' 0 C--N 1.329 -0.303 0 N-CA-C 111.766 0.284 . . . . 0.0 111.766 -172.777 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 69.1 m -55.07 -40.1 69.97 Favored 'General case' 0 N--CA 1.467 0.385 0 N-CA-C 111.894 0.331 . . . . 0.0 111.894 -179.508 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -65.82 -50.53 64.29 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.989 0.423 . . . . 0.0 111.004 -177.881 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 10' ' ' ILE . . . . . 0.5 HG12 ' HD3' ' A' ' 90' ' ' ARG . 55.9 mt -70.21 -38.04 73.37 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 CA-C-N 115.896 -0.593 . . . . 0.0 110.655 -179.153 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 11' ' ' TYR . . . . . 0.563 ' OH ' ' HA ' ' A' ' 31' ' ' ALA . 51.6 t80 -56.83 -43.29 80.9 Favored 'General case' 0 C--O 1.223 -0.33 0 CA-C-N 116.058 -0.519 . . . . 0.0 110.393 175.262 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 81.9 tttt -70.15 -36.57 74.83 Favored 'General case' 0 C--N 1.325 -0.478 0 C-N-CA 120.979 -0.288 . . . . 0.0 110.787 -177.75 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 41.6 tt0 -64.12 -42.87 96.68 Favored 'General case' 0 C--O 1.234 0.266 0 N-CA-C 109.508 -0.553 . . . . 0.0 109.508 176.04 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 14' ' ' TRP . . . . . . . . . . . . . 58.4 t90 -64.96 -49.39 70.49 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 115.601 -0.727 . . . . 0.0 110.711 175.727 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 15' ' ' TYR . . . . . . . . . . . . . 6.8 t80 -55.81 -48.36 75.56 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 115.985 -0.552 . . . . 0.0 111.268 178.514 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 16' ' ' GLU . . . . . 0.404 ' O ' ' HG3' ' A' ' 20' ' ' GLN . 28.9 tt0 -65.26 -33.45 76.03 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-O 121.009 0.433 . . . . 0.0 110.602 -177.116 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 17' ' ' HIS . . . . . . . . . . . . . 35.7 t60 -74.42 -40.4 62.02 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 115.747 -0.661 . . . . 0.0 110.435 178.727 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 29.5 mmtm -72.02 -28.51 63.43 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.15 177.922 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 37.0 ttpt -67.3 -15.27 63.59 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-O 121.109 0.48 . . . . 0.0 110.532 176.903 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 20' ' ' GLN . . . . . 0.404 ' HG3' ' O ' ' A' ' 16' ' ' GLU . 95.8 mt-30 -78.52 -8.68 58.82 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.098 -0.501 . . . . 0.0 109.923 175.783 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 79.3 t -113.8 -41.98 3.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 115.839 -0.619 . . . . 0.0 110.686 179.479 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 22' ' ' TRP . . . . . . . . . . . . . 30.7 m0 -78.59 168.45 19.75 Favored 'General case' 0 C--N 1.324 -0.524 0 CA-C-N 116.007 -0.542 . . . . 0.0 111.275 -179.23 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 40.2 m -77.08 151.44 35.47 Favored 'General case' 0 C--N 1.323 -0.565 0 N-CA-C 109.091 -0.707 . . . . 0.0 109.091 171.669 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 14.6 p -60.21 -37.35 73.17 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.423 0 CA-C-O 120.545 0.212 . . . . 0.0 111.188 -175.839 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -66.76 -44.72 88.69 Favored Glycine 0 N--CA 1.447 -0.599 0 C-N-CA 120.919 -0.658 . . . . 0.0 111.785 179.354 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 26' ' ' TYR . . . . . . . . . . . . . 88.6 t80 -67.17 -41.7 85.52 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-O 120.635 0.255 . . . . 0.0 110.509 179.623 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -64.52 -43.9 92.56 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 116.289 -0.414 . . . . 0.0 110.799 -179.313 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 51.7 m -66.66 -45.82 77.68 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.836 179.243 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 15.0 tp10 -63.05 -35.62 80.85 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-O 120.962 0.411 . . . . 0.0 110.534 -179.185 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 9.8 tt -68.01 -51.37 47.84 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-N 115.99 -0.55 . . . . 0.0 110.272 177.64 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 31' ' ' ALA . . . . . 0.563 ' HA ' ' OH ' ' A' ' 11' ' ' TYR . . . -63.22 -33.82 76.32 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.553 -179.571 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 87.0 tttt -62.38 -51.85 65.95 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-N 115.865 -0.607 . . . . 0.0 110.358 175.017 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 33' ' ' MET . . . . . . . . . . . . . 56.1 ttp -56.15 -50.3 71.51 Favored 'General case' 0 C--O 1.235 0.329 0 CA-C-N 115.716 -0.675 . . . . 0.0 110.727 177.658 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 34' ' ' PHE . . . . . 0.495 ' O ' ' HB ' ' A' ' 38' ' ' ILE . 4.1 t80 -60.17 -45.92 91.46 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-N 115.103 -0.953 . . . . 0.0 110.378 -179.108 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 35' ' ' ASP . . . . . 0.575 ' HA ' ' HB2' ' A' ' 39' ' ' LEU . 20.1 t70 -64.42 -50.36 67.89 Favored 'General case' 0 C--N 1.321 -0.634 0 CA-C-N 116.356 -0.384 . . . . 0.0 111.777 -177.59 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 8.3 m-20 -62.73 -38.96 92.54 Favored 'General case' 0 C--N 1.325 -0.462 0 N-CA-C 113.092 0.775 . . . . 0.0 113.092 -174.073 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 2.3 m-20 -106.99 -18.51 13.89 Favored 'General case' 0 C--N 1.328 -0.365 0 N-CA-C 113.24 0.83 . . . . 0.0 113.24 -173.029 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 38' ' ' ILE . . . . . 0.563 HG12 HG13 ' A' ' 58' ' ' VAL . 13.2 mt -110.37 -37.5 3.12 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.436 0 O-C-N 122.117 -0.364 . . . . 0.0 111.927 -174.363 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 39' ' ' LEU . . . . . 0.575 ' HB2' ' HA ' ' A' ' 35' ' ' ASP . 0.2 OUTLIER -59.47 -47.76 97.21 Favored Pre-proline 0 CA--C 1.539 0.537 0 N-CA-C 112.417 0.525 . . . . 0.0 112.417 -174.038 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 40' ' ' PRO . . . . . 0.517 ' HD2' ' N ' ' A' ' 39' ' ' LEU . 32.8 Cg_endo -64.58 -8.3 16.91 Favored 'Trans proline' 0 C--N 1.354 0.867 0 C-N-CA 121.982 1.788 . . . . 0.0 113.222 179.181 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 41' ' ' ILE . . . . . 0.461 HG22 HG23 ' A' ' 42' ' ' ILE . 49.0 mt -101.62 -55.04 6.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.693 -0.231 . . . . 0.0 111.594 -177.096 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 42' ' ' ILE . . . . . 0.461 HG23 HG22 ' A' ' 41' ' ' ILE . 9.1 pt -127.68 3.23 3.4 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.256 0 N-CA-C 112.459 0.54 . . . . 0.0 112.459 -177.458 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 43' ' ' GLY . . . . . 0.514 ' HA3' HD13 ' A' ' 39' ' ' LEU . . . -59.8 -41.53 97.66 Favored Glycine 0 N--CA 1.452 -0.293 0 C-N-CA 120.536 -0.84 . . . . 0.0 112.433 -176.103 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -85.12 7.85 73.36 Favored Glycine 0 N--CA 1.446 -0.642 0 C-N-CA 120.824 -0.703 . . . . 0.0 113.081 -179.391 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 45' ' ' LEU . . . . . 0.404 HD11 ' HG2' ' A' ' 54' ' ' GLN . 91.6 mt -93.38 169.07 10.64 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 117.36 0.58 . . . . 0.0 110.312 179.652 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 46' ' ' GLU . . . . . 0.562 ' HA ' ' HA ' ' A' ' 6' ' ' SER . 46.5 mt-10 -91.86 142.35 27.67 Favored 'General case' 0 C--N 1.321 -0.637 0 N-CA-C 109.287 -0.635 . . . . 0.0 109.287 177.562 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 47' ' ' ILE . . . . . 0.443 HD13 ' HB2' ' A' ' 85' ' ' ALA . 12.4 tt -69.24 -14.98 19.11 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.554 0 CA-C-O 121.219 0.533 . . . . 0.0 110.755 -176.259 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 69.0 mt-30 -92.67 -8.8 43.0 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 115.888 -0.596 . . . . 0.0 109.97 177.68 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 37.8 t70 -138.51 78.85 1.7 Allowed 'General case' 0 C--N 1.326 -0.429 0 CA-C-O 121.204 0.526 . . . . 0.0 110.808 -173.908 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 50' ' ' ILE . . . . . . . . . . . . . 42.7 mt -131.53 118.14 38.18 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 CA-C-N 115.741 -0.663 . . . . 0.0 110.035 176.135 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 51' ' ' GLU . . . . . 0.499 ' HG3' ' HB2' ' A' ' 54' ' ' GLN . 5.4 pt-20 -75.2 140.36 73.03 Favored Pre-proline 0 C--N 1.315 -0.9 0 CA-C-N 115.357 -0.838 . . . . 0.0 110.39 -179.851 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 52' ' ' PRO . . . . . 0.802 ' HB3' ' HB3' ' A' ' 98' ' ' ASP . 10.1 Cg_endo -52.4 -40.27 71.51 Favored 'Trans proline' 0 C--N 1.344 0.317 0 C-N-CA 123.217 2.611 . . . . 0.0 113.048 -176.202 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 53' ' ' MET . . . . . . . . . . . . . 84.4 mmm -63.98 -32.19 73.64 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.723 0.297 . . . . 0.0 111.314 -179.522 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 54' ' ' GLN . . . . . 0.499 ' HB2' ' HG3' ' A' ' 51' ' ' GLU . 38.3 tp60 -77.54 -39.2 46.78 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-O 121.4 0.619 . . . . 0.0 109.671 -178.248 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 55' ' ' LEU . . . . . 0.652 HD23 ' HB2' ' A' ' 99' ' ' LEU . 25.6 tp -69.03 -38.41 79.15 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 115.711 -0.677 . . . . 0.0 110.056 178.61 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 56' ' ' LEU . . . . . 0.498 HD22 ' HB ' ' A' ' 59' ' ' ILE . 2.2 tm? -70.86 -28.19 64.39 Favored 'General case' 0 C--N 1.328 -0.328 0 N-CA-C 109.785 -0.45 . . . . 0.0 109.785 175.814 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 9.0 tp10 -58.83 -39.26 80.68 Favored 'General case' 0 C--N 1.327 -0.388 0 N-CA-C 109.433 -0.58 . . . . 0.0 109.433 176.553 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 58' ' ' VAL . . . . . 0.635 ' O ' ' HB3' ' A' ' 61' ' ' ARG . 56.1 t -60.11 -55.3 25.06 Favored 'Isoleucine or valine' 0 C--O 1.236 0.383 0 CA-C-O 121.487 0.661 . . . . 0.0 111.127 172.986 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 59' ' ' ILE . . . . . 0.498 ' HB ' HD22 ' A' ' 56' ' ' LEU . 50.8 mm -58.03 -48.07 85.18 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.557 0 CA-C-N 115.438 -0.801 . . . . 0.0 110.901 -177.971 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 60' ' ' ARG . . . . . 0.455 HH11 ' HD2' ' A' ' 60' ' ' ARG . 22.9 ttp85 -68.11 -29.04 67.87 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 115.501 -0.772 . . . . 0.0 110.547 -178.573 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 61' ' ' ARG . . . . . 0.635 ' HB3' ' O ' ' A' ' 58' ' ' VAL . 7.4 tpt180 -53.38 -45.48 69.28 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.164 -0.471 . . . . 0.0 109.885 173.921 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 62' ' ' PHE . . . . . . . . . . . . . 80.2 m-85 -68.97 -32.97 72.93 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 116.26 -0.427 . . . . 0.0 111.412 176.825 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 44.0 mt-10 -68.86 -39.16 80.02 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.695 -0.229 . . . . 0.0 110.951 178.823 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 2.0 m-20 -59.47 -31.17 69.09 Favored 'General case' 0 N--CA 1.464 0.254 0 CA-C-O 120.96 0.41 . . . . 0.0 110.504 174.08 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 65' ' ' ARG . . . . . 0.632 ' HG2' ' O ' ' A' ' 61' ' ' ARG . 36.4 mmm-85 -75.86 -25.51 56.25 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 115.735 -0.666 . . . . 0.0 110.366 178.29 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 90.87 8.3 65.3 Favored Glycine 0 N--CA 1.447 -0.604 0 N-CA-C 111.011 -0.836 . . . . 0.0 111.011 -174.53 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -90.19 82.97 5.98 Favored 'General case' 0 N--CA 1.448 -0.531 0 CA-C-O 120.978 0.418 . . . . 0.0 110.28 -179.261 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 68' ' ' MET . . . . . . . . . . . . . 33.0 mmm -69.72 -32.93 71.77 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 115.9 -0.591 . . . . 0.0 110.748 -174.082 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 40.8 mt-10 -63.43 -48.35 78.12 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-O 121.204 0.526 . . . . 0.0 109.806 177.277 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 39.1 mtt180 -70.63 -32.26 69.51 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-N 115.436 -0.802 . . . . 0.0 110.71 -175.297 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -62.04 -44.72 96.09 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-O 121.092 0.473 . . . . 0.0 110.549 176.34 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 72' ' ' ASN . . . . . . . . . . . . . 28.8 m-80 -72.49 -38.92 68.02 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 116.002 -0.545 . . . . 0.0 110.779 178.293 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 92.3 mttt -60.31 -40.78 91.76 Favored 'General case' 0 C--O 1.236 0.357 0 CA-C-N 116.353 -0.385 . . . . 0.0 110.775 177.353 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -58.02 -51.73 68.47 Favored 'General case' 0 N--CA 1.454 -0.255 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.108 176.63 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 75' ' ' ARG . . . . . 0.582 ' HE ' ' HE1' ' A' ' 103' ' ' MET . 33.6 ttm180 -56.36 -49.42 74.47 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 115.792 -0.64 . . . . 0.0 111.018 -178.289 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 85.0 mtt180 -61.17 -52.04 66.49 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 115.801 -0.636 . . . . 0.0 111.664 -176.627 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 77' ' ' ARG . . . . . 0.56 ' O ' HG23 ' A' ' 81' ' ' VAL . 51.8 mtt180 -83.89 -20.26 33.36 Favored 'General case' 0 C--N 1.327 -0.398 0 N-CA-C 112.784 0.661 . . . . 0.0 112.784 -171.63 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 78' ' ' CYS . . . . . . . . . . . . . 89.8 m -66.74 -44.57 81.14 Favored 'General case' 0 C--N 1.329 -0.317 0 N-CA-C 109.072 -0.714 . . . . 0.0 109.072 170.229 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . -59.92 -32.95 76.6 Favored Glycine 0 N--CA 1.447 -0.616 0 CA-C-N 115.867 -0.606 . . . . 0.0 112.083 175.457 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 32.0 tt0 -68.95 -40.9 78.68 Favored 'General case' 0 N--CA 1.455 -0.215 0 C-N-CA 121.161 -0.216 . . . . 0.0 110.436 177.12 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 81' ' ' VAL . . . . . 0.56 HG23 ' O ' ' A' ' 77' ' ' ARG . 93.2 t -60.39 -45.95 95.85 Favored 'Isoleucine or valine' 0 C--O 1.232 0.158 0 CA-C-O 120.929 0.395 . . . . 0.0 110.147 176.311 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 82' ' ' PHE . . . . . 0.457 ' O ' HG13 ' A' ' 86' ' ' ILE . 49.1 m-85 -57.91 -45.04 87.12 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 116.071 -0.513 . . . . 0.0 110.758 176.622 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 15.3 ttm180 -68.22 -39.61 82.33 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.11 -0.496 . . . . 0.0 110.623 -179.663 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 84' ' ' TYR . . . . . . . . . . . . . 55.8 t80 -56.25 -44.79 80.02 Favored 'General case' 0 CA--C 1.517 -0.318 0 CA-C-N 116.12 -0.491 . . . . 0.0 109.881 175.546 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 85' ' ' ALA . . . . . 0.443 ' HB2' HD13 ' A' ' 47' ' ' ILE . . . -63.0 -38.61 91.89 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-N 115.753 -0.658 . . . . 0.0 111.115 179.325 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 86' ' ' ILE . . . . . 0.457 HG13 ' O ' ' A' ' 82' ' ' PHE . 76.5 mt -62.28 -44.0 98.65 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.529 0 CA-C-O 120.964 0.411 . . . . 0.0 110.505 177.624 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 87' ' ' VAL . . . . . . . . . . . . . 62.1 t -68.98 -32.93 56.49 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.294 0 CA-C-N 116.089 -0.505 . . . . 0.0 111.253 179.531 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 88' ' ' THR . . . . . 0.411 ' OG1' ' HA ' ' A' ' 85' ' ' ALA . 16.9 p -86.93 3.22 46.55 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-O 121.114 0.483 . . . . 0.0 111.266 -179.689 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . 68.39 31.53 74.28 Favored Glycine 0 N--CA 1.449 -0.444 0 CA-C-N 115.96 -0.564 . . . . 0.0 112.533 178.351 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 90' ' ' ARG . . . . . 0.5 ' HD3' HG12 ' A' ' 10' ' ' ILE . 95.8 mtt-85 -104.56 -23.9 13.06 Favored 'General case' 0 C--N 1.321 -0.643 0 CA-C-O 120.8 0.333 . . . . 0.0 110.922 -179.933 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . -132.95 155.74 48.55 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-O 120.932 0.396 . . . . 0.0 111.046 -178.04 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 82.0 mttt -109.54 -64.8 1.21 Allowed 'General case' 0 C--N 1.325 -0.494 0 CA-C-N 115.614 -0.721 . . . . 0.0 109.845 -179.32 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 93' ' ' TYR . . . . . . . . . . . . . 56.3 t80 -114.61 130.45 56.78 Favored 'General case' 0 C--N 1.323 -0.567 0 CA-C-N 115.345 -0.843 . . . . 0.0 109.424 -179.781 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 94' ' ' ASN . . . . . 0.492 ' HA ' ' HD3' ' A' ' 95' ' ' PRO . 22.1 p-10 -102.74 131.36 22.38 Favored Pre-proline 0 C--N 1.32 -0.675 0 CA-C-O 120.735 0.302 . . . . 0.0 110.305 178.962 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 95' ' ' PRO . . . . . 0.492 ' HD3' ' HA ' ' A' ' 94' ' ' ASN . 6.5 Cg_exo -73.89 29.08 0.32 Allowed 'Trans proline' 0 C--N 1.343 0.284 0 C-N-CA 123.31 2.674 . . . . 0.0 113.177 -177.321 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 96' ' ' ALA . . . . . 0.563 ' HB3' ' HD3' ' A' ' 97' ' ' PRO . . . -63.21 -48.21 83.69 Favored Pre-proline 0 C--N 1.324 -0.509 0 CA-C-N 116.687 -0.233 . . . . 0.0 111.409 178.591 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 97' ' ' PRO . . . . . 0.563 ' HD3' ' HB3' ' A' ' 96' ' ' ALA . 53.1 Cg_exo -57.99 -39.18 88.29 Favored 'Trans proline' 0 C--N 1.357 0.984 0 C-N-CA 121.9 1.734 . . . . 0.0 112.313 174.708 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 98' ' ' ASP . . . . . 0.802 ' HB3' ' HB3' ' A' ' 52' ' ' PRO . 3.7 m-20 -66.66 -40.23 88.53 Favored 'General case' 0 CA--C 1.517 -0.317 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.709 178.385 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 99' ' ' LEU . . . . . 0.652 ' HB2' HD23 ' A' ' 55' ' ' LEU . 2.9 tm? -54.68 -49.2 71.22 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 115.937 -0.574 . . . . 0.0 110.129 176.822 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 100' ' ' ALA . . . . . . . . . . . . . . . -64.35 -42.68 96.1 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 116.114 -0.494 . . . . 0.0 111.265 -178.545 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 11.4 t70 -71.15 -45.59 63.21 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.328 -0.397 . . . . 0.0 111.143 -175.495 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -63.55 -38.27 90.48 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 116.032 -0.531 . . . . 0.0 110.659 179.919 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 103' ' ' MET . . . . . 0.582 ' HE1' ' HE ' ' A' ' 75' ' ' ARG . 47.8 ttm -58.58 -43.43 89.45 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.026 -0.534 . . . . 0.0 110.426 177.638 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 104' ' ' LYS . . . . . . . . . . . . . 23.0 tptm -69.66 -42.57 74.03 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-N 115.575 -0.739 . . . . 0.0 110.808 -179.211 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 105' ' ' GLY . . . . . 0.589 ' HA2' ' HE3' ' A' ' 108' ' ' LYS . . . -72.77 -39.1 56.09 Favored Glycine 0 N--CA 1.45 -0.371 0 CA-C-N 115.853 -0.612 . . . . 0.0 113.137 -176.287 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 106' ' ' TYR . . . . . . . . . . . . . 88.0 t80 -57.61 -40.84 80.03 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-O 120.821 0.343 . . . . 0.0 111.88 -176.9 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 107' ' ' ARG . . . . . 0.451 ' HG3' ' O ' ' A' ' 103' ' ' MET . 77.2 mtt-85 -68.01 -13.91 62.55 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.336 -0.393 . . . . 0.0 111.706 -173.634 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 108' ' ' LYS . . . . . 0.589 ' HE3' ' HA2' ' A' ' 105' ' ' GLY . 9.8 mtmp? -75.99 -17.35 59.73 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-O 120.828 0.347 . . . . 0.0 111.013 -178.426 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 109' ' ' LYS . . . . . . . . . . . . . 6.5 ttpm? -86.98 -0.77 57.16 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 121.41 0.624 . . . . 0.0 110.256 179.75 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 110' ' ' ASN . . . . . . . . . . . . . 64.4 t30 -111.12 105.91 14.79 Favored 'General case' 0 C--N 1.322 -0.604 0 N-CA-C 109.339 -0.615 . . . . 0.0 109.339 174.753 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 111' ' ' LEU . . . . . . . . . . . . . 47.3 tp -74.42 -48.71 26.04 Favored 'General case' 0 C--N 1.321 -0.674 0 CA-C-N 116.056 -0.52 . . . . 0.0 111.005 -176.608 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 112' ' ' GLU . . . . . . . . . . . . . 41.1 mt-10 -102.62 127.65 49.63 Favored 'General case' 0 C--N 1.321 -0.644 0 CA-C-N 116.093 -0.503 . . . . 0.0 109.782 -177.556 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 113' ' ' HIS . . . . . . . . . . . . . 46.7 m170 -64.46 -27.59 69.09 Favored 'General case' 0 N--CA 1.464 0.262 0 CA-C-O 121.186 0.517 . . . . 0.0 110.398 -176.138 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 114' ' ' HIS . . . . . . . . . . . . . 47.0 m-70 -108.85 99.94 9.22 Favored 'General case' 0 C--N 1.321 -0.654 0 N-CA-C 108.668 -0.864 . . . . 0.0 108.668 169.239 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 115' ' ' HIS . . . . . . . . . . . . . 6.1 t-160 -61.98 -37.25 84.1 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-N 115.446 -0.797 . . . . 0.0 109.646 -176.398 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 116' ' ' HIS . . . . . . . . . . . . . 76.6 t60 -81.56 129.49 34.7 Favored 'General case' 0 N--CA 1.449 -0.506 0 CA-C-N 115.771 -0.649 . . . . 0.0 109.458 174.213 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 117' ' ' HIS . . . . . . . . . . . . . 12.3 m170 -81.95 153.76 26.1 Favored 'General case' 0 C--N 1.322 -0.606 0 CA-C-O 121.039 0.447 . . . . 0.0 110.898 -176.764 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 118' ' ' HIS . . . . . . . . . . . . . 64.0 m-70 . . . . . 0 C--O 1.245 0.846 0 CA-C-O 118.372 -0.823 . . . . 0.0 109.853 -177.107 . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 3.3 p . . . . . 0 N--CA 1.474 0.762 0 CA-C-O 121.095 0.474 . . . . 0.0 110.822 . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 2' ' ' SER . . . . . 0.476 ' HB3' ' HB2' ' A' ' 13' ' ' GLU . 34.0 p -95.97 117.69 31.13 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 116.073 -0.512 . . . . 0.0 110.263 177.733 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 3' ' ' ASN . . . . . . . . . . . . . 31.3 p-10 -106.16 -8.33 17.46 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-O 121.014 0.435 . . . . 0.0 110.613 -179.182 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 4' ' ' ASN . . . . . . . . . . . . . 5.1 m-20 -90.98 165.32 13.61 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.176 176.623 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 86.0 m-20 -108.83 7.43 26.17 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-O 121.173 0.511 . . . . 0.0 110.107 177.366 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 6' ' ' SER . . . . . 0.459 ' HA ' ' HA ' ' A' ' 46' ' ' GLU . 6.9 m -76.9 153.27 34.86 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-N 115.686 -0.688 . . . . 0.0 110.371 -179.388 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 7' ' ' PHE . . . . . . . . . . . . . 46.3 t80 -60.14 -46.81 88.4 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.299 -0.409 . . . . 0.0 111.172 -175.884 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 68.0 m -59.87 -35.21 74.32 Favored 'General case' 0 C--N 1.331 -0.206 0 N-CA-C 111.612 0.227 . . . . 0.0 111.612 -178.326 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -64.28 -50.38 68.11 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-O 120.856 0.36 . . . . 0.0 111.004 -179.639 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 55.5 mt -73.09 -31.46 35.13 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.412 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.433 -179.286 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -62.25 -39.3 92.41 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.093 173.403 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 86.3 tttt -69.57 -42.03 75.05 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 115.902 -0.59 . . . . 0.0 110.08 178.865 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 13' ' ' GLU . . . . . 0.476 ' HB2' ' HB3' ' A' ' 2' ' ' SER . 46.9 tp10 -59.39 -46.13 89.54 Favored 'General case' 0 C--O 1.236 0.384 0 CA-C-O 121.4 0.619 . . . . 0.0 109.991 175.375 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 14' ' ' TRP . . . . . 0.453 ' HZ2' ' HD2' ' A' ' 77' ' ' ARG . 44.9 t90 -60.3 -54.19 48.67 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 114.993 -1.003 . . . . 0.0 110.526 177.349 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 15' ' ' TYR . . . . . . . . . . . . . 22.2 t80 -55.77 -46.89 77.83 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.314 -0.403 . . . . 0.0 111.311 179.225 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 1.4 tm-20 -53.71 -47.85 70.15 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 121.083 0.468 . . . . 0.0 110.697 -177.088 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 17' ' ' HIS . . . . . . . . . . . . . 6.6 m-70 -83.22 -38.95 21.56 Favored 'General case' 0 C--N 1.321 -0.64 0 CA-C-N 116.113 -0.494 . . . . 0.0 111.104 -175.314 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 25.6 tptp -71.87 -21.66 61.62 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 116.462 -0.335 . . . . 0.0 111.276 -175.143 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 16.0 pttm -69.03 -12.16 61.43 Favored 'General case' 0 C--N 1.331 -0.202 0 CA-C-O 120.774 0.321 . . . . 0.0 110.696 -179.229 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 95.3 mt-30 -78.04 -25.91 48.08 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.965 0.412 . . . . 0.0 110.273 176.876 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 27.6 t -87.03 -29.37 5.72 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.389 0 CA-C-O 121.401 0.62 . . . . 0.0 110.02 178.88 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 22' ' ' TRP . . . . . . . . . . . . . 30.2 m0 -94.71 178.5 5.57 Favored 'General case' 0 C--N 1.323 -0.557 0 CA-C-N 115.803 -0.635 . . . . 0.0 110.408 177.277 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 43.8 m -87.96 143.86 26.87 Favored 'General case' 0 C--N 1.318 -0.785 0 N-CA-C 108.63 -0.878 . . . . 0.0 108.63 170.118 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 11.2 p -58.35 -33.56 47.97 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.383 0 O-C-N 123.12 0.263 . . . . 0.0 111.498 -172.949 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -62.13 -55.35 28.43 Favored Glycine 0 N--CA 1.45 -0.417 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.002 178.324 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 26' ' ' TYR . . . . . . . . . . . . . 70.5 t80 -68.75 -33.94 74.75 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.561 0.219 . . . . 0.0 110.917 179.855 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -58.6 -49.47 77.35 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-O 120.843 0.354 . . . . 0.0 110.535 178.147 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 9.2 m -70.71 -31.13 67.88 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.722 179.096 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 39.5 tt0 -65.59 -47.0 77.25 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 121.094 0.473 . . . . 0.0 110.249 176.823 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 10.3 tt -64.18 -37.93 89.24 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 115.722 -0.672 . . . . 0.0 109.721 176.771 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -62.73 -44.18 96.89 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 115.967 -0.56 . . . . 0.0 110.636 176.756 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 60.2 tttp -68.09 -31.32 70.86 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.384 -0.371 . . . . 0.0 110.586 179.003 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 33' ' ' MET . . . . . . . . . . . . . 11.9 tmm? -64.48 -52.55 57.32 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.049 174.905 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 34' ' ' PHE . . . . . 0.453 ' CG ' HD12 ' A' ' 38' ' ' ILE . 3.7 m-85 -56.67 -39.76 74.33 Favored 'General case' 0 N--CA 1.462 0.15 0 CA-C-N 116.015 -0.539 . . . . 0.0 110.196 173.883 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 35' ' ' ASP . . . . . 0.783 ' HA ' ' HG ' ' A' ' 39' ' ' LEU . 9.7 t70 -60.24 -67.05 0.43 Allowed 'General case' 0 C--N 1.324 -0.512 0 CA-C-N 115.268 -0.878 . . . . 0.0 111.382 -179.262 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 30.5 t70 -62.69 -36.28 82.42 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-N 115.553 -0.749 . . . . 0.0 112.519 -167.505 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 45.0 m-20 -100.93 -52.54 3.27 Favored 'General case' 0 C--N 1.324 -0.533 0 C-N-CA 120.743 -0.383 . . . . 0.0 111.942 -175.603 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 38' ' ' ILE . . . . . 0.571 HG12 HG13 ' A' ' 58' ' ' VAL . 15.8 mt -78.54 -35.01 18.43 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.641 0 N-CA-C 112.536 0.569 . . . . 0.0 112.536 -169.485 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 39' ' ' LEU . . . . . 0.783 ' HG ' ' HA ' ' A' ' 35' ' ' ASP . 19.6 mt -64.75 -47.19 75.84 Favored Pre-proline 0 CA--C 1.534 0.339 0 N-CA-C 113.043 0.757 . . . . 0.0 113.043 -174.068 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 40' ' ' PRO . . . . . 0.499 ' HD2' ' N ' ' A' ' 39' ' ' LEU . 26.7 Cg_endo -63.44 -15.57 49.27 Favored 'Trans proline' 0 C--N 1.353 0.808 0 C-N-CA 121.603 1.535 . . . . 0.0 112.546 176.857 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 41' ' ' ILE . . . . . 0.692 HG22 HG23 ' A' ' 42' ' ' ILE . 57.6 mt -91.07 -61.33 1.99 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 116.529 -0.305 . . . . 0.0 110.929 -179.171 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 42' ' ' ILE . . . . . 0.692 HG23 HG22 ' A' ' 41' ' ' ILE . 7.8 pt -130.74 -3.09 2.33 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.24 0 N-CA-C 112.702 0.63 . . . . 0.0 112.702 -177.263 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 43' ' ' GLY . . . . . 0.569 ' HA3' ' HA ' ' A' ' 39' ' ' LEU . . . -60.54 -34.75 87.1 Favored Glycine 0 N--CA 1.453 -0.176 0 C-N-CA 120.354 -0.927 . . . . 0.0 112.527 -176.485 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -85.35 4.65 85.31 Favored Glycine 0 N--CA 1.445 -0.707 0 C-N-CA 120.636 -0.792 . . . . 0.0 112.612 179.757 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 88.4 mt -94.97 169.37 10.18 Favored 'General case' 0 N--CA 1.449 -0.498 0 CA-C-O 120.991 0.424 . . . . 0.0 110.443 -179.933 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 46' ' ' GLU . . . . . 0.466 ' HG2' ' H ' ' A' ' 48' ' ' GLN . 40.0 tt0 -87.25 138.3 31.6 Favored 'General case' 0 C--N 1.32 -0.717 0 N-CA-C 109.299 -0.63 . . . . 0.0 109.299 177.789 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 47' ' ' ILE . . . . . 0.517 HD11 ' HA ' ' A' ' 82' ' ' PHE . 15.7 tt -64.05 -20.87 27.6 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.421 0 CA-C-O 121.133 0.492 . . . . 0.0 111.4 -173.754 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 48' ' ' GLN . . . . . 0.466 ' H ' ' HG2' ' A' ' 46' ' ' GLU . 79.7 mt-30 -85.42 -16.05 41.01 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 116.09 -0.505 . . . . 0.0 111.37 179.47 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 17.9 t70 -136.13 84.22 2.06 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-O 121.119 0.485 . . . . 0.0 110.935 -175.268 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 50' ' ' ILE . . . . . . . . . . . . . 78.9 mt -130.67 132.46 64.27 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.662 0 CA-C-N 115.696 -0.684 . . . . 0.0 109.741 176.324 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 37.7 mt-10 -71.38 140.04 84.65 Favored Pre-proline 0 C--N 1.327 -0.391 0 CA-C-N 116.665 -0.243 . . . . 0.0 110.571 -179.517 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 52' ' ' PRO . . . . . 0.694 ' HB3' ' HB3' ' A' ' 98' ' ' ASP . 41.4 Cg_exo -57.27 -34.69 98.28 Favored 'Trans proline' 0 C--N 1.341 0.172 0 C-N-CA 122.477 2.118 . . . . 0.0 111.177 174.457 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 53' ' ' MET . . . . . . . . . . . . . 89.4 mtp -66.32 -36.03 81.9 Favored 'General case' 0 C--O 1.223 -0.294 0 CA-C-N 115.552 -0.749 . . . . 0.0 110.621 178.506 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 77.8 mt-30 -75.32 -39.18 59.77 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 116.255 -0.43 . . . . 0.0 111.196 -178.803 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 21.7 tp -66.49 -33.92 76.76 Favored 'General case' 0 C--N 1.323 -0.573 0 N-CA-C 109.269 -0.641 . . . . 0.0 109.269 176.399 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 2.6 tm? -70.3 -36.17 74.17 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 115.821 -0.627 . . . . 0.0 109.787 174.777 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 57' ' ' GLU . . . . . 0.459 ' CD ' HH21 ' A' ' 60' ' ' ARG . 5.9 tp10 -61.38 -34.26 75.04 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 120.941 0.401 . . . . 0.0 109.945 177.886 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 58' ' ' VAL . . . . . 0.571 HG13 HG12 ' A' ' 38' ' ' ILE . 61.7 t -60.54 -55.49 24.06 Favored 'Isoleucine or valine' 0 C--O 1.236 0.35 0 CA-C-O 121.502 0.668 . . . . 0.0 110.352 173.801 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 59' ' ' ILE . . . . . . . . . . . . . 1.7 mp -57.89 -45.34 87.57 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.57 0 CA-C-N 115.398 -0.819 . . . . 0.0 110.521 178.887 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 60' ' ' ARG . . . . . 0.459 HH21 ' CD ' ' A' ' 57' ' ' GLU . 13.8 ttp180 -69.92 -24.94 63.45 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 115.875 -0.602 . . . . 0.0 110.758 -177.923 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 61' ' ' ARG . . . . . 0.448 ' HB3' ' O ' ' A' ' 58' ' ' VAL . 16.1 tpt180 -60.39 -42.94 96.96 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.062 -0.517 . . . . 0.0 109.61 174.943 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 62' ' ' PHE . . . . . . . . . . . . . 93.9 m-85 -73.66 -32.22 63.87 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 115.816 -0.629 . . . . 0.0 110.994 176.399 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 41.2 mt-10 -68.91 -20.67 64.24 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.482 -0.326 . . . . 0.0 111.425 179.214 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 18.4 t70 -63.66 -41.05 98.25 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 121.128 0.49 . . . . 0.0 110.524 176.695 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 80.4 mtm-85 -87.48 -15.99 36.06 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-N 115.865 -0.607 . . . . 0.0 110.265 179.172 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 92.78 19.75 36.23 Favored Glycine 0 N--CA 1.452 -0.293 0 C-N-CA 120.97 -0.633 . . . . 0.0 112.511 177.209 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -82.79 77.41 9.54 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-O 120.888 0.375 . . . . 0.0 110.568 -179.647 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 68' ' ' MET . . . . . 0.549 ' HA ' ' CE ' ' A' ' 68' ' ' MET . 7.0 mmt -60.23 -42.16 94.62 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 115.999 -0.546 . . . . 0.0 111.377 -177.29 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 27.4 mt-10 -63.36 -46.31 87.13 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-N 115.979 -0.555 . . . . 0.0 110.4 -177.897 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 95.0 mtt180 -77.35 -26.49 52.07 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 115.852 -0.613 . . . . 0.0 111.283 -176.567 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -67.37 -47.66 69.73 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 121.054 0.454 . . . . 0.0 110.371 176.413 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 72' ' ' ASN . . . . . . . . . . . . . 88.8 m-20 -69.52 -31.1 69.12 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 115.964 -0.562 . . . . 0.0 110.652 178.573 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 74.5 tttt -74.8 -33.04 62.17 Favored 'General case' 0 N--CA 1.453 -0.311 0 CA-C-N 116.394 -0.366 . . . . 0.0 110.1 178.495 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -59.49 -48.26 82.34 Favored 'General case' 0 CA--C 1.519 -0.236 0 N-CA-C 109.677 -0.49 . . . . 0.0 109.677 174.221 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 75' ' ' ARG . . . . . 0.408 ' NH2' ' HB2' ' A' ' 100' ' ' ALA . 72.2 ttt180 -54.68 -51.64 64.86 Favored 'General case' 0 C--O 1.234 0.27 0 CA-C-N 115.873 -0.603 . . . . 0.0 110.774 176.297 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 23.2 mtp180 -59.61 -53.85 53.23 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 115.967 -0.56 . . . . 0.0 111.907 -179.049 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 77' ' ' ARG . . . . . 0.484 ' O ' HG23 ' A' ' 81' ' ' VAL . 21.3 mmt180 -71.83 -32.55 67.65 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-N 116.435 -0.348 . . . . 0.0 111.901 -172.445 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 78' ' ' CYS . . . . . . . . . . . . . 99.5 m -63.81 -46.38 85.39 Favored 'General case' 0 C--N 1.329 -0.295 0 N-CA-C 109.231 -0.655 . . . . 0.0 109.231 172.342 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . -60.82 -27.51 66.81 Favored Glycine 0 N--CA 1.448 -0.502 0 C-N-CA 120.938 -0.649 . . . . 0.0 111.848 175.569 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 31.2 tt0 -73.81 -37.65 64.82 Favored 'General case' 0 C--N 1.329 -0.317 0 N-CA-C 110.238 -0.282 . . . . 0.0 110.238 177.208 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 81' ' ' VAL . . . . . 0.484 HG23 ' O ' ' A' ' 77' ' ' ARG . 86.0 t -61.8 -45.6 98.34 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.229 0 N-CA-C 109.573 -0.528 . . . . 0.0 109.573 172.919 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 82' ' ' PHE . . . . . 0.517 ' HA ' HD11 ' A' ' 47' ' ' ILE . 57.8 m-85 -58.29 -49.88 75.59 Favored 'General case' 0 C--N 1.332 -0.18 0 CA-C-N 115.906 -0.588 . . . . 0.0 110.402 174.493 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 83' ' ' ARG . . . . . 0.525 ' O ' HG23 ' A' ' 87' ' ' VAL . 4.9 ttp180 -58.33 -41.25 84.14 Favored 'General case' 0 C--N 1.332 -0.188 0 CA-C-N 115.954 -0.566 . . . . 0.0 111.268 179.474 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 84' ' ' TYR . . . . . . . . . . . . . 61.9 t80 -61.47 -40.27 93.91 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-O 121.105 0.479 . . . . 0.0 110.162 178.742 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 85' ' ' ALA . . . . . 0.527 ' HA ' HG22 ' A' ' 88' ' ' THR . . . -71.48 -29.59 65.01 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 115.842 -0.617 . . . . 0.0 110.933 178.423 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 86' ' ' ILE . . . . . 0.502 HG13 ' O ' ' A' ' 82' ' ' PHE . 81.2 mt -66.86 -43.26 89.67 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.395 0 CA-C-O 121.026 0.441 . . . . 0.0 109.956 174.401 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 87' ' ' VAL . . . . . 0.525 HG23 ' O ' ' A' ' 83' ' ' ARG . 91.2 t -63.47 -43.0 98.21 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 115.834 -0.621 . . . . 0.0 111.061 179.149 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 88' ' ' THR . . . . . 0.527 HG22 ' HA ' ' A' ' 85' ' ' ALA . 3.5 t -73.32 -14.5 61.31 Favored 'General case' 0 CA--C 1.537 0.459 0 CA-C-O 121.077 0.465 . . . . 0.0 110.443 -179.966 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . 86.26 27.64 30.05 Favored Glycine 0 C--N 1.331 0.305 0 C-N-CA 120.995 -0.621 . . . . 0.0 113.377 174.967 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 74.7 mtt180 -120.79 7.95 10.51 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-O 121.02 0.438 . . . . 0.0 111.167 179.002 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . -140.1 134.9 31.96 Favored 'General case' 0 C--N 1.323 -0.573 0 N-CA-C 109.238 -0.653 . . . . 0.0 109.238 170.658 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 97.8 mttt -91.27 -47.22 7.61 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-O 120.689 0.28 . . . . 0.0 111.354 -175.427 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 93' ' ' TYR . . . . . . . . . . . . . 12.7 p90 -138.79 162.68 34.13 Favored 'General case' 0 C--N 1.323 -0.586 0 N-CA-C 109.974 -0.38 . . . . 0.0 109.974 -179.111 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 94' ' ' ASN . . . . . 0.437 ' HB3' ' HB3' ' A' ' 82' ' ' PHE . 27.6 p-10 -119.34 135.76 24.17 Favored Pre-proline 0 C--N 1.32 -0.685 0 CA-C-N 116.187 -0.461 . . . . 0.0 109.931 177.237 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 95' ' ' PRO . . . . . . . . . . . . . 72.8 Cg_endo -75.88 32.99 0.39 Allowed 'Trans proline' 0 CA--C 1.53 0.31 0 C-N-CA 122.788 2.325 . . . . 0.0 113.076 -177.919 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 96' ' ' ALA . . . . . 0.583 ' N ' ' HD2' ' A' ' 97' ' ' PRO . . . -66.52 -44.74 56.78 Favored Pre-proline 0 C--N 1.327 -0.412 0 CA-C-N 116.478 -0.328 . . . . 0.0 111.879 179.315 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 97' ' ' PRO . . . . . 0.583 ' HD2' ' N ' ' A' ' 96' ' ' ALA . 16.1 Cg_endo -58.31 -43.58 45.58 Favored 'Trans proline' 0 C--N 1.357 0.997 0 C-N-CA 122.068 1.845 . . . . 0.0 112.152 174.588 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 98' ' ' ASP . . . . . 0.694 ' HB3' ' HB3' ' A' ' 52' ' ' PRO . 2.1 m-20 -70.05 -32.21 70.21 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.419 -0.355 . . . . 0.0 111.123 178.902 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 99' ' ' LEU . . . . . . . . . . . . . 3.2 tm? -58.0 -50.66 72.65 Favored 'General case' 0 C--N 1.328 -0.338 0 N-CA-C 109.203 -0.665 . . . . 0.0 109.203 173.182 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 100' ' ' ALA . . . . . 0.575 ' O ' ' HG3' ' A' ' 104' ' ' LYS . . . -63.72 -42.55 97.91 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 115.566 -0.743 . . . . 0.0 110.719 179.059 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 12.4 t70 -64.77 -40.22 94.91 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.867 -178.285 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -65.71 -37.25 85.91 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.427 177.794 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 103' ' ' MET . . . . . . . . . . . . . 46.5 ttm -64.06 -38.01 89.51 Favored 'General case' 0 C--N 1.323 -0.571 0 CA-C-N 116.012 -0.54 . . . . 0.0 110.392 177.613 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 104' ' ' LYS . . . . . 0.575 ' HG3' ' O ' ' A' ' 100' ' ' ALA . 78.1 mttt -79.05 -27.02 43.07 Favored 'General case' 0 N--CA 1.464 0.257 0 CA-C-N 115.959 -0.564 . . . . 0.0 110.814 179.117 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 105' ' ' GLY . . . . . . . . . . . . . . . -94.13 -16.2 45.12 Favored Glycine 0 N--CA 1.446 -0.648 0 C-N-CA 120.811 -0.709 . . . . 0.0 113.003 -174.534 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 106' ' ' TYR . . . . . . . . . . . . . 12.3 t80 -71.03 -22.08 62.19 Favored 'General case' 0 C--N 1.323 -0.549 0 CA-C-N 117.059 0.429 . . . . 0.0 110.262 -178.786 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 107' ' ' ARG . . . . . 0.411 ' HG2' ' O ' ' A' ' 104' ' ' LYS . 13.2 ptt180 -79.87 -16.71 54.83 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.977 0.418 . . . . 0.0 109.997 175.771 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 108' ' ' LYS . . . . . . . . . . . . . 88.4 mttt -79.37 -38.69 34.38 Favored 'General case' 0 CA--C 1.517 -0.29 0 N-CA-C 108.387 -0.968 . . . . 0.0 108.387 171.311 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 109' ' ' LYS . . . . . . . . . . . . . 87.4 mttt 64.86 77.99 0.3 Allowed 'General case' 0 CA--C 1.519 -0.216 0 CA-C-N 114.021 -1.445 . . . . 0.0 110.839 -174.342 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 110' ' ' ASN . . . . . . . . . . . . . 15.9 m120 -72.0 -50.67 26.73 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 115.396 -0.82 . . . . 0.0 108.862 175.453 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 111' ' ' LEU . . . . . . . . . . . . . 68.1 mt 54.94 45.68 25.95 Favored 'General case' 0 N--CA 1.462 0.141 0 CA-C-N 115.224 -0.898 . . . . 0.0 110.955 174.622 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 112' ' ' GLU . . . . . . . . . . . . . 31.3 mt-10 -72.53 -12.67 61.17 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-N 115.649 -0.705 . . . . 0.0 111.161 -174.784 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 113' ' ' HIS . . . . . . . . . . . . . 14.5 m170 -83.59 4.65 27.33 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 115.985 -0.552 . . . . 0.0 110.372 175.154 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 114' ' ' HIS . . . . . . . . . . . . . 17.6 m80 -141.6 108.35 5.38 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 115.745 -0.661 . . . . 0.0 109.999 174.063 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 115' ' ' HIS . . . . . . . . . . . . . 85.8 m-70 -74.3 107.5 6.5 Favored 'General case' 0 C--N 1.322 -0.625 0 CA-C-O 121.217 0.532 . . . . 0.0 110.09 -178.738 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 116' ' ' HIS . . . . . . . . . . . . . 1.0 OUTLIER -89.18 130.97 35.51 Favored 'General case' 0 C--N 1.32 -0.678 0 CA-C-N 115.635 -0.712 . . . . 0.0 110.688 -172.107 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 117' ' ' HIS . . . . . . . . . . . . . 43.1 m-70 -132.63 158.7 41.58 Favored 'General case' 0 C--N 1.321 -0.647 0 CA-C-N 115.805 -0.634 . . . . 0.0 109.945 178.328 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 118' ' ' HIS . . . . . . . . . . . . . 42.3 m170 . . . . . 0 C--O 1.246 0.89 0 CA-C-O 118.464 -0.779 . . . . 0.0 109.491 175.536 . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 20.9 m . . . . . 0 N--CA 1.477 0.921 0 CA-C-O 121.192 0.52 . . . . 0.0 110.229 . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 30.8 p -77.18 104.66 7.81 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-N 115.685 -0.689 . . . . 0.0 110.561 -178.851 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 3' ' ' ASN . . . . . . . . . . . . . 91.5 m-20 -110.0 86.49 2.31 Favored 'General case' 0 C--N 1.322 -0.591 0 CA-C-O 121.143 0.497 . . . . 0.0 109.86 179.37 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 4' ' ' ASN . . . . . . . . . . . . . 7.0 m-20 -95.93 166.52 11.74 Favored 'General case' 0 C--N 1.323 -0.586 0 CA-C-N 115.557 -0.747 . . . . 0.0 110.777 -176.756 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 92.9 m-20 -108.52 17.03 22.49 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.666 -178.742 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 6' ' ' SER . . . . . 0.541 ' HA ' ' HA ' ' A' ' 46' ' ' GLU . 4.7 p -70.73 147.3 49.18 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.111 177.542 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 7' ' ' PHE . . . . . 0.665 ' HE1' ' HZ ' ' A' ' 34' ' ' PHE . 15.3 t80 -64.12 -40.61 96.57 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 116.266 -0.424 . . . . 0.0 110.653 -175.571 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 20.4 p -57.58 -45.68 84.94 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.373 -0.376 . . . . 0.0 111.303 179.07 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -63.21 -50.15 71.41 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.156 -0.474 . . . . 0.0 111.473 -178.109 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 10' ' ' ILE . . . . . 0.432 HD12 HG21 ' A' ' 47' ' ' ILE . 57.5 mt -68.4 -37.33 77.7 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.386 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.826 -177.938 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 11' ' ' TYR . . . . . 0.46 ' OH ' ' HA ' ' A' ' 31' ' ' ALA . 87.5 t80 -58.94 -38.7 79.6 Favored 'General case' 0 C--O 1.223 -0.325 0 N-CA-C 110.165 -0.309 . . . . 0.0 110.165 174.621 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 84.6 tttt -67.4 -40.38 85.63 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.594 -0.276 . . . . 0.0 110.871 -178.463 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 37.6 tt0 -64.07 -50.57 67.86 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 121.081 0.467 . . . . 0.0 109.794 177.153 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 14' ' ' TRP . . . . . . . . . . . . . 69.1 t90 -57.26 -44.24 83.76 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 115.502 -0.772 . . . . 0.0 110.285 176.847 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 15' ' ' TYR . . . . . 0.511 ' CE1' ' HB2' ' A' ' 31' ' ' ALA . 42.1 t80 -61.52 -46.94 87.81 Favored 'General case' 0 C--O 1.222 -0.364 0 CA-C-N 115.79 -0.641 . . . . 0.0 111.472 178.253 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 28.6 tt0 -59.55 -41.34 89.88 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.82 0.343 . . . . 0.0 110.658 -176.918 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 17' ' ' HIS . . . . . . . . . . . . . 69.4 m80 -67.48 -42.22 83.29 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.608 177.929 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 39.4 mmtm -69.18 -27.41 65.49 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-O 120.924 0.392 . . . . 0.0 111.086 178.36 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 37.7 ttpt -65.07 -23.41 67.17 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-N 116.024 -0.534 . . . . 0.0 110.452 178.848 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 90.8 mt-30 -80.69 -17.43 51.13 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-N 115.917 -0.583 . . . . 0.0 110.094 177.975 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 50.5 t -93.83 -51.4 11.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 115.59 -0.732 . . . . 0.0 110.668 -179.222 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 22' ' ' TRP . . . . . . . . . . . . . 11.9 m0 -81.82 171.68 14.23 Favored 'General case' 0 C--N 1.322 -0.623 0 CA-C-N 115.852 -0.613 . . . . 0.0 110.581 -178.176 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 11.6 p -76.05 142.86 41.69 Favored 'General case' 0 C--N 1.323 -0.583 0 CA-C-N 115.916 -0.583 . . . . 0.0 109.568 173.254 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 14.2 p -57.19 -36.77 52.9 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.351 0 N-CA-C 111.741 0.275 . . . . 0.0 111.741 -175.941 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -64.18 -43.31 97.3 Favored Glycine 0 N--CA 1.451 -0.358 0 C-N-CA 120.79 -0.719 . . . . 0.0 112.008 178.933 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 26' ' ' TYR . . . . . . . . . . . . . 78.1 t80 -71.27 -40.25 71.06 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-O 121.001 0.429 . . . . 0.0 109.972 178.712 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -60.45 -46.75 88.94 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 115.766 -0.652 . . . . 0.0 111.186 179.982 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 94.6 m -59.86 -44.77 93.96 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.678 -0.237 . . . . 0.0 111.169 178.438 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 32.3 tt0 -62.18 -44.83 95.73 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-O 120.888 0.375 . . . . 0.0 110.536 -179.623 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 8.8 tt -63.15 -45.3 92.54 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 115.693 -0.685 . . . . 0.0 110.696 -179.148 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 31' ' ' ALA . . . . . 0.511 ' HB2' ' CE1' ' A' ' 15' ' ' TYR . . . -68.96 -47.33 65.89 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.074 -0.512 . . . . 0.0 111.313 -178.562 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 64.7 tttm -60.14 -39.49 86.5 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.928 0.394 . . . . 0.0 110.731 -179.481 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 33' ' ' MET . . . . . 0.639 ' SD ' ' HD3' ' A' ' 70' ' ' ARG . 45.8 ttp -60.16 -39.4 86.28 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-O 121.211 0.529 . . . . 0.0 110.26 176.835 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 34' ' ' PHE . . . . . 0.665 ' HZ ' ' HE1' ' A' ' 7' ' ' PHE . 18.8 t80 -67.29 -46.8 72.52 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 115.753 -0.658 . . . . 0.0 109.644 178.179 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 35' ' ' ASP . . . . . 0.511 ' O ' ' HB2' ' A' ' 39' ' ' LEU . 18.4 m-20 -57.42 -54.2 49.47 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-N 116.063 -0.517 . . . . 0.0 110.984 177.307 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 10.2 m-20 -53.88 -60.15 3.69 Favored 'General case' 0 C--N 1.326 -0.426 0 N-CA-C 112.608 0.595 . . . . 0.0 112.608 -173.596 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 68.5 m-20 -90.05 -40.56 12.22 Favored 'General case' 0 C--N 1.323 -0.577 0 C-N-CA 120.639 -0.424 . . . . 0.0 112.041 -172.856 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 38' ' ' ILE . . . . . 0.566 HD12 ' CD2' ' A' ' 34' ' ' PHE . 15.6 mt -88.27 -32.07 5.88 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.634 0 N-CA-C 112.634 0.605 . . . . 0.0 112.634 -167.244 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 39' ' ' LEU . . . . . 0.521 HD22 ' HA3' ' A' ' 43' ' ' GLY . 0.2 OUTLIER -60.74 -49.35 89.94 Favored Pre-proline 0 CA--C 1.538 0.513 0 C-N-CA 120.949 -0.301 . . . . 0.0 111.773 -175.282 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 40' ' ' PRO . . . . . 0.472 ' HD2' ' N ' ' A' ' 39' ' ' LEU . 41.5 Cg_endo -68.15 -1.38 7.02 Favored 'Trans proline' 0 C--N 1.353 0.78 0 C-N-CA 121.791 1.661 . . . . 0.0 112.902 178.329 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 41' ' ' ILE . . . . . 0.44 HG22 HG23 ' A' ' 42' ' ' ILE . 37.2 mm -102.46 -59.73 3.22 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.404 0 C-N-CA 121.225 -0.19 . . . . 0.0 110.825 179.223 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 42' ' ' ILE . . . . . 0.44 HG23 HG22 ' A' ' 41' ' ' ILE . 5.2 pt -129.04 -1.16 3.03 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.252 0 N-CA-C 112.061 0.393 . . . . 0.0 112.061 -178.162 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 43' ' ' GLY . . . . . 0.521 ' HA3' HD22 ' A' ' 39' ' ' LEU . . . -61.77 -35.33 91.1 Favored Glycine 0 N--CA 1.453 -0.232 0 C-N-CA 120.685 -0.769 . . . . 0.0 112.721 -174.326 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -88.08 -0.35 83.19 Favored Glycine 0 N--CA 1.447 -0.571 0 C-N-CA 120.695 -0.764 . . . . 0.0 112.709 -179.646 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 91.2 mt -88.37 164.63 15.44 Favored 'General case' 0 C--N 1.327 -0.377 0 N-CA-C 109.776 -0.454 . . . . 0.0 109.776 -179.474 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 46' ' ' GLU . . . . . 0.541 ' HA ' ' HA ' ' A' ' 6' ' ' SER . 42.8 mt-10 -89.29 140.14 29.79 Favored 'General case' 0 C--N 1.321 -0.637 0 N-CA-C 109.657 -0.497 . . . . 0.0 109.657 177.185 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 47' ' ' ILE . . . . . 0.432 HG21 HD12 ' A' ' 10' ' ' ILE . 16.5 tt -64.36 -18.21 22.57 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.611 0 CA-C-O 121.233 0.54 . . . . 0.0 111.499 -173.226 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 85.1 mt-30 -85.83 -20.71 28.74 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-N 116.036 -0.529 . . . . 0.0 110.88 -178.422 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 14.6 t70 -132.99 83.92 2.1 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-O 121.146 0.498 . . . . 0.0 110.618 -174.873 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 50' ' ' ILE . . . . . . . . . . . . . 51.7 mt -132.04 124.06 52.19 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.65 0 CA-C-N 115.67 -0.696 . . . . 0.0 109.941 175.742 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 51' ' ' GLU . . . . . 0.672 ' HG3' ' HB2' ' A' ' 54' ' ' GLN . 9.1 pt-20 -73.59 138.84 77.43 Favored Pre-proline 0 C--N 1.321 -0.638 0 CA-C-N 115.8 -0.636 . . . . 0.0 110.205 177.758 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 52' ' ' PRO . . . . . 0.445 ' HB3' ' HB3' ' A' ' 98' ' ' ASP . 11.2 Cg_endo -55.57 -35.15 92.06 Favored 'Trans proline' 0 C--N 1.344 0.296 0 C-N-CA 123.05 2.5 . . . . 0.0 113.022 -176.786 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 53' ' ' MET . . . . . . . . . . . . . 66.7 mtt -71.25 -27.67 63.62 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.551 -0.295 . . . . 0.0 111.009 -177.94 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 54' ' ' GLN . . . . . 0.672 ' HB2' ' HG3' ' A' ' 51' ' ' GLU . 44.2 tp60 -75.29 -41.82 56.21 Favored 'General case' 0 C--N 1.327 -0.403 0 N-CA-C 109.49 -0.559 . . . . 0.0 109.49 178.02 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 55' ' ' LEU . . . . . 0.544 ' O ' ' HB ' ' A' ' 58' ' ' VAL . 38.9 tp -64.67 -36.41 84.19 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-O 121.477 0.656 . . . . 0.0 109.437 175.365 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 56' ' ' LEU . . . . . 0.544 HD11 ' HE ' ' A' ' 60' ' ' ARG . 2.7 tm? -67.65 -32.34 72.96 Favored 'General case' 0 C--N 1.326 -0.413 0 CA-C-N 115.446 -0.797 . . . . 0.0 110.24 176.979 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 33.0 tt0 -64.29 -31.92 73.32 Favored 'General case' 0 N--CA 1.454 -0.266 0 N-CA-C 109.875 -0.417 . . . . 0.0 109.875 176.936 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 58' ' ' VAL . . . . . 0.552 HG13 HG12 ' A' ' 38' ' ' ILE . 43.8 t -58.72 -54.36 34.67 Favored 'Isoleucine or valine' 0 C--O 1.236 0.359 0 CA-C-O 121.203 0.525 . . . . 0.0 110.238 171.561 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 59' ' ' ILE . . . . . . . . . . . . . 1.8 mp -55.17 -45.11 77.21 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 115.581 -0.736 . . . . 0.0 110.876 178.713 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 60' ' ' ARG . . . . . 0.544 ' HE ' HD11 ' A' ' 56' ' ' LEU . 74.5 mtt-85 -80.74 -9.69 59.78 Favored 'General case' 0 C--N 1.328 -0.364 0 N-CA-C 112.109 0.411 . . . . 0.0 112.109 -177.871 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 47.9 tpt85 -69.37 -39.55 77.99 Favored 'General case' 0 C--N 1.324 -0.506 0 N-CA-C 108.715 -0.846 . . . . 0.0 108.715 171.748 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 62' ' ' PHE . . . . . . . . . . . . . 75.5 m-85 -71.73 -33.25 68.56 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-N 115.692 -0.685 . . . . 0.0 110.263 172.594 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 63' ' ' GLU . . . . . 0.447 ' CB ' ' HA ' ' A' ' 60' ' ' ARG . 33.4 tt0 -58.64 -53.65 55.97 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.014 -0.539 . . . . 0.0 110.726 177.915 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 1.6 p30 -69.78 -20.37 63.48 Favored 'General case' 0 N--CA 1.465 0.292 0 C-N-CA 120.994 -0.283 . . . . 0.0 110.952 -179.931 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 36.7 ttt180 -76.73 -22.36 53.96 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 121.203 0.525 . . . . 0.0 110.015 175.959 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 104.75 -8.1 46.31 Favored Glycine 0 N--CA 1.447 -0.589 0 CA-C-N 115.781 -0.645 . . . . 0.0 112.571 177.77 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -89.18 107.38 19.02 Favored 'General case' 0 C--N 1.326 -0.413 0 CA-C-O 120.874 0.369 . . . . 0.0 110.942 -176.546 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 68' ' ' MET . . . . . 0.497 ' HA ' ' CE ' ' A' ' 68' ' ' MET . 3.2 mmt -85.63 -47.7 9.58 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.817 -178.002 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 18.7 tt0 -62.48 -45.31 93.62 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.054 -0.521 . . . . 0.0 110.445 -179.602 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 70' ' ' ARG . . . . . 0.639 ' HD3' ' SD ' ' A' ' 33' ' ' MET . 55.4 mtt180 -73.7 -14.5 61.15 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-N 115.815 -0.629 . . . . 0.0 111.205 -177.642 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -70.44 -42.99 70.82 Favored 'General case' 0 C--O 1.233 0.218 0 N-CA-C 109.434 -0.58 . . . . 0.0 109.434 172.09 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 72' ' ' ASN . . . . . . . . . . . . . 9.9 t30 -66.5 -36.15 82.01 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 115.787 -0.642 . . . . 0.0 109.926 174.496 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 73' ' ' LYS . . . . . 0.554 ' HB2' ' HA ' ' A' ' 70' ' ' ARG . 46.8 mttp -59.37 -37.09 77.02 Favored 'General case' 0 C--N 1.333 -0.152 0 CA-C-N 116.115 -0.493 . . . . 0.0 111.228 176.214 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -63.38 -55.85 21.11 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-O 120.96 0.41 . . . . 0.0 110.004 176.373 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 63.5 ttt180 -50.71 -50.97 53.98 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 114.935 -1.029 . . . . 0.0 111.534 179.039 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 33.5 ttt85 -63.21 -48.94 76.19 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 115.744 -0.662 . . . . 0.0 111.864 -177.535 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 77' ' ' ARG . . . . . 0.52 ' O ' HG23 ' A' ' 81' ' ' VAL . 73.6 mtm180 -63.38 -49.13 75.03 Favored 'General case' 0 CA--C 1.518 -0.287 0 C-N-CA 121.226 -0.19 . . . . 0.0 111.398 -177.693 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 78' ' ' CYS . . . . . . . . . . . . . 74.5 m -55.6 -42.57 75.02 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-O 120.745 0.307 . . . . 0.0 110.245 179.159 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . -57.95 -39.89 92.46 Favored Glycine 0 N--CA 1.448 -0.533 0 CA-C-N 115.968 -0.56 . . . . 0.0 112.585 177.558 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 33.0 tt0 -76.47 -30.85 57.46 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.916 0.358 . . . . 0.0 110.722 179.498 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 81' ' ' VAL . . . . . 0.52 HG23 ' O ' ' A' ' 77' ' ' ARG . 93.0 t -62.3 -44.12 98.8 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 N-CA-C 109.65 -0.5 . . . . 0.0 109.65 173.764 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 82' ' ' PHE . . . . . 0.551 ' O ' HG13 ' A' ' 86' ' ' ILE . 41.0 m-85 -59.02 -48.03 83.08 Favored 'General case' 0 C--N 1.332 -0.192 0 CA-C-N 115.812 -0.631 . . . . 0.0 109.933 172.865 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 83' ' ' ARG . . . . . 0.452 ' O ' HG23 ' A' ' 87' ' ' VAL . 56.6 ttt180 -54.5 -51.38 65.28 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 115.537 -0.756 . . . . 0.0 110.871 177.578 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 84' ' ' TYR . . . . . . . . . . . . . 56.8 t80 -54.75 -43.64 72.91 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 115.752 -0.658 . . . . 0.0 110.464 178.944 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 85' ' ' ALA . . . . . 0.43 ' HB2' HD13 ' A' ' 47' ' ' ILE . . . -66.43 -39.69 89.08 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-N 116.069 -0.514 . . . . 0.0 111.337 179.716 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 86' ' ' ILE . . . . . 0.579 ' HA ' ' O ' ' A' ' 91' ' ' ALA . 67.6 mt -63.6 -39.97 87.32 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.355 0 CA-C-O 121.124 0.488 . . . . 0.0 110.568 178.676 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 87' ' ' VAL . . . . . 0.452 HG23 ' O ' ' A' ' 83' ' ' ARG . 63.9 t -69.94 -36.98 71.53 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.432 0 CA-C-N 115.962 -0.563 . . . . 0.0 111.08 178.755 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 88' ' ' THR . . . . . . . . . . . . . 20.6 p -83.66 -7.14 59.56 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 116.288 -0.415 . . . . 0.0 111.534 -178.163 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . 85.15 24.58 43.69 Favored Glycine 0 CA--C 1.519 0.332 0 C-N-CA 120.776 -0.726 . . . . 0.0 113.336 176.669 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 56.5 mtm180 -109.11 -4.34 16.67 Favored 'General case' 0 C--N 1.323 -0.587 0 CA-C-O 120.991 0.424 . . . . 0.0 110.764 178.574 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 91' ' ' ALA . . . . . 0.579 ' O ' ' HA ' ' A' ' 86' ' ' ILE . . . -149.38 165.11 33.03 Favored 'General case' 0 C--N 1.326 -0.418 0 N-CA-C 109.042 -0.725 . . . . 0.0 109.042 174.586 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 99.3 mttt -132.11 -12.81 3.2 Favored 'General case' 0 C--N 1.327 -0.409 0 N-CA-C 112.469 0.544 . . . . 0.0 112.469 -177.996 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 93' ' ' TYR . . . . . . . . . . . . . 18.1 p90 -146.41 163.45 35.6 Favored 'General case' 0 C--N 1.325 -0.474 0 C-N-CA 120.713 -0.395 . . . . 0.0 110.539 178.873 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 94' ' ' ASN . . . . . . . . . . . . . 6.6 m-80 -108.37 134.52 20.19 Favored Pre-proline 0 C--N 1.325 -0.485 0 N-CA-C 109.497 -0.557 . . . . 0.0 109.497 175.583 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 95' ' ' PRO . . . . . . . . . . . . . 4.6 Cg_exo -77.45 11.85 2.03 Favored 'Trans proline' 0 N--CA 1.462 -0.348 0 C-N-CA 122.689 2.26 . . . . 0.0 111.38 169.919 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 96' ' ' ALA . . . . . 0.56 ' N ' ' HD2' ' A' ' 97' ' ' PRO . . . -61.71 -47.43 92.3 Favored Pre-proline 0 CA--C 1.538 0.505 0 CA-C-N 115.923 -0.58 . . . . 0.0 112.484 -178.594 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 97' ' ' PRO . . . . . 0.56 ' HD2' ' N ' ' A' ' 96' ' ' ALA . 9.5 Cg_endo -53.84 -49.5 16.98 Favored 'Trans proline' 0 C--N 1.357 0.981 0 C-N-CA 122.254 1.969 . . . . 0.0 111.839 174.925 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 98' ' ' ASP . . . . . 0.445 ' HB3' ' HB3' ' A' ' 52' ' ' PRO . 3.1 m-20 -68.71 -28.45 66.85 Favored 'General case' 0 C--N 1.326 -0.413 0 CA-C-N 115.478 -0.783 . . . . 0.0 111.007 -179.214 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 99' ' ' LEU . . . . . . . . . . . . . 3.2 tm? -58.58 -45.94 87.99 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-O 120.979 0.418 . . . . 0.0 109.884 176.092 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 100' ' ' ALA . . . . . . . . . . . . . . . -66.18 -38.88 89.09 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 115.806 -0.634 . . . . 0.0 110.711 179.585 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 31.6 t70 -69.25 -40.99 77.54 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 115.991 -0.55 . . . . 0.0 110.794 179.097 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 102' ' ' ALA . . . . . 0.411 ' HB2' ' HB2' ' A' ' 52' ' ' PRO . . . -65.25 -35.44 81.04 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.665 178.599 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 103' ' ' MET . . . . . . . . . . . . . 50.7 ttm -60.49 -38.9 85.78 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-O 121.241 0.543 . . . . 0.0 109.784 175.769 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 104' ' ' LYS . . . . . . . . . . . . . 82.2 tttt -73.12 -47.34 45.05 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 115.018 -0.992 . . . . 0.0 110.89 177.356 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 105' ' ' GLY . . . . . . . . . . . . . . . -67.33 -29.87 74.73 Favored Glycine 0 C--O 1.228 -0.224 0 CA-C-N 115.939 -0.573 . . . . 0.0 113.193 -177.176 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 106' ' ' TYR . . . . . . . . . . . . . 6.9 t80 -69.92 -16.12 63.17 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-O 121.013 0.435 . . . . 0.0 110.418 -179.759 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 107' ' ' ARG . . . . . 0.453 HH11 ' HD3' ' A' ' 107' ' ' ARG . 36.2 ttt180 -74.91 -10.19 59.25 Favored 'General case' 0 CA--C 1.533 0.301 0 CA-C-N 116.057 -0.52 . . . . 0.0 110.516 179.291 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 108' ' ' LYS . . . . . . . . . . . . . 93.0 mttt -72.14 -22.36 61.33 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.084 176.561 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 109' ' ' LYS . . . . . . . . . . . . . 68.2 mttm -86.13 140.46 30.19 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-N 115.833 -0.621 . . . . 0.0 110.574 -179.825 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 110' ' ' ASN . . . . . . . . . . . . . 88.8 m-20 -114.29 126.95 55.6 Favored 'General case' 0 C--N 1.319 -0.741 0 N-CA-C 109.462 -0.57 . . . . 0.0 109.462 175.445 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 111' ' ' LEU . . . . . . . . . . . . . 63.2 tp -63.15 -44.13 96.39 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.831 -178.224 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 112' ' ' GLU . . . . . . . . . . . . . 42.4 mt-10 -79.64 92.35 5.35 Favored 'General case' 0 N--CA 1.449 -0.49 0 CA-C-O 121.193 0.521 . . . . 0.0 111.016 -179.275 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 113' ' ' HIS . . . . . . . . . . . . . 90.8 m-70 -83.6 139.8 32.62 Favored 'General case' 0 C--N 1.322 -0.601 0 N-CA-C 109.096 -0.705 . . . . 0.0 109.096 174.073 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 114' ' ' HIS . . . . . . . . . . . . . 88.8 m-70 64.38 66.22 0.62 Allowed 'General case' 0 N--CA 1.465 0.292 0 O-C-N 123.771 0.669 . . . . 0.0 110.149 -172.482 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 115' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -65.83 -42.07 91.02 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 115.815 -0.629 . . . . 0.0 111.001 179.989 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 116' ' ' HIS . . . . . . . . . . . . . 76.0 m-70 -117.9 165.14 14.05 Favored 'General case' 0 C--N 1.323 -0.552 0 CA-C-N 116.067 -0.515 . . . . 0.0 110.046 179.552 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 117' ' ' HIS . . . . . . . . . . . . . 35.8 m80 -78.57 -41.68 31.25 Favored 'General case' 0 C--N 1.324 -0.533 0 N-CA-C 109.354 -0.61 . . . . 0.0 109.354 175.837 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 118' ' ' HIS . . . . . . . . . . . . . 85.0 t60 . . . . . 0 C--O 1.248 1.014 0 CA-C-O 118.376 -0.821 . . . . 0.0 109.204 174.984 . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 35.0 m . . . . . 0 N--CA 1.477 0.908 0 N-CA-C 110.124 -0.325 . . . . 0.0 110.124 . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 19.6 t -67.09 112.8 4.61 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 116.513 -0.312 . . . . 0.0 110.172 179.417 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 3' ' ' ASN . . . . . . . . . . . . . 14.4 m120 63.73 89.84 0.09 Allowed 'General case' 0 N--CA 1.464 0.258 0 O-C-N 123.826 0.703 . . . . 0.0 110.65 179.625 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 4' ' ' ASN . . . . . 0.401 HD22 ' HA ' ' A' ' 4' ' ' ASN . 0.7 OUTLIER -98.48 -2.25 39.37 Favored 'General case' 0 C--N 1.323 -0.554 0 CA-C-N 116.319 -0.401 . . . . 0.0 111.59 -177.19 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 81.0 m-20 -100.54 10.82 40.66 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 116.389 -0.368 . . . . 0.0 110.4 176.609 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 6' ' ' SER . . . . . 0.606 ' HA ' ' HA ' ' A' ' 46' ' ' GLU . 21.8 m -61.47 140.75 58.02 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.003 -0.544 . . . . 0.0 110.519 177.642 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 7' ' ' PHE . . . . . . . . . . . . . 55.5 t80 -58.2 -45.9 86.8 Favored 'General case' 0 C--N 1.329 -0.309 0 N-CA-C 109.754 -0.462 . . . . 0.0 109.754 178.994 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 5.6 p -54.98 -40.61 70.24 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.358 -0.383 . . . . 0.0 111.564 177.0 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -65.04 -51.92 58.78 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.438 -0.346 . . . . 0.0 111.101 -179.131 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 81.0 mt -68.04 -36.84 76.94 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.256 0 CA-C-O 120.847 0.356 . . . . 0.0 110.451 -179.875 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 11' ' ' TYR . . . . . 0.581 ' OH ' ' HA ' ' A' ' 31' ' ' ALA . 55.9 t80 -61.47 -43.55 98.66 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.808 176.272 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 56.1 tptt -58.3 -44.55 88.58 Favored 'General case' 0 C--O 1.235 0.323 0 CA-C-O 121.058 0.456 . . . . 0.0 110.304 178.515 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 44.8 tt0 -64.28 -50.73 66.74 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 115.705 -0.68 . . . . 0.0 110.284 178.28 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 14' ' ' TRP . . . . . . . . . . . . . 66.6 t90 -58.82 -43.97 90.77 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 115.566 -0.743 . . . . 0.0 111.198 179.573 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 15' ' ' TYR . . . . . 0.575 ' CE1' ' HB2' ' A' ' 31' ' ' ALA . 29.1 t80 -56.42 -60.31 3.71 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.318 -0.401 . . . . 0.0 111.38 -179.575 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 44.0 mt-10 -66.19 -25.21 66.83 Favored 'General case' 0 C--N 1.329 -0.304 0 C-N-CA 121.109 -0.236 . . . . 0.0 111.274 -175.075 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 17' ' ' HIS . . . . . . . . . . . . . 47.8 t60 -70.14 -50.16 43.27 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.883 0.373 . . . . 0.0 110.246 175.684 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 14.4 mmmm -74.17 -21.25 59.92 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.86 0.362 . . . . 0.0 110.711 -179.793 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 47.8 tttm -65.54 -22.26 66.69 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 115.972 -0.558 . . . . 0.0 110.634 176.79 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 96.1 mt-30 -88.74 5.22 44.45 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-O 121.334 0.588 . . . . 0.0 110.141 177.483 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 46.7 t -117.19 -41.56 2.75 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.377 0 CA-C-N 115.401 -0.818 . . . . 0.0 109.948 177.81 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 22' ' ' TRP . . . . . . . . . . . . . 29.2 m0 -82.61 -173.28 4.53 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 115.856 -0.611 . . . . 0.0 110.775 178.673 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 13.1 m -96.46 159.37 14.98 Favored 'General case' 0 C--N 1.323 -0.549 0 N-CA-C 109.033 -0.728 . . . . 0.0 109.033 173.873 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 14.9 p -63.5 -45.62 97.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 N-CA-C 111.936 0.347 . . . . 0.0 111.936 -172.258 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -64.2 -49.01 69.1 Favored Glycine 0 C--N 1.332 0.328 0 C-N-CA 120.743 -0.742 . . . . 0.0 112.076 -179.228 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 26' ' ' TYR . . . . . . . . . . . . . 88.4 t80 -57.47 -44.73 85.08 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-O 120.787 0.327 . . . . 0.0 110.735 178.172 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -65.11 -41.82 94.53 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.364 -0.38 . . . . 0.0 110.887 -179.522 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 53.0 m -64.34 -43.99 92.87 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.357 -0.383 . . . . 0.0 111.061 -179.604 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 49.5 mt-10 -62.95 -46.03 89.67 Favored 'General case' 0 C--O 1.233 0.218 0 CA-C-O 120.715 0.293 . . . . 0.0 111.0 179.126 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 9.7 tt -62.42 -40.7 97.4 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.038 -0.528 . . . . 0.0 110.411 179.054 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 31' ' ' ALA . . . . . 0.581 ' HA ' ' OH ' ' A' ' 11' ' ' TYR . . . -64.0 -47.03 81.95 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 115.841 -0.618 . . . . 0.0 111.615 -178.965 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 54.6 tttp -66.94 -29.93 69.93 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-O 120.816 0.341 . . . . 0.0 110.747 -179.255 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 33' ' ' MET . . . . . 0.443 ' SD ' ' HD2' ' A' ' 70' ' ' ARG . 58.0 ttp -59.21 -44.34 92.27 Favored 'General case' 0 C--N 1.329 -0.326 0 N-CA-C 109.701 -0.481 . . . . 0.0 109.701 174.439 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 34' ' ' PHE . . . . . 0.525 ' CD2' HD12 ' A' ' 38' ' ' ILE . 16.5 m-85 -67.24 -38.63 85.52 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 115.74 -0.664 . . . . 0.0 110.919 176.249 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 35' ' ' ASP . . . . . 0.542 ' HA ' ' HB2' ' A' ' 39' ' ' LEU . 21.2 m-20 -60.38 -63.52 1.27 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.737 0.303 . . . . 0.0 111.122 178.749 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 1.4 m-20 -61.42 -50.32 73.3 Favored 'General case' 0 C--N 1.325 -0.487 0 N-CA-C 113.168 0.803 . . . . 0.0 113.168 -171.306 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 20.1 m-20 -93.38 -28.04 16.4 Favored 'General case' 0 C--N 1.324 -0.528 0 N-CA-C 112.661 0.615 . . . . 0.0 112.661 -171.525 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 38' ' ' ILE . . . . . 0.546 HG12 HG13 ' A' ' 58' ' ' VAL . 9.9 mt -106.49 -37.89 4.06 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 N-CA-C 112.717 0.636 . . . . 0.0 112.717 -169.178 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 39' ' ' LEU . . . . . 0.542 ' HB2' ' HA ' ' A' ' 35' ' ' ASP . 0.4 OUTLIER -62.56 -47.71 87.91 Favored Pre-proline 0 CA--C 1.541 0.608 0 N-CA-C 112.375 0.509 . . . . 0.0 112.375 -172.865 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 40' ' ' PRO . . . . . 0.48 ' HD2' ' N ' ' A' ' 39' ' ' LEU . 42.4 Cg_endo -67.48 -7.49 19.35 Favored 'Trans proline' 0 C--N 1.354 0.848 0 C-N-CA 121.743 1.628 . . . . 0.0 112.662 179.284 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 41' ' ' ILE . . . . . 0.551 HG22 HG23 ' A' ' 42' ' ' ILE . 44.0 mm -97.36 -66.49 1.04 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.429 0 CA-C-N 116.307 -0.406 . . . . 0.0 110.667 -179.918 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 42' ' ' ILE . . . . . 0.551 HG23 HG22 ' A' ' 41' ' ' ILE . 10.5 pt -118.42 3.79 7.14 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.224 0 N-CA-C 112.471 0.545 . . . . 0.0 112.471 -174.752 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 43' ' ' GLY . . . . . 0.438 ' HA3' HD22 ' A' ' 39' ' ' LEU . . . -57.12 -38.22 84.57 Favored Glycine 0 C--O 1.235 0.184 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.997 -175.223 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -92.47 10.33 74.35 Favored Glycine 0 N--CA 1.447 -0.603 0 C-N-CA 120.799 -0.715 . . . . 0.0 112.722 -177.757 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 45' ' ' LEU . . . . . 0.459 HD12 ' HA ' ' A' ' 42' ' ' ILE . 85.3 mt -98.1 150.51 21.36 Favored 'General case' 0 C--N 1.325 -0.462 0 N-CA-C 110.121 -0.326 . . . . 0.0 110.121 179.578 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 46' ' ' GLU . . . . . 0.606 ' HA ' ' HA ' ' A' ' 6' ' ' SER . 32.3 mt-10 -86.32 145.32 26.96 Favored 'General case' 0 C--N 1.319 -0.728 0 CA-C-O 121.036 0.446 . . . . 0.0 110.465 177.443 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 14.7 tt -60.22 -23.78 28.64 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.615 0 CA-C-N 115.267 -0.879 . . . . 0.0 112.688 -167.855 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 72.7 mt-30 -88.6 -18.41 28.08 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.94 0.4 . . . . 0.0 110.824 178.729 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 38.6 t70 -100.82 -19.14 16.09 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 116.004 -0.544 . . . . 0.0 111.754 -168.575 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 50' ' ' ILE . . . . . 0.473 HG13 ' O ' ' A' ' 46' ' ' GLU . 67.7 mt -56.27 130.48 18.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-O 121.064 0.459 . . . . 0.0 111.711 -177.597 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 42.6 mt-10 -86.41 152.47 55.04 Favored Pre-proline 0 C--N 1.325 -0.469 0 CA-C-N 115.701 -0.681 . . . . 0.0 110.682 178.962 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 52' ' ' PRO . . . . . . . . . . . . . 19.5 Cg_endo -59.85 -31.99 94.68 Favored 'Trans proline' 0 C--N 1.344 0.305 0 C-N-CA 122.602 2.201 . . . . 0.0 111.441 176.01 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 53' ' ' MET . . . . . . . . . . . . . 87.7 mtp -62.39 -41.54 98.73 Favored 'General case' 0 C--O 1.225 -0.19 0 CA-C-N 116.017 -0.538 . . . . 0.0 110.847 178.352 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 54' ' ' GLN . . . . . 0.427 ' HB3' HG22 ' A' ' 42' ' ' ILE . 63.1 mt-30 -73.92 -39.54 63.75 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 115.967 -0.56 . . . . 0.0 111.347 -176.788 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 55' ' ' LEU . . . . . 0.48 HD23 ' HB2' ' A' ' 99' ' ' LEU . 19.8 tp -67.32 -35.12 78.79 Favored 'General case' 0 C--N 1.321 -0.642 0 CA-C-O 121.208 0.527 . . . . 0.0 109.817 178.913 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 56' ' ' LEU . . . . . 0.42 HD11 ' HD2' ' A' ' 106' ' ' TYR . 2.6 tm? -75.38 -32.77 60.91 Favored 'General case' 0 C--N 1.329 -0.319 0 N-CA-C 109.577 -0.527 . . . . 0.0 109.577 176.69 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 57' ' ' GLU . . . . . 0.4 ' OE1' ' NE2' ' A' ' 117' ' ' HIS . 46.2 tt0 -58.25 -39.82 80.17 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 115.801 -0.636 . . . . 0.0 109.835 174.148 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 58' ' ' VAL . . . . . 0.546 HG13 HG12 ' A' ' 38' ' ' ILE . 54.1 t -56.73 -54.59 27.34 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.39 0 CA-C-N 115.428 -0.805 . . . . 0.0 110.705 173.397 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 59' ' ' ILE . . . . . 0.448 HG23 ' HB1' ' A' ' 71' ' ' ALA . 1.7 mp -59.44 -39.49 79.3 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.417 0 CA-C-N 116.001 -0.545 . . . . 0.0 110.914 179.647 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 25.5 mtm180 -67.31 -29.68 69.32 Favored 'General case' 0 CA--C 1.517 -0.322 0 C-N-CA 121.185 -0.206 . . . . 0.0 111.428 177.028 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 18.1 tpt85 -60.09 -37.88 81.25 Favored 'General case' 0 C--N 1.326 -0.42 0 N-CA-C 109.322 -0.621 . . . . 0.0 109.322 176.757 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 62' ' ' PHE . . . . . . . . . . . . . 84.8 m-85 -68.0 -39.86 83.16 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 115.661 -0.699 . . . . 0.0 110.794 173.538 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 23.6 mt-10 -62.74 -43.19 99.44 Favored 'General case' 0 N--CA 1.462 0.171 0 CA-C-N 116.5 -0.318 . . . . 0.0 111.054 178.742 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -48.04 -42.75 29.17 Favored 'General case' 0 N--CA 1.465 0.297 0 CA-C-N 115.979 -0.555 . . . . 0.0 111.44 174.115 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 40.1 mtm105 -81.15 -29.27 34.75 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 116.426 -0.352 . . . . 0.0 111.339 179.901 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 107.98 21.91 7.52 Favored Glycine 0 N--CA 1.451 -0.347 0 C-N-CA 120.842 -0.694 . . . . 0.0 112.756 178.464 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -97.01 100.94 12.43 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 122.52 -0.4 . . . . 0.0 110.467 179.101 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 68' ' ' MET . . . . . 0.562 ' HA ' ' CE ' ' A' ' 68' ' ' MET . 9.0 mmt -81.13 -57.26 3.6 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-O 120.596 0.236 . . . . 0.0 111.436 -177.708 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 25.4 tt0 -60.53 -42.38 96.36 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-N 116.383 -0.371 . . . . 0.0 110.91 -178.065 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 70' ' ' ARG . . . . . 0.575 ' HA ' ' HB2' ' A' ' 73' ' ' LYS . 28.6 mtm180 -74.73 -15.74 60.76 Favored 'General case' 0 C--N 1.329 -0.302 0 C-N-CA 120.734 -0.386 . . . . 0.0 111.825 -178.823 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 71' ' ' ALA . . . . . 0.448 ' HB1' HG23 ' A' ' 59' ' ' ILE . . . -70.65 -39.61 73.51 Favored 'General case' 0 C--N 1.33 -0.281 0 N-CA-C 109.391 -0.596 . . . . 0.0 109.391 171.917 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 72' ' ' ASN . . . . . . . . . . . . . 58.0 t30 -73.07 -37.43 66.8 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 115.662 -0.699 . . . . 0.0 109.882 176.343 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 73' ' ' LYS . . . . . 0.575 ' HB2' ' HA ' ' A' ' 70' ' ' ARG . 41.8 mttp -58.77 -40.74 84.82 Favored 'General case' 0 N--CA 1.462 0.15 0 CA-C-N 116.315 -0.402 . . . . 0.0 110.691 174.843 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -56.82 -54.14 49.81 Favored 'General case' 0 CA--C 1.519 -0.225 0 N-CA-C 110.204 -0.295 . . . . 0.0 110.204 176.951 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 57.5 ttt180 -54.13 -49.04 70.1 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 115.906 -0.588 . . . . 0.0 111.123 176.882 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 60.3 ttt180 -61.05 -48.19 82.9 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 115.781 -0.645 . . . . 0.0 111.384 -176.604 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 77' ' ' ARG . . . . . 0.421 ' O ' HG23 ' A' ' 81' ' ' VAL . 9.9 mmp_? -68.96 -38.46 79.42 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.976 -178.673 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 78' ' ' CYS . . . . . . . . . . . . . 81.5 m -64.04 -40.09 95.54 Favored 'General case' 0 C--N 1.332 -0.157 0 N-CA-C 109.992 -0.373 . . . . 0.0 109.992 176.503 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . -57.7 -34.43 70.4 Favored Glycine 0 N--CA 1.449 -0.448 0 C-N-CA 121.216 -0.516 . . . . 0.0 111.821 175.094 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 42.1 tt0 -70.45 -38.03 74.42 Favored 'General case' 0 C--N 1.33 -0.271 0 N-CA-C 110.055 -0.35 . . . . 0.0 110.055 176.608 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 81' ' ' VAL . . . . . 0.421 HG23 ' O ' ' A' ' 77' ' ' ARG . 61.6 t -60.82 -45.58 97.73 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.247 0 N-CA-C 109.952 -0.388 . . . . 0.0 109.952 175.353 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 82' ' ' PHE . . . . . 0.511 ' O ' HG13 ' A' ' 86' ' ' ILE . 60.1 m-85 -60.12 -45.39 93.15 Favored 'General case' 0 C--N 1.332 -0.179 0 CA-C-N 116.028 -0.533 . . . . 0.0 110.167 174.725 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 83' ' ' ARG . . . . . 0.492 ' O ' HG23 ' A' ' 87' ' ' VAL . 22.7 ttt180 -59.7 -45.12 93.09 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 115.876 -0.602 . . . . 0.0 110.815 178.577 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 84' ' ' TYR . . . . . . . . . . . . . 27.6 t80 -58.89 -38.77 79.62 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 115.949 -0.569 . . . . 0.0 109.86 177.901 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -69.53 -34.3 74.04 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 115.766 -0.652 . . . . 0.0 111.014 178.339 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 86' ' ' ILE . . . . . 0.511 HG13 ' O ' ' A' ' 82' ' ' PHE . 77.5 mt -66.57 -43.8 90.41 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 CA-C-O 120.966 0.412 . . . . 0.0 109.983 175.698 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 87' ' ' VAL . . . . . 0.492 HG23 ' O ' ' A' ' 83' ' ' ARG . 98.4 t -61.89 -48.85 86.68 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 115.721 -0.672 . . . . 0.0 110.669 177.544 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 88' ' ' THR . . . . . . . . . . . . . 18.2 p -69.33 -20.34 63.87 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.147 179.671 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . 89.03 27.05 24.66 Favored Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 120.955 -0.64 . . . . 0.0 113.051 176.781 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 64.9 mtt180 -98.62 -28.77 13.4 Favored 'General case' 0 C--N 1.322 -0.608 0 CA-C-O 121.064 0.459 . . . . 0.0 110.628 179.344 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . -120.25 115.81 24.34 Favored 'General case' 0 C--N 1.321 -0.641 0 CA-C-N 116.325 -0.398 . . . . 0.0 110.435 179.775 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 49.8 tttm -83.63 -21.78 32.4 Favored 'General case' 0 C--N 1.324 -0.543 0 CA-C-O 121.231 0.539 . . . . 0.0 109.927 -179.704 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 93' ' ' TYR . . . . . . . . . . . . . 90.2 t80 -147.08 142.38 27.35 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-N 115.473 -0.785 . . . . 0.0 109.562 179.288 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 94' ' ' ASN . . . . . . . . . . . . . 24.6 p-10 -120.27 132.47 24.1 Favored Pre-proline 0 C--N 1.322 -0.593 0 CA-C-O 120.858 0.361 . . . . 0.0 110.181 178.095 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 95' ' ' PRO . . . . . . . . . . . . . 69.1 Cg_endo -76.62 33.47 0.42 Allowed 'Trans proline' 0 CA--C 1.532 0.377 0 C-N-CA 122.827 2.351 . . . . 0.0 112.812 -179.212 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 96' ' ' ALA . . . . . 0.527 ' N ' ' HD2' ' A' ' 97' ' ' PRO . . . -67.38 -47.37 48.52 Favored Pre-proline 0 CA--C 1.537 0.469 0 CA-C-N 116.345 -0.389 . . . . 0.0 111.802 179.674 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 97' ' ' PRO . . . . . 0.527 ' HD2' ' N ' ' A' ' 96' ' ' ALA . 28.5 Cg_endo -64.12 -33.23 62.06 Favored 'Trans proline' 0 C--N 1.356 0.928 0 C-N-CA 121.871 1.714 . . . . 0.0 111.832 174.654 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 6.5 m-20 -68.67 -39.12 80.74 Favored 'General case' 0 C--N 1.326 -0.413 0 CA-C-N 115.99 -0.55 . . . . 0.0 109.943 178.497 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 99' ' ' LEU . . . . . 0.48 ' HB2' HD23 ' A' ' 55' ' ' LEU . 2.9 tm? -57.98 -43.98 86.84 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 115.337 -0.847 . . . . 0.0 109.592 172.906 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 100' ' ' ALA . . . . . 0.582 ' O ' ' HG3' ' A' ' 104' ' ' LYS . . . -58.96 -44.36 91.45 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 115.746 -0.661 . . . . 0.0 110.713 178.63 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 101' ' ' ASP . . . . . 0.706 ' HA ' ' HD2' ' A' ' 104' ' ' LYS . 0.4 OUTLIER -64.16 -33.22 75.3 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.325 -0.398 . . . . 0.0 111.759 179.84 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -69.3 -30.5 68.6 Favored 'General case' 0 C--N 1.324 -0.531 0 CA-C-O 121.241 0.543 . . . . 0.0 110.283 176.638 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 103' ' ' MET . . . . . . . . . . . . . 54.1 ttm -78.16 -23.23 47.77 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-N 115.683 -0.689 . . . . 0.0 110.393 177.552 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 104' ' ' LYS . . . . . 0.706 ' HD2' ' HA ' ' A' ' 101' ' ' ASP . 79.1 mttt -78.04 -48.97 14.92 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 121.321 0.582 . . . . 0.0 110.335 177.557 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 105' ' ' GLY . . . . . . . . . . . . . . . -129.56 77.49 0.39 Allowed Glycine 0 N--CA 1.445 -0.728 0 CA-C-N 115.459 -0.791 . . . . 0.0 111.604 -179.918 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 106' ' ' TYR . . . . . 0.42 ' HD2' HD11 ' A' ' 56' ' ' LEU . 67.4 m-85 -50.07 -72.21 0.05 Allowed 'General case' 0 N--CA 1.465 0.297 0 CA-C-O 121.352 0.596 . . . . 0.0 111.943 -177.076 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 107' ' ' ARG . . . . . . . . . . . . . 45.6 mtm180 -106.29 19.93 19.75 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 115.826 -0.625 . . . . 0.0 110.633 -175.18 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 108' ' ' LYS . . . . . . . . . . . . . 68.7 mttm -84.19 -17.8 38.75 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-N 116.001 -0.545 . . . . 0.0 110.449 -179.783 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 109' ' ' LYS . . . . . . . . . . . . . 32.8 mtmm -121.89 130.0 53.01 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.485 -177.889 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 110' ' ' ASN . . . . . . . . . . . . . 41.9 m-80 -91.39 98.97 12.02 Favored 'General case' 0 C--N 1.321 -0.637 0 N-CA-C 108.908 -0.775 . . . . 0.0 108.908 175.066 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 111' ' ' LEU . . . . . . . . . . . . . 70.4 mt -80.3 55.8 2.33 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 115.893 -0.594 . . . . 0.0 112.182 -171.422 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 112' ' ' GLU . . . . . . . . . . . . . 9.3 mm-40 64.57 -91.05 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 114.803 -1.09 . . . . 0.0 113.132 172.553 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 113' ' ' HIS . . . . . . . . . . . . . 53.6 t60 -101.86 134.96 44.22 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-O 121.196 0.522 . . . . 0.0 111.168 -172.687 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 114' ' ' HIS . . . . . . . . . . . . . 72.8 m80 -82.62 99.3 9.48 Favored 'General case' 0 C--N 1.323 -0.552 0 CA-C-N 115.791 -0.64 . . . . 0.0 110.789 -179.225 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 115' ' ' HIS . . . . . . . . . . . . . 20.0 m170 -79.59 125.68 29.91 Favored 'General case' 0 C--N 1.323 -0.572 0 N-CA-C 109.719 -0.475 . . . . 0.0 109.719 174.329 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 116' ' ' HIS . . . . . . . . . . . . . 48.9 m80 -111.86 149.85 31.23 Favored 'General case' 0 C--N 1.321 -0.64 0 CA-C-O 121.061 0.458 . . . . 0.0 111.148 -174.07 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 117' ' ' HIS . . . . . 0.4 ' NE2' ' OE1' ' A' ' 57' ' ' GLU . 78.7 m-70 -92.59 4.35 53.77 Favored 'General case' 0 C--N 1.329 -0.299 0 N-CA-C 108.468 -0.938 . . . . 0.0 108.468 167.773 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 118' ' ' HIS . . . . . . . . . . . . . 30.8 t60 . . . . . 0 C--O 1.243 0.734 0 CA-C-N 114.339 -1.3 . . . . 0.0 108.594 -178.975 . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 23.5 m . . . . . 0 N--CA 1.476 0.844 0 N-CA-C 110.259 -0.274 . . . . 0.0 110.259 . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 19.2 m -58.79 134.88 57.25 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-O 121.049 0.452 . . . . 0.0 111.241 179.899 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 3' ' ' ASN . . . . . . . . . . . . . 11.4 m120 -76.4 -17.0 59.58 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 115.627 -0.715 . . . . 0.0 111.286 -173.648 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 4' ' ' ASN . . . . . . . . . . . . . 67.1 m-20 -71.89 -5.51 35.08 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 116.411 -0.359 . . . . 0.0 111.248 178.203 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 85.4 m-20 63.19 28.58 15.94 Favored 'General case' 0 N--CA 1.465 0.285 0 CA-C-O 121.175 0.512 . . . . 0.0 110.175 179.327 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 1.6 m -58.37 140.45 53.59 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-N 115.518 -0.765 . . . . 0.0 110.462 178.629 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 7' ' ' PHE . . . . . . . . . . . . . 51.8 t80 -53.25 -48.8 67.94 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.5 -0.318 . . . . 0.0 110.698 -178.98 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 59.3 m -57.23 -32.58 66.69 Favored 'General case' 0 N--CA 1.464 0.253 0 N-CA-C 112.048 0.388 . . . . 0.0 112.048 -179.254 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -69.55 -50.4 45.23 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-O 121.312 0.577 . . . . 0.0 111.239 -176.811 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 10' ' ' ILE . . . . . 0.516 HG21 ' HB2' ' A' ' 85' ' ' ALA . 68.9 mt -74.62 -35.64 38.44 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.619 0 CA-C-N 115.657 -0.701 . . . . 0.0 110.174 -178.841 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 6.4 t80 -58.91 -42.3 89.28 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 115.839 -0.619 . . . . 0.0 110.322 172.363 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 23.1 tptm -55.47 -47.71 75.68 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.291 -0.413 . . . . 0.0 110.491 176.831 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 11.0 tp10 -66.65 -42.65 86.33 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 115.832 -0.622 . . . . 0.0 110.46 -177.679 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 14' ' ' TRP . . . . . 0.628 ' HH2' ' HD3' ' A' ' 77' ' ' ARG . 67.1 t90 -63.12 -47.94 80.65 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 115.589 -0.732 . . . . 0.0 110.688 177.549 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 15' ' ' TYR . . . . . 0.541 ' CE1' ' HB2' ' A' ' 31' ' ' ALA . 37.4 t80 -61.01 -47.64 85.51 Favored 'General case' 0 C--O 1.224 -0.273 0 CA-C-N 116.496 -0.32 . . . . 0.0 111.051 178.399 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 33.2 tt0 -61.03 -28.64 69.2 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 116.432 -0.349 . . . . 0.0 110.92 -176.086 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 17' ' ' HIS . . . . . . . . . . . . . 76.7 t60 -79.18 -45.69 19.41 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.847 0.356 . . . . 0.0 110.346 176.065 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 37.8 mmtm -66.64 -25.62 66.67 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 116.287 -0.415 . . . . 0.0 111.359 -179.863 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 60.4 tttm -60.47 -24.58 65.37 Favored 'General case' 0 C--N 1.323 -0.545 0 CA-C-N 115.697 -0.683 . . . . 0.0 110.941 178.868 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 96.9 mt-30 -73.66 -24.26 59.96 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.651 178.4 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 41.9 t -99.26 -42.04 10.34 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.398 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.108 -175.565 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 22' ' ' TRP . . . . . . . . . . . . . 41.3 m0 -75.95 155.82 34.75 Favored 'General case' 0 C--N 1.323 -0.548 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.175 -177.441 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 12.5 m -69.44 145.86 52.45 Favored 'General case' 0 C--N 1.324 -0.509 0 N-CA-C 108.966 -0.753 . . . . 0.0 108.966 172.5 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 47.8 t -57.33 -45.62 85.21 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.415 0 N-CA-C 112.194 0.442 . . . . 0.0 112.194 -172.4 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -58.86 -50.16 70.47 Favored Glycine 0 N--CA 1.45 -0.415 0 C-N-CA 120.671 -0.776 . . . . 0.0 112.025 177.945 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 26' ' ' TYR . . . . . . . . . . . . . 82.5 t80 -63.08 -42.96 99.75 Favored 'General case' 0 C--N 1.326 -0.429 0 C-N-CA 122.37 0.268 . . . . 0.0 111.075 177.968 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -62.95 -48.69 77.79 Favored 'General case' 0 C--N 1.332 -0.191 0 CA-C-O 120.82 0.343 . . . . 0.0 111.052 -177.08 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 20.0 m -66.27 -36.5 83.14 Favored 'General case' 0 C--N 1.323 -0.554 0 CA-C-N 116.303 -0.408 . . . . 0.0 110.873 -178.215 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 42.1 tt0 -68.93 -46.7 67.57 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.371 -0.377 . . . . 0.0 110.485 179.385 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 30' ' ' LEU . . . . . 0.639 ' O ' ' HG2' ' A' ' 33' ' ' MET . 10.2 tt -59.83 -41.66 91.81 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 116.048 -0.524 . . . . 0.0 109.682 177.719 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 31' ' ' ALA . . . . . 0.541 ' HB2' ' CE1' ' A' ' 15' ' ' TYR . . . -66.85 -35.56 80.32 Favored 'General case' 0 C--N 1.322 -0.622 0 CA-C-N 115.896 -0.593 . . . . 0.0 111.549 -179.485 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 32' ' ' LYS . . . . . 0.504 ' HA ' ' HB3' ' A' ' 35' ' ' ASP . 17.6 tttm -85.82 -14.47 44.97 Favored 'General case' 0 N--CA 1.449 -0.513 0 C-N-CA 119.583 -0.847 . . . . 0.0 111.933 -176.121 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 33' ' ' MET . . . . . 0.639 ' HG2' ' O ' ' A' ' 30' ' ' LEU . 24.2 ptt? -76.28 -31.5 58.28 Favored 'General case' 0 C--N 1.328 -0.351 0 N-CA-C 108.316 -0.994 . . . . 0.0 108.316 171.23 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 34' ' ' PHE . . . . . 0.47 ' CG ' HD12 ' A' ' 38' ' ' ILE . 9.3 m-85 -66.52 -41.39 88.87 Favored 'General case' 0 C--O 1.225 -0.225 0 CA-C-N 115.739 -0.664 . . . . 0.0 109.28 168.923 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 35' ' ' ASP . . . . . 0.613 ' HA ' ' HG ' ' A' ' 39' ' ' LEU . 27.9 t70 -58.22 -72.56 0.09 Allowed 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 115.311 -0.859 . . . . 0.0 111.301 177.881 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 6.3 m-20 -63.37 -32.24 73.61 Favored 'General case' 0 N--CA 1.466 0.368 0 N-CA-C 113.406 0.891 . . . . 0.0 113.406 -171.535 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 37' ' ' ASP . . . . . 0.503 ' HB3' ' HG2' ' A' ' 61' ' ' ARG . 14.7 m-20 -102.4 -44.75 5.29 Favored 'General case' 0 C--N 1.325 -0.498 0 C-N-CA 120.539 -0.464 . . . . 0.0 112.222 -173.158 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 38' ' ' ILE . . . . . 0.553 HG12 HG13 ' A' ' 58' ' ' VAL . 20.7 mt -89.64 -34.68 6.88 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 N-CA-C 112.651 0.612 . . . . 0.0 112.651 -170.376 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 39' ' ' LEU . . . . . 0.613 ' HG ' ' HA ' ' A' ' 35' ' ' ASP . 30.1 mt -64.81 -44.58 73.24 Favored Pre-proline 0 CA--C 1.535 0.379 0 N-CA-C 112.653 0.612 . . . . 0.0 112.653 -175.312 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 40' ' ' PRO . . . . . 0.42 ' HD3' ' HB2' ' A' ' 39' ' ' LEU . 31.2 Cg_exo -62.26 -14.7 39.96 Favored 'Trans proline' 0 C--N 1.353 0.808 0 C-N-CA 121.955 1.77 . . . . 0.0 112.508 174.864 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 41' ' ' ILE . . . . . 0.767 HG22 HG23 ' A' ' 42' ' ' ILE . 50.8 mm -95.07 -65.14 1.18 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.357 0 CA-C-N 116.561 -0.291 . . . . 0.0 111.323 -177.983 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 42' ' ' ILE . . . . . 0.767 HG23 HG22 ' A' ' 41' ' ' ILE . 17.2 pt -128.93 9.39 2.7 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.234 0 N-CA-C 111.734 0.272 . . . . 0.0 111.734 -176.14 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 43' ' ' GLY . . . . . 0.471 ' HA3' ' HA ' ' A' ' 39' ' ' LEU . . . -57.67 -39.12 90.65 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.773 -0.727 . . . . 0.0 112.754 -174.627 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -97.98 16.24 60.48 Favored Glycine 0 N--CA 1.445 -0.743 0 C-N-CA 120.548 -0.834 . . . . 0.0 112.769 -177.206 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 45' ' ' LEU . . . . . 0.416 HD12 ' HA ' ' A' ' 42' ' ' ILE . 95.8 mt -96.35 149.77 21.32 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 116.88 0.34 . . . . 0.0 110.696 178.782 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 30.6 mt-10 -73.24 128.83 36.6 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-N 115.96 -0.564 . . . . 0.0 109.817 177.761 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 47' ' ' ILE . . . . . 0.403 HD11 ' HA ' ' A' ' 82' ' ' PHE . 16.2 tt -60.82 -20.41 21.58 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.43 0 CA-C-O 120.978 0.418 . . . . 0.0 112.124 -173.314 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 69.0 mt-30 -80.77 -25.02 38.21 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 116.397 -0.365 . . . . 0.0 110.949 -179.516 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 33.2 t70 -133.07 77.86 1.76 Allowed 'General case' 0 C--N 1.324 -0.528 0 CA-C-O 121.515 0.674 . . . . 0.0 110.693 -175.535 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 50' ' ' ILE . . . . . . . . . . . . . 72.7 mt -119.65 134.31 63.63 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.673 0 CA-C-N 115.233 -0.894 . . . . 0.0 109.205 176.465 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 51' ' ' GLU . . . . . 0.724 ' HB2' ' HB2' ' A' ' 54' ' ' GLN . 42.4 mm-40 -66.35 129.04 94.15 Favored Pre-proline 0 C--N 1.325 -0.478 0 N-CA-C 110.071 -0.344 . . . . 0.0 110.071 178.56 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 52' ' ' PRO . . . . . . . . . . . . . 49.9 Cg_exo -56.47 -31.56 86.34 Favored 'Trans proline' 0 C--N 1.342 0.196 0 C-N-CA 122.635 2.223 . . . . 0.0 111.273 178.036 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 53' ' ' MET . . . . . . . . . . . . . 37.9 ttm -79.48 -24.87 42.05 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-N 115.482 -0.781 . . . . 0.0 110.339 179.899 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 54' ' ' GLN . . . . . 0.724 ' HB2' ' HB2' ' A' ' 51' ' ' GLU . 10.0 mt-30 -78.21 -34.16 49.53 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-O 120.97 0.414 . . . . 0.0 110.228 175.283 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 55' ' ' LEU . . . . . 0.481 HD23 ' HB2' ' A' ' 99' ' ' LEU . 32.8 tp -66.88 -34.79 78.57 Favored 'General case' 0 C--N 1.324 -0.521 0 N-CA-C 108.812 -0.81 . . . . 0.0 108.812 172.835 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 56' ' ' LEU . . . . . 0.443 ' O ' ' HB2' ' A' ' 60' ' ' ARG . 2.8 tm? -68.25 -32.07 71.99 Favored 'General case' 0 N--CA 1.453 -0.321 0 CA-C-N 115.184 -0.916 . . . . 0.0 109.592 174.176 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 57' ' ' GLU . . . . . 0.431 ' OE1' HG23 ' A' ' 41' ' ' ILE . 40.7 tt0 -64.04 -34.13 77.31 Favored 'General case' 0 C--N 1.33 -0.239 0 N-CA-C 110.131 -0.322 . . . . 0.0 110.131 177.312 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 58' ' ' VAL . . . . . 0.553 HG13 HG12 ' A' ' 38' ' ' ILE . 25.4 t -61.01 -54.0 41.5 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.235 0 CA-C-O 121.17 0.509 . . . . 0.0 110.526 173.745 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 59' ' ' ILE . . . . . . . . . . . . . 1.7 mp -61.83 -38.65 81.05 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 CA-C-N 115.937 -0.574 . . . . 0.0 110.25 177.5 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 60' ' ' ARG . . . . . 0.443 ' HB2' ' O ' ' A' ' 56' ' ' LEU . 0.0 OUTLIER -60.99 -39.0 88.01 Favored 'General case' 0 C--O 1.221 -0.426 0 CA-C-N 115.591 -0.731 . . . . 0.0 109.841 178.223 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 61' ' ' ARG . . . . . 0.514 ' HB3' ' O ' ' A' ' 58' ' ' VAL . 9.9 tpt180 -56.6 -48.66 76.95 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 115.627 -0.715 . . . . 0.0 111.089 177.943 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 62' ' ' PHE . . . . . . . . . . . . . 66.1 m-85 -66.73 -46.91 73.97 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 116.515 -0.311 . . . . 0.0 111.405 179.387 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 43.4 mt-10 -65.32 -29.37 70.1 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.783 0.325 . . . . 0.0 111.336 179.554 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 33.2 t70 -68.19 -33.35 74.27 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.161 178.457 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 19.8 mtm180 -82.9 -12.73 57.14 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 115.91 -0.586 . . . . 0.0 111.017 176.323 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 96.64 5.29 58.89 Favored Glycine 0 N--CA 1.448 -0.532 0 C-N-CA 120.485 -0.864 . . . . 0.0 112.222 177.875 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 67' ' ' ALA . . . . . 0.665 ' HB1' ' HB2' ' A' ' 70' ' ' ARG . . . -83.86 80.56 9.11 Favored 'General case' 0 C--N 1.323 -0.569 0 N-CA-C 109.536 -0.542 . . . . 0.0 109.536 177.457 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 68' ' ' MET . . . . . . . . . . . . . 41.9 mmm -72.17 -38.77 69.07 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-N 115.608 -0.724 . . . . 0.0 110.781 -173.664 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 69' ' ' GLU . . . . . 0.406 ' HG3' ' H ' ' A' ' 69' ' ' GLU . 0.0 OUTLIER -75.3 -34.04 61.25 Favored 'General case' 0 C--N 1.321 -0.632 0 CA-C-N 115.742 -0.663 . . . . 0.0 110.33 -179.444 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 70' ' ' ARG . . . . . 0.665 ' HB2' ' HB1' ' A' ' 67' ' ' ALA . 66.3 mtt-85 -76.18 -21.4 56.54 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.02 177.103 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -68.38 -52.65 30.65 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-O 120.885 0.374 . . . . 0.0 110.075 175.25 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 72' ' ' ASN . . . . . . . . . . . . . 86.0 m-20 -57.89 -37.11 73.38 Favored 'General case' 0 N--CA 1.464 0.249 0 CA-C-N 115.984 -0.553 . . . . 0.0 110.321 173.708 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 73' ' ' LYS . . . . . 0.589 ' HB2' ' HA ' ' A' ' 70' ' ' ARG . 12.3 mptt -59.18 -57.6 12.32 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 115.826 -0.624 . . . . 0.0 110.469 176.332 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -50.83 -47.25 60.21 Favored 'General case' 0 N--CA 1.463 0.222 0 O-C-N 123.409 0.443 . . . . 0.0 110.93 -179.32 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 77.9 ttt180 -55.35 -51.32 67.17 Favored 'General case' 0 C--N 1.323 -0.554 0 CA-C-N 115.426 -0.806 . . . . 0.0 111.42 179.448 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 56.4 ttt-85 -71.96 -39.9 69.03 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.141 -176.873 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 77' ' ' ARG . . . . . 0.628 ' HD3' ' HH2' ' A' ' 14' ' ' TRP . 2.5 mmp_? -62.91 -40.83 98.79 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.613 -179.225 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 78' ' ' CYS . . . . . . . . . . . . . 74.1 m -64.43 -36.73 85.12 Favored 'General case' 0 C--N 1.333 -0.115 0 CA-C-N 116.587 -0.279 . . . . 0.0 110.509 177.717 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . -55.54 -39.36 74.22 Favored Glycine 0 C--N 1.333 0.396 0 C-N-CA 121.026 -0.607 . . . . 0.0 111.829 174.609 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 39.7 mt-10 -64.97 -42.1 94.87 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.479 0.18 . . . . 0.0 110.913 175.33 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 60.3 t -60.31 -43.54 93.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-O 120.958 0.408 . . . . 0.0 110.254 178.278 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 82' ' ' PHE . . . . . 0.531 ' HB3' ' HB3' ' A' ' 94' ' ' ASN . 25.5 m-85 -59.84 -48.06 83.23 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 115.781 -0.645 . . . . 0.0 110.663 177.069 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 83' ' ' ARG . . . . . 0.501 ' O ' HG23 ' A' ' 87' ' ' VAL . 43.1 ttm180 -64.59 -40.52 95.66 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.845 179.509 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 84' ' ' TYR . . . . . . . . . . . . . 18.3 t80 -57.28 -39.89 76.63 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-O 121.303 0.573 . . . . 0.0 109.708 177.719 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 85' ' ' ALA . . . . . 0.516 ' HB2' HG21 ' A' ' 10' ' ' ILE . . . -69.37 -39.18 78.22 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 115.511 -0.768 . . . . 0.0 111.354 177.826 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 86' ' ' ILE . . . . . 0.487 HG13 ' O ' ' A' ' 82' ' ' PHE . 87.1 mt -62.7 -46.36 96.55 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.529 0 CA-C-O 120.787 0.327 . . . . 0.0 110.375 178.565 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 87' ' ' VAL . . . . . 0.501 HG23 ' O ' ' A' ' 83' ' ' ARG . 59.9 t -63.03 -39.74 86.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.154 -0.476 . . . . 0.0 111.157 -179.997 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 88' ' ' THR . . . . . . . . . . . . . 23.7 p -80.99 -0.45 39.62 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 116.307 -0.406 . . . . 0.0 111.73 -177.556 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . 71.16 34.52 64.46 Favored Glycine 0 C--N 1.33 0.214 0 C-N-CA 120.831 -0.7 . . . . 0.0 112.243 179.926 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 90' ' ' ARG . . . . . 0.45 ' HA ' ' HE ' ' A' ' 90' ' ' ARG . 1.7 mmp_? -110.91 -13.44 14.12 Favored 'General case' 0 C--N 1.32 -0.691 0 CA-C-O 120.823 0.344 . . . . 0.0 110.758 -179.816 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . -145.9 154.97 42.55 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.604 -0.271 . . . . 0.0 110.493 177.836 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 63.0 mttp -97.62 -36.57 10.23 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.641 -0.254 . . . . 0.0 111.64 -179.389 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 93' ' ' TYR . . . . . . . . . . . . . 12.2 p90 -147.19 173.09 12.86 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-O 120.656 0.265 . . . . 0.0 110.866 -174.443 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 94' ' ' ASN . . . . . 0.531 ' HB3' ' HB3' ' A' ' 82' ' ' PHE . 7.4 p30 -119.99 130.93 24.6 Favored Pre-proline 0 C--N 1.326 -0.423 0 CA-C-N 116.269 -0.423 . . . . 0.0 109.981 176.053 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 95' ' ' PRO . . . . . 0.451 ' HD3' ' HA ' ' A' ' 94' ' ' ASN . 4.2 Cg_exo -75.94 26.36 0.41 Allowed 'Trans proline' 0 CA--C 1.53 0.281 0 C-N-CA 123.178 2.585 . . . . 0.0 112.661 179.544 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 96' ' ' ALA . . . . . 0.574 ' N ' ' HD2' ' A' ' 97' ' ' PRO . . . -65.0 -46.35 74.26 Favored Pre-proline 0 CA--C 1.537 0.461 0 N-CA-C 112.482 0.549 . . . . 0.0 112.482 -178.116 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 97' ' ' PRO . . . . . 0.574 ' HD2' ' N ' ' A' ' 96' ' ' ALA . 11.5 Cg_endo -56.0 -42.5 66.12 Favored 'Trans proline' 0 C--N 1.355 0.878 0 C-N-CA 122.109 1.872 . . . . 0.0 112.263 175.616 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 26.8 m-20 -70.97 -32.97 69.98 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.379 179.891 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 99' ' ' LEU . . . . . 0.481 ' HB2' HD23 ' A' ' 55' ' ' LEU . 2.5 tm? -58.63 -46.57 86.8 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 115.654 -0.703 . . . . 0.0 110.189 176.348 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 100' ' ' ALA . . . . . . . . . . . . . . . -68.39 -33.46 74.28 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.823 179.915 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 35.3 t70 -68.0 -46.57 70.9 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 115.789 -0.641 . . . . 0.0 110.878 -179.328 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -66.13 -36.61 83.59 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-N 115.952 -0.567 . . . . 0.0 110.872 178.603 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 103' ' ' MET . . . . . . . . . . . . . 47.4 ttm -64.26 -31.31 72.46 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 115.858 -0.61 . . . . 0.0 110.612 178.758 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 104' ' ' LYS . . . . . . . . . . . . . 6.8 ttpm? -75.06 -19.42 60.0 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 115.702 -0.681 . . . . 0.0 111.101 -177.325 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 105' ' ' GLY . . . . . . . . . . . . . . . -132.24 50.99 0.87 Allowed Glycine 0 N--CA 1.451 -0.358 0 C-N-CA 120.66 -0.781 . . . . 0.0 112.363 -178.664 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 106' ' ' TYR . . . . . 0.428 ' CE1' ' HD3' ' A' ' 60' ' ' ARG . 82.0 t80 -70.05 -30.17 67.36 Favored 'General case' 0 C--N 1.325 -0.466 0 N-CA-C 111.96 0.356 . . . . 0.0 111.96 -176.92 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 107' ' ' ARG . . . . . . . . . . . . . 60.9 mtt-85 -76.71 -19.24 57.91 Favored 'General case' 0 C--N 1.331 -0.219 0 C-N-CA 121.077 -0.249 . . . . 0.0 111.437 -178.586 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 108' ' ' LYS . . . . . . . . . . . . . 55.8 mttm 62.09 33.15 17.22 Favored 'General case' 0 C--O 1.234 0.248 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.551 178.762 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 109' ' ' LYS . . . . . 0.698 ' HE3' HD12 ' A' ' 111' ' ' LEU . 88.5 tttt -73.27 99.1 2.8 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 121.351 0.596 . . . . 0.0 110.37 -179.095 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 110' ' ' ASN . . . . . . . . . . . . . 30.2 p-10 -89.01 15.67 8.26 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-N 115.526 -0.761 . . . . 0.0 110.914 -177.958 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 111' ' ' LEU . . . . . 0.698 HD12 ' HE3' ' A' ' 109' ' ' LYS . 83.8 mt -82.39 152.32 26.24 Favored 'General case' 0 C--N 1.323 -0.546 0 CA-C-N 115.955 -0.566 . . . . 0.0 110.27 179.868 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 112' ' ' GLU . . . . . . . . . . . . . 35.5 mp0 -69.1 171.32 8.45 Favored 'General case' 0 C--N 1.323 -0.576 0 CA-C-N 116.016 -0.538 . . . . 0.0 110.404 179.01 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 113' ' ' HIS . . . . . . . . . . . . . 87.0 m-70 -95.05 -43.77 7.98 Favored 'General case' 0 C--N 1.322 -0.622 0 N-CA-C 109.426 -0.583 . . . . 0.0 109.426 178.535 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 114' ' ' HIS . . . . . . . . . . . . . 96.2 m-70 -135.42 131.48 36.28 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 115.55 -0.75 . . . . 0.0 109.866 178.655 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 115' ' ' HIS . . . . . . . . . . . . . 61.9 m80 -103.85 -74.11 0.65 Allowed 'General case' 0 C--N 1.321 -0.668 0 CA-C-O 120.927 0.394 . . . . 0.0 110.311 179.809 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 116' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -174.4 -57.0 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.458 0 N-CA-C 109.049 -0.722 . . . . 0.0 109.049 178.617 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 117' ' ' HIS . . . . . . . . . . . . . 51.3 t-80 -77.04 -41.06 44.04 Favored 'General case' 0 C--N 1.325 -0.482 0 N-CA-C 108.441 -0.948 . . . . 0.0 108.441 173.114 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 118' ' ' HIS . . . . . . . . . . . . . 16.6 t-160 . . . . . 0 C--O 1.247 0.947 0 CA-C-N 115.071 -0.968 . . . . 0.0 108.812 171.915 . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 50.5 m . . . . . 0 N--CA 1.477 0.912 0 CA-C-O 121.082 0.468 . . . . 0.0 111.04 . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 43.3 m -136.49 100.69 4.43 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-N 115.924 -0.58 . . . . 0.0 109.651 175.545 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 3' ' ' ASN . . . . . . . . . . . . . 10.6 t-20 -89.94 168.92 11.66 Favored 'General case' 0 C--N 1.323 -0.562 0 CA-C-N 115.88 -0.6 . . . . 0.0 109.989 -176.624 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 4' ' ' ASN . . . . . . . . . . . . . 66.5 t30 -66.77 -38.37 86.43 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.955 0.407 . . . . 0.0 111.088 -177.323 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 45.8 m-80 -97.98 13.02 32.27 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.383 -0.371 . . . . 0.0 110.665 179.459 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 12.3 t -66.11 139.45 58.16 Favored 'General case' 0 N--CA 1.449 -0.511 0 N-CA-C 109.495 -0.557 . . . . 0.0 109.495 -179.438 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 7' ' ' PHE . . . . . . . . . . . . . 31.8 t80 -57.38 -37.56 72.85 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 115.931 -0.577 . . . . 0.0 110.855 -176.545 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 13.4 p -61.61 -39.47 91.34 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.523 -0.308 . . . . 0.0 111.416 179.818 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -65.39 -51.43 60.45 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.132 -0.485 . . . . 0.0 111.039 -178.133 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 10' ' ' ILE . . . . . 0.544 HG12 HH11 ' A' ' 90' ' ' ARG . 52.9 mt -69.1 -34.38 63.33 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.437 0 CA-C-N 115.915 -0.584 . . . . 0.0 110.675 -178.566 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 29.1 t80 -60.63 -39.08 86.92 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.016 -0.538 . . . . 0.0 110.635 175.101 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 23.8 tptm -62.53 -46.31 88.96 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.322 -0.399 . . . . 0.0 110.302 179.576 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 45.0 mt-10 -59.47 -49.05 79.28 Favored 'General case' 0 C--O 1.234 0.242 0 CA-C-O 121.171 0.51 . . . . 0.0 110.442 177.447 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 14' ' ' TRP . . . . . . . . . . . . . 57.4 t90 -58.56 -52.28 66.34 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 115.252 -0.886 . . . . 0.0 111.37 -179.718 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 15' ' ' TYR . . . . . 0.444 ' CE1' ' HB2' ' A' ' 31' ' ' ALA . 39.6 t80 -63.69 -51.24 65.94 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.42 -0.354 . . . . 0.0 111.584 -177.997 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -58.89 -38.07 78.02 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.994 0.426 . . . . 0.0 110.765 -175.376 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 17' ' ' HIS . . . . . . . . . . . . . 51.5 t60 -70.24 -53.2 18.0 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 116.029 -0.532 . . . . 0.0 111.312 179.91 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 47.1 mtpt -80.4 -1.6 42.05 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-O 120.749 0.309 . . . . 0.0 111.64 -175.003 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 35.1 ttpt -65.0 -24.59 67.55 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-O 121.138 0.494 . . . . 0.0 109.942 172.702 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 83.0 mt-30 -78.02 -20.54 52.31 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 115.938 -0.574 . . . . 0.0 110.161 177.004 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 35.7 t -87.65 -42.1 14.9 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 CA-C-N 115.686 -0.688 . . . . 0.0 110.904 -174.802 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 22' ' ' TRP . . . . . . . . . . . . . 16.0 m0 -90.55 165.19 13.9 Favored 'General case' 0 C--N 1.32 -0.697 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.633 -178.582 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 12.9 m -68.85 142.63 54.78 Favored 'General case' 0 C--N 1.323 -0.561 0 N-CA-C 108.748 -0.834 . . . . 0.0 108.748 171.18 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 7.3 p -61.83 -31.24 50.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 C-N-CA 121.001 -0.279 . . . . 0.0 111.316 -173.779 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -64.2 -47.04 88.99 Favored Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.751 -0.738 . . . . 0.0 111.645 176.402 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 26' ' ' TYR . . . . . . . . . . . . . 89.7 t80 -67.5 -43.68 80.32 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-O 120.748 0.309 . . . . 0.0 110.391 178.437 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -60.6 -45.7 93.02 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 115.952 -0.567 . . . . 0.0 111.187 -178.498 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 24.7 m -69.34 -37.05 77.51 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-N 116.533 -0.303 . . . . 0.0 111.11 -178.834 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 35.1 tt0 -64.87 -46.9 79.88 Favored 'General case' 0 C--O 1.232 0.161 0 CA-C-O 120.908 0.385 . . . . 0.0 110.181 177.564 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 10.2 tt -60.97 -47.94 84.11 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 115.813 -0.63 . . . . 0.0 110.175 179.594 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 31' ' ' ALA . . . . . 0.444 ' HB2' ' CE1' ' A' ' 15' ' ' TYR . . . -65.93 -38.78 89.56 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 115.902 -0.59 . . . . 0.0 111.621 -178.212 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 32' ' ' LYS . . . . . 0.514 ' HA ' ' HD2' ' A' ' 32' ' ' LYS . 17.2 tptt -67.04 -44.17 80.9 Favored 'General case' 0 C--N 1.33 -0.273 0 C-N-CA 120.792 -0.363 . . . . 0.0 110.38 -177.898 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 33' ' ' MET . . . . . . . . . . . . . 48.1 ttp -62.39 -40.06 95.25 Favored 'General case' 0 C--N 1.322 -0.592 0 CA-C-N 115.931 -0.577 . . . . 0.0 109.874 176.943 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 34' ' ' PHE . . . . . 0.404 ' O ' ' HB ' ' A' ' 38' ' ' ILE . 6.6 t80 -62.38 -49.96 73.46 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 115.321 -0.854 . . . . 0.0 110.637 -179.311 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 35' ' ' ASP . . . . . 0.54 ' HA ' ' HB2' ' A' ' 39' ' ' LEU . 0.9 OUTLIER -72.45 -41.83 65.69 Favored 'General case' 0 C--N 1.33 -0.261 0 C-N-CA 120.149 -0.621 . . . . 0.0 110.775 -177.581 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 37.4 t70 -64.02 -28.22 69.65 Favored 'General case' 0 C--N 1.328 -0.334 0 N-CA-C 112.202 0.445 . . . . 0.0 112.202 -173.468 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 37' ' ' ASP . . . . . 0.529 ' HB3' ' HG2' ' A' ' 61' ' ' ARG . 33.7 m-20 -113.79 -47.72 2.96 Favored 'General case' 0 C--N 1.323 -0.558 0 N-CA-C 112.307 0.484 . . . . 0.0 112.307 179.913 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 38' ' ' ILE . . . . . 0.582 HG12 HG13 ' A' ' 58' ' ' VAL . 16.9 mt -81.69 -29.05 10.12 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.532 0 N-CA-C 112.326 0.491 . . . . 0.0 112.326 -169.888 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 39' ' ' LEU . . . . . 0.54 ' HB2' ' HA ' ' A' ' 35' ' ' ASP . 0.3 OUTLIER -64.15 -49.33 74.1 Favored Pre-proline 0 CA--C 1.537 0.474 0 C-N-CA 120.714 -0.394 . . . . 0.0 111.53 -174.906 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 27.8 Cg_exo -63.78 -11.32 26.1 Favored 'Trans proline' 0 C--N 1.352 0.738 0 C-N-CA 121.966 1.777 . . . . 0.0 112.682 177.954 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 41' ' ' ILE . . . . . 0.558 HG22 HG23 ' A' ' 42' ' ' ILE . 43.2 mm -92.91 -57.35 4.4 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.615 -0.266 . . . . 0.0 111.363 -177.695 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 42' ' ' ILE . . . . . 0.558 HG23 HG22 ' A' ' 41' ' ' ILE . 12.4 pt -130.43 5.17 2.17 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.202 0 N-CA-C 112.605 0.594 . . . . 0.0 112.605 -175.343 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 43' ' ' GLY . . . . . 0.414 ' HA3' HD13 ' A' ' 39' ' ' LEU . . . -57.54 -36.41 77.6 Favored Glycine 0 CA--C 1.519 0.295 0 C-N-CA 120.825 -0.703 . . . . 0.0 113.206 -174.381 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -96.62 12.99 65.91 Favored Glycine 0 N--CA 1.45 -0.417 0 C-N-CA 120.492 -0.861 . . . . 0.0 112.973 -177.921 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 96.7 mt -96.81 156.7 16.24 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 116.954 0.377 . . . . 0.0 110.836 -178.885 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 7.7 mm-40 -73.24 129.03 37.16 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-N 115.701 -0.681 . . . . 0.0 109.467 174.9 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 47' ' ' ILE . . . . . 0.505 HD13 ' HB2' ' A' ' 85' ' ' ALA . 13.8 tt -65.17 -18.12 23.21 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.599 0 CA-C-O 121.315 0.579 . . . . 0.0 110.693 -177.991 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 96.7 mt-30 -81.56 -16.33 52.01 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 115.78 -0.646 . . . . 0.0 110.775 177.854 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 25.9 t70 -144.22 81.98 1.69 Allowed 'General case' 0 C--N 1.327 -0.397 0 CA-C-O 121.24 0.543 . . . . 0.0 111.244 -176.722 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 50' ' ' ILE . . . . . . . . . . . . . 72.5 mt -118.91 130.38 73.81 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.646 0 CA-C-N 115.53 -0.759 . . . . 0.0 109.316 174.098 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 51' ' ' GLU . . . . . 0.795 ' HB2' ' HB2' ' A' ' 54' ' ' GLN . 9.8 mt-10 -66.79 144.0 98.35 Favored Pre-proline 0 C--N 1.326 -0.429 0 CA-C-N 116.338 -0.392 . . . . 0.0 110.482 -176.063 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 52' ' ' PRO . . . . . . . . . . . . . 31.6 Cg_exo -58.92 -41.26 63.87 Favored 'Trans proline' 0 C--N 1.34 0.103 0 C-N-CA 122.234 1.956 . . . . 0.0 111.529 178.105 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 53' ' ' MET . . . . . 0.516 ' HA ' ' HB3' ' A' ' 56' ' ' LEU . 66.7 mtt -80.52 -8.33 59.54 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.66 -179.98 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 54' ' ' GLN . . . . . 0.795 ' HB2' ' HB2' ' A' ' 51' ' ' GLU . 41.4 tp60 -83.92 -46.81 11.7 Favored 'General case' 0 C--N 1.326 -0.421 0 N-CA-C 108.855 -0.795 . . . . 0.0 108.855 176.76 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 26.6 tp -67.01 -30.82 71.03 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 115.446 -0.797 . . . . 0.0 109.047 173.843 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 56' ' ' LEU . . . . . 0.516 ' HB3' ' HA ' ' A' ' 53' ' ' MET . 2.0 tm? -67.06 -32.65 73.97 Favored 'General case' 0 C--O 1.223 -0.34 0 CA-C-N 115.683 -0.689 . . . . 0.0 109.583 174.282 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 57' ' ' GLU . . . . . 0.458 ' HG2' HD12 ' A' ' 41' ' ' ILE . 36.3 tt0 -61.97 -35.21 77.8 Favored 'General case' 0 C--N 1.328 -0.33 0 N-CA-C 109.971 -0.381 . . . . 0.0 109.971 175.966 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 58' ' ' VAL . . . . . 0.582 HG13 HG12 ' A' ' 38' ' ' ILE . 85.5 t -61.35 -56.67 16.31 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.393 0 CA-C-O 121.098 0.475 . . . . 0.0 110.919 172.835 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 59' ' ' ILE . . . . . . . . . . . . . 1.8 mp -56.39 -45.23 81.59 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.408 0 CA-C-N 116.022 -0.536 . . . . 0.0 110.327 178.765 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 60' ' ' ARG . . . . . 0.4 HH11 ' HD3' ' A' ' 60' ' ' ARG . 43.4 ttt-85 -64.59 -34.87 79.27 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 115.539 -0.755 . . . . 0.0 110.702 -179.442 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 61' ' ' ARG . . . . . 0.578 ' HB3' ' O ' ' A' ' 58' ' ' VAL . 8.8 tpt180 -52.39 -43.33 64.67 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 115.82 -0.627 . . . . 0.0 110.195 175.349 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 62' ' ' PHE . . . . . . . . . . . . . 91.7 m-85 -79.33 -40.38 30.45 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 115.955 -0.566 . . . . 0.0 111.457 177.848 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 35.5 mt-10 -60.31 -36.08 77.08 Favored 'General case' 0 N--CA 1.466 0.344 0 N-CA-C 111.741 0.274 . . . . 0.0 111.741 179.947 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 29.1 t70 -60.02 -28.74 67.99 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 116.021 -0.536 . . . . 0.0 111.018 -179.475 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 41.4 mtm-85 -99.8 -3.17 33.28 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.037 -179.728 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 92.54 1.5 68.55 Favored Glycine 0 N--CA 1.45 -0.429 0 C-N-CA 120.561 -0.828 . . . . 0.0 113.225 174.028 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 67' ' ' ALA . . . . . 0.404 ' HB1' ' HB2' ' A' ' 70' ' ' ARG . . . -77.71 85.87 4.01 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-O 121.052 0.453 . . . . 0.0 110.142 179.155 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 68' ' ' MET . . . . . 0.553 ' HA ' ' CE ' ' A' ' 68' ' ' MET . 0.0 OUTLIER -70.71 -45.0 65.73 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-N 115.926 -0.579 . . . . 0.0 110.826 -174.382 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 49.9 mt-10 -60.48 -47.39 86.36 Favored 'General case' 0 CA--C 1.516 -0.359 0 CA-C-O 120.995 0.426 . . . . 0.0 110.499 179.224 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 70' ' ' ARG . . . . . 0.539 ' HA ' ' HB2' ' A' ' 73' ' ' LYS . 62.5 mtt85 -74.78 -18.85 60.41 Favored 'General case' 0 C--N 1.323 -0.57 0 CA-C-N 115.783 -0.644 . . . . 0.0 111.883 -174.06 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -70.13 -42.96 71.93 Favored 'General case' 0 C--N 1.327 -0.41 0 N-CA-C 109.387 -0.598 . . . . 0.0 109.387 170.386 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 72' ' ' ASN . . . . . . . . . . . . . 57.3 t30 -71.17 -39.19 72.04 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 115.448 -0.796 . . . . 0.0 110.252 177.44 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 73' ' ' LYS . . . . . 0.539 ' HB2' ' HA ' ' A' ' 70' ' ' ARG . 67.8 mttm -56.88 -41.65 78.4 Favored 'General case' 0 CA--C 1.519 -0.235 0 CA-C-N 115.994 -0.548 . . . . 0.0 110.576 175.829 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -59.49 -49.75 76.57 Favored 'General case' 0 N--CA 1.453 -0.302 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.285 177.955 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 75' ' ' ARG . . . . . 0.405 ' NH2' ' HB2' ' A' ' 100' ' ' ALA . 41.9 ttt180 -57.45 -48.24 79.69 Favored 'General case' 0 CA--C 1.532 0.259 0 CA-C-O 120.871 0.367 . . . . 0.0 110.824 177.36 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 85.3 mtt180 -65.21 -46.01 82.42 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.099 -0.5 . . . . 0.0 112.239 -177.373 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 77' ' ' ARG . . . . . 0.467 ' O ' HG23 ' A' ' 81' ' ' VAL . 26.7 mmt180 -73.21 -39.14 65.76 Favored 'General case' 0 C--N 1.326 -0.424 0 N-CA-C 111.654 0.242 . . . . 0.0 111.654 -177.093 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 78' ' ' CYS . . . . . . . . . . . . . 78.5 m -62.73 -41.44 99.17 Favored 'General case' 0 C--N 1.328 -0.35 0 N-CA-C 109.49 -0.559 . . . . 0.0 109.49 174.833 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . -63.1 -26.7 69.46 Favored Glycine 0 N--CA 1.452 -0.258 0 C-N-CA 121.16 -0.543 . . . . 0.0 112.209 176.991 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 31.8 tt0 -75.51 -33.69 60.76 Favored 'General case' 0 C--N 1.326 -0.413 0 N-CA-C 109.549 -0.538 . . . . 0.0 109.549 176.693 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 81' ' ' VAL . . . . . 0.467 HG23 ' O ' ' A' ' 77' ' ' ARG . 61.1 t -66.76 -43.0 90.2 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.23 0 CA-C-N 115.895 -0.593 . . . . 0.0 109.944 173.822 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 82' ' ' PHE . . . . . 0.504 ' O ' HG13 ' A' ' 86' ' ' ILE . 58.3 m-85 -59.19 -42.99 92.19 Favored 'General case' 0 C--O 1.231 0.086 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.254 174.813 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 83' ' ' ARG . . . . . 0.447 ' O ' HG23 ' A' ' 87' ' ' VAL . 34.6 ttt-85 -58.16 -47.48 83.24 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-N 116.361 -0.381 . . . . 0.0 110.305 176.586 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 84' ' ' TYR . . . . . . . . . . . . . 82.7 t80 -59.94 -37.91 80.9 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 115.981 -0.554 . . . . 0.0 110.26 178.519 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 85' ' ' ALA . . . . . 0.507 ' HA ' HG22 ' A' ' 88' ' ' THR . . . -64.26 -35.0 79.4 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.98 177.357 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 86' ' ' ILE . . . . . 0.504 HG13 ' O ' ' A' ' 82' ' ' PHE . 67.9 mt -68.85 -46.16 79.65 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.52 0 N-CA-C 109.84 -0.43 . . . . 0.0 109.84 175.528 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 87' ' ' VAL . . . . . 0.447 HG23 ' O ' ' A' ' 83' ' ' ARG . 82.0 t -62.45 -36.35 74.39 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.248 0 CA-C-N 115.885 -0.598 . . . . 0.0 111.317 -179.607 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 88' ' ' THR . . . . . 0.507 HG22 ' HA ' ' A' ' 85' ' ' ALA . 6.1 t -82.34 -3.77 56.02 Favored 'General case' 0 CA--C 1.535 0.385 0 CA-C-O 121.067 0.461 . . . . 0.0 110.609 179.901 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . 79.84 42.53 11.04 Favored Glycine 0 N--CA 1.452 -0.263 0 C-N-CA 121.023 -0.608 . . . . 0.0 113.23 174.941 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 90' ' ' ARG . . . . . 0.544 HH11 HG12 ' A' ' 10' ' ' ILE . 82.1 mtt180 -120.64 -40.92 2.61 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-O 120.787 0.327 . . . . 0.0 111.063 177.125 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . -106.05 165.96 10.84 Favored 'General case' 0 C--N 1.325 -0.5 0 CA-C-N 116.563 -0.29 . . . . 0.0 110.807 -179.124 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 63.3 mttm -108.63 -46.25 3.7 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 116.303 -0.408 . . . . 0.0 111.255 -179.578 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 93' ' ' TYR . . . . . . . . . . . . . 53.5 p90 -145.63 166.59 25.33 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.06 -178.592 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 94' ' ' ASN . . . . . 0.434 ' O ' ' HD2' ' A' ' 97' ' ' PRO . 1.4 m-80 -95.52 131.29 29.87 Favored Pre-proline 0 C--N 1.323 -0.579 0 N-CA-C 108.99 -0.744 . . . . 0.0 108.99 177.666 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 95' ' ' PRO . . . . . . . . . . . . . 74.2 Cg_endo -76.67 17.85 0.76 Allowed 'Trans proline' 0 N--CA 1.464 -0.206 0 C-N-CA 122.439 2.093 . . . . 0.0 112.049 177.828 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 96' ' ' ALA . . . . . 0.525 ' N ' ' HD2' ' A' ' 97' ' ' PRO . . . -57.64 -49.11 95.66 Favored Pre-proline 0 CA--C 1.536 0.406 0 CA-C-N 115.882 -0.599 . . . . 0.0 112.003 179.607 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 97' ' ' PRO . . . . . 0.525 ' HD2' ' N ' ' A' ' 96' ' ' ALA . 11.5 Cg_endo -56.38 -42.54 64.78 Favored 'Trans proline' 0 C--N 1.356 0.95 0 C-N-CA 122.228 1.952 . . . . 0.0 112.591 175.88 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 1.1 t70 -71.54 -33.33 69.06 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-O 121.245 0.545 . . . . 0.0 110.045 -178.27 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 99' ' ' LEU . . . . . . . . . . . . . 3.1 tm? -59.07 -40.09 84.11 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 115.446 -0.797 . . . . 0.0 109.675 173.392 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 100' ' ' ALA . . . . . 0.448 ' O ' ' HB2' ' A' ' 104' ' ' LYS . . . -65.57 -34.43 78.21 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 115.741 -0.663 . . . . 0.0 110.627 179.384 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -75.75 -32.34 59.93 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.392 -0.367 . . . . 0.0 111.563 178.791 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -63.1 -51.54 66.19 Favored 'General case' 0 C--N 1.327 -0.395 0 N-CA-C 109.819 -0.437 . . . . 0.0 109.819 174.721 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 103' ' ' MET . . . . . . . . . . . . . 32.2 ttm -59.77 -33.81 72.17 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 115.527 -0.76 . . . . 0.0 110.668 175.06 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 104' ' ' LYS . . . . . 0.448 ' HB2' ' O ' ' A' ' 100' ' ' ALA . 86.1 tttt -66.02 -57.65 7.29 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 115.147 -0.933 . . . . 0.0 110.972 -179.291 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 105' ' ' GLY . . . . . . . . . . . . . . . -72.4 -18.67 78.44 Favored Glycine 0 N--CA 1.451 -0.342 0 CA-C-N 115.663 -0.699 . . . . 0.0 112.278 -179.538 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 106' ' ' TYR . . . . . . . . . . . . . 67.5 t80 -56.99 -33.3 66.98 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-O 120.894 0.378 . . . . 0.0 111.002 177.689 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 107' ' ' ARG . . . . . . . . . . . . . 89.8 mtt-85 -78.49 12.74 1.85 Allowed 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.68 -174.013 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 108' ' ' LYS . . . . . . . . . . . . . 67.8 mttm -91.83 -23.49 19.67 Favored 'General case' 0 C--N 1.327 -0.386 0 N-CA-C 109.157 -0.683 . . . . 0.0 109.157 169.827 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 109' ' ' LYS . . . . . . . . . . . . . 78.3 tttt 73.52 -48.77 0.68 Allowed 'General case' 0 N--CA 1.468 0.474 0 CA-C-N 114.79 -1.096 . . . . 0.0 111.464 -178.458 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 110' ' ' ASN . . . . . . . . . . . . . 59.3 t30 -105.79 131.23 53.39 Favored 'General case' 0 C--N 1.322 -0.589 0 N-CA-C 109.397 -0.594 . . . . 0.0 109.397 174.919 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 111' ' ' LEU . . . . . 0.485 HD12 ' ND1' ' A' ' 117' ' ' HIS . 89.1 mt -86.03 172.63 10.48 Favored 'General case' 0 C--N 1.323 -0.556 0 CA-C-O 121.326 0.584 . . . . 0.0 111.486 -176.691 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 112' ' ' GLU . . . . . . . . . . . . . 5.3 pt-20 -67.14 -24.68 65.92 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 115.206 -0.906 . . . . 0.0 111.629 -179.476 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 113' ' ' HIS . . . . . 0.454 ' HB3' ' O ' ' A' ' 115' ' ' HIS . 21.7 m80 -127.88 123.4 34.95 Favored 'General case' 0 C--N 1.322 -0.612 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.903 -177.811 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 114' ' ' HIS . . . . . . . . . . . . . 11.1 t-80 -77.66 -35.33 52.55 Favored 'General case' 0 C--N 1.326 -0.417 0 N-CA-C 109.459 -0.571 . . . . 0.0 109.459 176.368 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 115' ' ' HIS . . . . . 0.454 ' O ' ' HB3' ' A' ' 113' ' ' HIS . 61.4 m-70 -102.62 140.22 37.19 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-N 115.736 -0.665 . . . . 0.0 109.378 170.922 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 116' ' ' HIS . . . . . . . . . . . . . 58.8 t-80 62.58 83.47 0.16 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 121.467 0.651 . . . . 0.0 110.483 -178.293 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 117' ' ' HIS . . . . . 0.485 ' ND1' HD12 ' A' ' 111' ' ' LEU . 53.9 m-70 -87.84 -26.07 22.99 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-N 115.531 -0.759 . . . . 0.0 109.73 -179.502 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 118' ' ' HIS . . . . . . . . . . . . . 50.7 t-80 . . . . . 0 C--O 1.246 0.914 0 CA-C-N 115.332 -0.849 . . . . 0.0 110.229 -178.024 . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 22.9 m . . . . . 0 N--CA 1.475 0.802 0 CA-C-O 120.879 0.371 . . . . 0.0 110.256 . . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 50.9 m -129.45 112.33 13.69 Favored 'General case' 0 C--N 1.322 -0.595 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.313 -175.621 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 3' ' ' ASN . . . . . . . . . . . . . 93.3 m-20 61.12 85.7 0.11 Allowed 'General case' 0 C--N 1.333 -0.15 0 CA-C-N 115.458 -0.792 . . . . 0.0 110.615 -177.392 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 4' ' ' ASN . . . . . 0.411 ' O ' ' HG2' ' A' ' 46' ' ' GLU . 19.0 m-80 -87.78 -11.48 47.9 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 115.72 -0.673 . . . . 0.0 110.079 -178.224 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 47.9 t30 61.66 32.16 18.51 Favored 'General case' 0 N--CA 1.465 0.287 0 CA-C-N 115.417 -0.81 . . . . 0.0 110.027 -179.711 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 5.9 m -66.11 141.59 58.06 Favored 'General case' 0 C--O 1.238 0.461 0 CA-C-N 115.336 -0.847 . . . . 0.0 110.763 -178.858 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 7' ' ' PHE . . . . . 0.426 ' HE1' ' CZ ' ' A' ' 34' ' ' PHE . 19.7 t80 -55.33 -48.07 74.71 Favored 'General case' 0 C--N 1.324 -0.539 0 CA-C-N 115.727 -0.669 . . . . 0.0 110.782 -178.963 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 8' ' ' SER . . . . . 0.559 ' HA ' ' HB3' ' A' ' 11' ' ' TYR . 49.7 m -60.68 -31.44 70.68 Favored 'General case' 0 N--CA 1.462 0.159 0 N-CA-C 112.29 0.478 . . . . 0.0 112.29 -178.917 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -65.56 -49.83 67.41 Favored 'General case' 0 C--O 1.236 0.386 0 CA-C-O 121.197 0.522 . . . . 0.0 110.284 -179.629 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 10' ' ' ILE . . . . . 0.483 HD12 HG21 ' A' ' 47' ' ' ILE . 60.4 mt -70.81 -34.59 56.84 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.433 0 CA-C-N 115.712 -0.676 . . . . 0.0 110.086 177.811 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 11' ' ' TYR . . . . . 0.559 ' HB3' ' HA ' ' A' ' 8' ' ' SER . 2.9 t80 -54.7 -44.69 73.64 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 115.987 -0.551 . . . . 0.0 111.182 175.716 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 79.1 tttt -66.09 -45.68 80.36 Favored 'General case' 0 C--N 1.328 -0.333 0 C-N-CA 120.875 -0.33 . . . . 0.0 110.792 -179.954 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 30.6 tt0 -61.2 -45.04 96.22 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-O 121.18 0.514 . . . . 0.0 109.764 179.215 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 14' ' ' TRP . . . . . 0.427 ' CZ2' ' HH2' ' A' ' 22' ' ' TRP . 57.3 t90 -57.75 -50.39 73.4 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 115.086 -0.961 . . . . 0.0 110.775 176.308 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 15' ' ' TYR . . . . . . . . . . . . . 22.1 t80 -57.85 -51.13 70.87 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 115.544 -0.753 . . . . 0.0 111.557 179.613 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 42.2 tt0 -65.8 -31.84 73.03 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-O 121.017 0.437 . . . . 0.0 110.968 -176.558 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 17' ' ' HIS . . . . . . . . . . . . . 86.0 t60 -75.05 -51.55 13.26 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.86 179.457 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 6.8 mmmm -75.86 -7.49 54.62 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.448 -0.342 . . . . 0.0 111.223 -177.066 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 56.4 tttm -60.32 -27.9 67.71 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.043 -0.526 . . . . 0.0 110.65 174.048 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 81.5 mt-30 -74.77 -19.94 60.01 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 115.964 -0.562 . . . . 0.0 110.267 179.334 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 39.2 t -91.26 -40.47 12.55 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.518 0 CA-C-N 115.894 -0.593 . . . . 0.0 110.659 -176.612 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 22' ' ' TRP . . . . . 0.427 ' HH2' ' CZ2' ' A' ' 14' ' ' TRP . 9.3 m0 -91.47 -179.85 5.49 Favored 'General case' 0 C--N 1.322 -0.607 0 CA-C-O 121.215 0.531 . . . . 0.0 110.846 -179.149 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 10.4 m -87.27 147.4 25.55 Favored 'General case' 0 C--N 1.322 -0.596 0 N-CA-C 108.915 -0.772 . . . . 0.0 108.915 173.081 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 13.7 p -60.54 -43.49 94.58 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.359 0 N-CA-C 112.023 0.379 . . . . 0.0 112.023 -172.108 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -66.26 -45.42 86.52 Favored Glycine 0 N--CA 1.452 -0.237 0 C-N-CA 120.761 -0.733 . . . . 0.0 111.775 -179.902 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 26' ' ' TYR . . . . . . . . . . . . . 86.8 t80 -58.58 -46.81 86.14 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-O 120.791 0.329 . . . . 0.0 110.327 176.793 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -62.73 -36.64 83.65 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.022 -0.535 . . . . 0.0 111.012 -179.791 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 75.7 m -64.16 -49.33 72.52 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.402 -0.363 . . . . 0.0 111.054 179.063 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 25.2 mt-10 -68.43 -31.21 70.36 Favored 'General case' 0 C--N 1.329 -0.284 0 C-N-CA 120.926 -0.309 . . . . 0.0 110.917 -179.606 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 14.3 tp -63.6 -53.37 52.69 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.202 -0.454 . . . . 0.0 109.984 174.109 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -62.62 -42.99 99.9 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 115.464 -0.789 . . . . 0.0 111.301 -178.179 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 61.7 tttp -60.76 -43.53 97.89 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.559 -0.291 . . . . 0.0 110.998 179.803 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 33' ' ' MET . . . . . 0.473 ' SD ' ' HD3' ' A' ' 70' ' ' ARG . 53.0 ttp -63.02 -45.53 91.89 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-O 121.346 0.593 . . . . 0.0 110.061 177.796 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 34' ' ' PHE . . . . . 0.548 ' O ' ' HB ' ' A' ' 38' ' ' ILE . 4.9 t80 -60.65 -33.04 72.22 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-N 115.399 -0.819 . . . . 0.0 110.0 178.8 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 35' ' ' ASP . . . . . 0.739 ' O ' ' HB2' ' A' ' 39' ' ' LEU . 14.2 t70 -79.43 -59.24 2.83 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 116.113 -0.494 . . . . 0.0 111.439 -178.526 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 27.5 m-20 -67.58 -14.1 62.64 Favored 'General case' 0 C--N 1.327 -0.384 0 N-CA-C 112.632 0.604 . . . . 0.0 112.632 -173.067 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 -110.3 -47.71 3.26 Favored 'General case' 0 C--N 1.323 -0.559 0 N-CA-C 112.115 0.413 . . . . 0.0 112.115 179.945 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 38' ' ' ILE . . . . . 0.584 HG12 HG13 ' A' ' 58' ' ' VAL . 16.2 mt -91.41 -30.58 4.79 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.414 0 N-CA-C 112.464 0.542 . . . . 0.0 112.464 -170.387 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 39' ' ' LEU . . . . . 0.739 ' HB2' ' O ' ' A' ' 35' ' ' ASP . 0.4 OUTLIER -58.61 -48.25 97.24 Favored Pre-proline 0 N--CA 1.469 0.509 0 N-CA-C 112.728 0.64 . . . . 0.0 112.728 -177.002 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 18.7 Cg_exo -68.44 4.36 1.7 Allowed 'Trans proline' 0 C--N 1.355 0.902 0 C-N-CA 122.168 1.912 . . . . 0.0 112.809 179.045 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 41' ' ' ILE . . . . . 0.408 HG22 HG23 ' A' ' 42' ' ' ILE . 32.9 mm -110.74 -60.59 2.81 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 CA-C-O 120.615 0.245 . . . . 0.0 111.242 -179.816 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 42' ' ' ILE . . . . . 0.484 HG22 ' HB3' ' A' ' 54' ' ' GLN . 27.7 pt -125.24 16.23 4.34 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.197 0 N-CA-C 112.425 0.528 . . . . 0.0 112.425 -174.033 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 43' ' ' GLY . . . . . 0.486 ' HA3' HD13 ' A' ' 39' ' ' LEU . . . -52.07 -53.15 31.96 Favored Glycine 0 CA--C 1.521 0.412 0 C-N-CA 120.947 -0.644 . . . . 0.0 113.433 -175.274 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -94.24 18.63 56.48 Favored Glycine 0 N--CA 1.448 -0.5 0 C-N-CA 120.703 -0.76 . . . . 0.0 113.404 -176.171 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 45' ' ' LEU . . . . . 0.448 HD12 HG22 ' A' ' 42' ' ' ILE . 85.8 mt -92.73 150.86 20.38 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 117.38 0.59 . . . . 0.0 110.24 179.088 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 46' ' ' GLU . . . . . 0.468 ' O ' HG13 ' A' ' 50' ' ' ILE . 44.3 mt-10 -69.64 131.95 45.42 Favored 'General case' 0 CA--C 1.513 -0.453 0 N-CA-C 109.914 -0.402 . . . . 0.0 109.914 176.986 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 47' ' ' ILE . . . . . 0.504 HD13 ' HB2' ' A' ' 85' ' ' ALA . 15.1 tt -64.45 -16.45 19.36 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.766 0 CA-C-O 121.21 0.529 . . . . 0.0 111.2 -177.05 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 52.8 tt0 -99.12 -10.8 22.07 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-N 115.978 -0.556 . . . . 0.0 110.578 -179.437 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 36.7 t70 -140.0 85.02 2.0 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-O 121.215 0.531 . . . . 0.0 110.52 -178.184 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 50' ' ' ILE . . . . . 0.468 HG13 ' O ' ' A' ' 46' ' ' GLU . 71.6 mt -124.01 129.21 74.33 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.669 0 CA-C-N 115.9 -0.591 . . . . 0.0 109.958 178.112 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 46.2 mm-40 -66.6 135.82 94.63 Favored Pre-proline 0 C--N 1.325 -0.478 0 CA-C-N 115.764 -0.653 . . . . 0.0 110.261 178.453 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 52' ' ' PRO . . . . . . . . . . . . . 52.0 Cg_exo -54.0 -32.83 70.3 Favored 'Trans proline' 0 C--N 1.344 0.294 0 C-N-CA 122.813 2.342 . . . . 0.0 111.815 178.342 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 53' ' ' MET . . . . . . . . . . . . . 82.9 mtp -59.56 -43.2 93.64 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 115.747 -0.66 . . . . 0.0 110.331 178.283 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 54' ' ' GLN . . . . . 0.484 ' HB3' HG22 ' A' ' 42' ' ' ILE . 7.8 mp0 -73.57 -43.09 60.67 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 115.835 -0.62 . . . . 0.0 111.572 -177.475 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 55' ' ' LEU . . . . . 0.487 HD23 ' HB2' ' A' ' 99' ' ' LEU . 22.6 tp -65.25 -37.97 88.89 Favored 'General case' 0 C--N 1.324 -0.542 0 CA-C-O 121.42 0.629 . . . . 0.0 109.765 -179.991 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 56' ' ' LEU . . . . . 0.4 ' HA ' HD21 ' A' ' 99' ' ' LEU . 3.2 tp -69.21 -33.51 73.42 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 115.871 -0.604 . . . . 0.0 109.539 176.064 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 12.2 tp10 -62.34 -29.9 70.79 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.068 177.711 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 58' ' ' VAL . . . . . 0.584 HG13 HG12 ' A' ' 38' ' ' ILE . 52.2 t -64.66 -55.76 19.53 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.178 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.412 173.771 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 59' ' ' ILE . . . . . 0.489 HG23 ' HB1' ' A' ' 71' ' ' ALA . 1.8 mp -59.52 -39.1 78.42 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.363 0 CA-C-O 121.11 0.481 . . . . 0.0 109.905 177.162 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 13.3 tpt180 -65.9 -27.16 67.99 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 115.617 -0.72 . . . . 0.0 110.694 179.056 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 61' ' ' ARG . . . . . 0.562 ' HB3' ' O ' ' A' ' 58' ' ' VAL . 3.4 tpm_? -63.61 -41.4 98.3 Favored 'General case' 0 C--N 1.327 -0.384 0 N-CA-C 109.62 -0.511 . . . . 0.0 109.62 175.683 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 62' ' ' PHE . . . . . . . . . . . . . 96.4 m-85 -75.78 -31.85 59.67 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 115.676 -0.693 . . . . 0.0 111.157 177.23 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 37.5 mt-10 -68.09 -29.61 68.59 Favored 'General case' 0 N--CA 1.463 0.181 0 CA-C-O 121.001 0.429 . . . . 0.0 110.07 174.581 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 64' ' ' ASP . . . . . 0.539 ' HB3' ' O ' ' A' ' 61' ' ' ARG . 8.8 t70 -59.35 -45.01 92.57 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 115.504 -0.771 . . . . 0.0 109.788 172.772 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 47.7 mtp180 -69.68 -30.12 67.71 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 115.275 -0.875 . . . . 0.0 110.489 177.157 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 100.56 -0.39 55.54 Favored Glycine 0 N--CA 1.449 -0.486 0 CA-C-N 115.814 -0.63 . . . . 0.0 111.939 179.186 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -82.71 94.23 7.55 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-O 120.799 0.333 . . . . 0.0 110.871 -177.787 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 68' ' ' MET . . . . . 0.527 ' HA ' ' CE ' ' A' ' 68' ' ' MET . 7.1 mmt -65.9 -37.85 87.19 Favored 'General case' 0 C--N 1.324 -0.528 0 CA-C-N 116.028 -0.533 . . . . 0.0 110.176 -179.715 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 38.4 mt-10 -61.64 -46.86 87.99 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 115.459 -0.792 . . . . 0.0 110.576 179.45 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 70' ' ' ARG . . . . . 0.473 ' HD3' ' SD ' ' A' ' 33' ' ' MET . 52.4 mtt180 -74.5 -27.02 60.37 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 115.809 -0.632 . . . . 0.0 111.293 -176.509 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 71' ' ' ALA . . . . . 0.489 ' HB1' HG23 ' A' ' 59' ' ' ILE . . . -66.11 -50.5 63.85 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-O 121.389 0.614 . . . . 0.0 110.208 176.419 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 72' ' ' ASN . . . . . . . . . . . . . 45.1 t-20 -63.19 -41.33 99.18 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 115.305 -0.861 . . . . 0.0 109.765 178.36 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 79.4 tttt -67.38 -35.84 80.15 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 115.66 -0.7 . . . . 0.0 111.066 -179.64 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -57.92 -45.3 86.76 Favored 'General case' 0 CA--C 1.518 -0.272 0 N-CA-C 110.301 -0.259 . . . . 0.0 110.301 177.631 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 47.6 ttt-85 -58.18 -47.94 81.84 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.699 177.765 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 50.0 mtt180 -65.35 -34.66 78.85 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.085 -0.507 . . . . 0.0 111.736 -178.309 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 77' ' ' ARG . . . . . 0.564 ' O ' HG23 ' A' ' 81' ' ' VAL . 10.7 mmt-85 -80.45 -31.33 37.47 Favored 'General case' 0 C--N 1.324 -0.532 0 C-N-CA 120.76 -0.376 . . . . 0.0 111.159 -178.926 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 78' ' ' CYS . . . . . . . . . . . . . 72.6 m -65.81 -41.32 92.03 Favored 'General case' 0 C--N 1.328 -0.364 0 N-CA-C 109.07 -0.715 . . . . 0.0 109.07 170.658 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . -60.19 -37.7 93.33 Favored Glycine 0 N--CA 1.449 -0.464 0 CA-C-N 115.652 -0.704 . . . . 0.0 111.921 174.781 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 5.5 tp10 -61.68 -39.02 89.95 Favored 'General case' 0 CA--C 1.533 0.31 0 CA-C-O 120.861 0.363 . . . . 0.0 110.411 175.227 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 81' ' ' VAL . . . . . 0.564 HG23 ' O ' ' A' ' 77' ' ' ARG . 46.9 t -68.26 -45.24 83.09 Favored 'Isoleucine or valine' 0 C--O 1.233 0.209 0 CA-C-N 116.476 -0.329 . . . . 0.0 110.313 177.098 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 82' ' ' PHE . . . . . 0.503 ' O ' HG13 ' A' ' 86' ' ' ILE . 35.0 m-85 -58.16 -45.54 87.27 Favored 'General case' 0 N--CA 1.465 0.276 0 CA-C-O 121.083 0.468 . . . . 0.0 109.956 174.948 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 83' ' ' ARG . . . . . 0.45 ' O ' HG23 ' A' ' 87' ' ' VAL . 43.9 ttt-85 -54.55 -51.18 66.01 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 115.316 -0.856 . . . . 0.0 110.62 177.048 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 84' ' ' TYR . . . . . . . . . . . . . 63.4 t80 -58.76 -43.06 90.23 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 115.609 -0.723 . . . . 0.0 110.577 177.995 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 85' ' ' ALA . . . . . 0.504 ' HB2' HD13 ' A' ' 47' ' ' ILE . . . -65.22 -40.22 93.8 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 116.058 -0.519 . . . . 0.0 111.556 -179.061 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 86' ' ' ILE . . . . . 0.503 HG13 ' O ' ' A' ' 82' ' ' PHE . 67.7 mt -62.18 -47.39 93.35 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.391 0 CA-C-O 120.773 0.32 . . . . 0.0 110.307 177.43 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 87' ' ' VAL . . . . . 0.45 HG23 ' O ' ' A' ' 83' ' ' ARG . 85.5 t -62.26 -32.83 56.08 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.378 0 CA-C-N 115.957 -0.565 . . . . 0.0 110.985 179.534 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 88' ' ' THR . . . . . . . . . . . . . 31.1 p -91.63 9.46 32.18 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-N 116.265 -0.425 . . . . 0.0 111.285 -179.171 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . 68.27 27.7 73.62 Favored Glycine 0 C--N 1.334 0.452 0 CA-C-N 116.049 -0.523 . . . . 0.0 113.865 173.944 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 54.9 mtm180 -111.53 -13.2 13.86 Favored 'General case' 0 C--N 1.323 -0.574 0 CA-C-N 116.87 0.335 . . . . 0.0 111.483 179.72 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . -122.34 111.29 16.71 Favored 'General case' 0 C--N 1.323 -0.566 0 CA-C-O 120.938 0.399 . . . . 0.0 110.711 177.88 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 64.3 tttm -90.42 -23.44 21.04 Favored 'General case' 0 C--N 1.323 -0.582 0 CA-C-N 115.83 -0.623 . . . . 0.0 110.092 178.106 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 93' ' ' TYR . . . . . . . . . . . . . 71.5 t80 -147.28 145.37 29.37 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 115.738 -0.665 . . . . 0.0 109.781 179.003 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 94' ' ' ASN . . . . . 0.457 ' HA ' ' HD3' ' A' ' 95' ' ' PRO . 31.6 p30 -130.77 146.53 62.37 Favored Pre-proline 0 N--CA 1.452 -0.327 0 CA-C-O 120.984 0.421 . . . . 0.0 110.461 176.37 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 95' ' ' PRO . . . . . 0.457 ' HD3' ' HA ' ' A' ' 94' ' ' ASN . 1.8 Cg_endo -86.1 25.39 0.69 Allowed 'Trans proline' 0 N--CA 1.457 -0.631 0 C-N-CA 123.284 2.656 . . . . 0.0 111.975 177.855 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 96' ' ' ALA . . . . . 0.435 ' HB3' ' HD3' ' A' ' 97' ' ' PRO . . . -61.37 -54.26 54.48 Favored Pre-proline 0 CA--C 1.539 0.553 0 N-CA-C 112.597 0.591 . . . . 0.0 112.597 -175.252 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 97' ' ' PRO . . . . . 0.435 ' HD3' ' HB3' ' A' ' 96' ' ' ALA . 56.5 Cg_endo -71.98 -28.99 15.56 Favored 'Trans proline' 0 C--N 1.354 0.831 0 C-N-CA 121.567 1.511 . . . . 0.0 111.949 178.493 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 28.7 t70 -72.73 -31.86 65.28 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-N 115.768 -0.651 . . . . 0.0 110.437 -177.588 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 99' ' ' LEU . . . . . 0.487 ' HB2' HD23 ' A' ' 55' ' ' LEU . 3.2 tm? -61.4 -39.99 92.75 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 115.94 -0.573 . . . . 0.0 109.794 175.073 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 100' ' ' ALA . . . . . . . . . . . . . . . -64.15 -40.21 95.66 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 115.638 -0.71 . . . . 0.0 110.589 179.505 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 18.7 t70 -67.7 -36.93 81.55 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 115.528 -0.76 . . . . 0.0 110.345 179.079 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -63.71 -55.64 21.76 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 115.89 -0.595 . . . . 0.0 110.767 177.759 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 103' ' ' MET . . . . . . . . . . . . . 44.2 ttm -50.29 -42.89 53.13 Favored 'General case' 0 N--CA 1.465 0.285 0 CA-C-O 120.841 0.353 . . . . 0.0 111.405 175.506 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 104' ' ' LYS . . . . . . . . . . . . . 79.6 tttt -57.09 -48.48 78.5 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 115.889 -0.596 . . . . 0.0 111.448 179.746 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 105' ' ' GLY . . . . . . . . . . . . . . . -89.82 5.09 83.62 Favored Glycine 0 N--CA 1.45 -0.397 0 C-N-CA 120.972 -0.632 . . . . 0.0 112.946 -176.004 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 106' ' ' TYR . . . . . . . . . . . . . 76.5 t80 -67.39 -41.42 85.01 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.74 0.27 . . . . 0.0 111.246 -177.133 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 107' ' ' ARG . . . . . . . . . . . . . 44.6 mtm-85 -64.29 -35.06 79.61 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.273 -0.421 . . . . 0.0 111.412 -176.182 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 108' ' ' LYS . . . . . . . . . . . . . 60.2 mttp 58.52 47.64 13.15 Favored 'General case' 0 N--CA 1.465 0.283 0 O-C-N 123.376 0.423 . . . . 0.0 111.202 174.891 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 109' ' ' LYS . . . . . . . . . . . . . 51.6 tttp -74.28 89.37 2.05 Favored 'General case' 0 C--N 1.326 -0.418 0 N-CA-C 109.312 -0.625 . . . . 0.0 109.312 177.223 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 110' ' ' ASN . . . . . . . . . . . . . 90.7 m-20 -83.51 134.04 34.86 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-N 115.417 -0.81 . . . . 0.0 111.761 -172.351 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 111' ' ' LEU . . . . . . . . . . . . . 84.6 mt -89.65 -160.46 0.68 Allowed 'General case' 0 C--N 1.322 -0.599 0 CA-C-N 115.41 -0.813 . . . . 0.0 108.863 172.794 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 112' ' ' GLU . . . . . . . . . . . . . 31.5 mt-10 -85.87 160.65 19.37 Favored 'General case' 0 C--N 1.321 -0.645 0 C-N-CA 120.79 -0.364 . . . . 0.0 110.046 175.64 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 113' ' ' HIS . . . . . . . . . . . . . 63.0 t60 -90.81 9.76 28.88 Favored 'General case' 0 C--N 1.325 -0.473 0 N-CA-C 108.664 -0.865 . . . . 0.0 108.664 173.327 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 114' ' ' HIS . . . . . . . . . . . . . 28.5 m170 -87.55 174.77 8.27 Favored 'General case' 0 C--N 1.323 -0.563 0 CA-C-N 114.98 -1.009 . . . . 0.0 108.764 173.786 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 115' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -145.95 5.54 1.0 Allowed 'General case' 0 C--N 1.322 -0.618 0 C-N-CA 120.295 -0.562 . . . . 0.0 111.221 173.301 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 116' ' ' HIS . . . . . . . . . . . . . 44.3 t60 -76.63 -31.71 57.57 Favored 'General case' 0 C--N 1.326 -0.415 0 N-CA-C 108.455 -0.943 . . . . 0.0 108.455 169.956 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 117' ' ' HIS . . . . . . . . . . . . . 46.3 m170 -87.57 156.95 19.28 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 115.295 -0.866 . . . . 0.0 109.667 170.955 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 118' ' ' HIS . . . . . . . . . . . . . 12.8 t60 . . . . . 0 C--O 1.25 1.106 0 CA-C-O 117.906 -1.045 . . . . 0.0 110.624 174.742 . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 31.3 t . . . . . 0 N--CA 1.477 0.876 0 N-CA-C 110.164 -0.31 . . . . 0.0 110.164 . . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 37.7 m -158.51 165.51 34.39 Favored 'General case' 0 C--N 1.328 -0.343 0 N-CA-C 109.759 -0.46 . . . . 0.0 109.759 178.089 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 3' ' ' ASN . . . . . . . . . . . . . 94.7 m-20 -84.6 -36.14 22.25 Favored 'General case' 0 C--N 1.329 -0.299 0 N-CA-C 108.581 -0.896 . . . . 0.0 108.581 172.285 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 4' ' ' ASN . . . . . . . . . . . . . 11.6 t-20 70.17 92.13 0.09 Allowed 'General case' 0 C--O 1.233 0.222 0 CA-C-N 114.354 -1.294 . . . . 0.0 111.756 171.562 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 5' ' ' ASN . . . . . 0.465 ' OD1' ' HD3' ' A' ' 90' ' ' ARG . 57.6 t30 -111.42 18.68 18.95 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-O 121.476 0.655 . . . . 0.0 109.437 175.329 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 4.2 m -65.28 143.76 57.58 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 115.263 -0.881 . . . . 0.0 110.554 -179.445 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 7' ' ' PHE . . . . . . . . . . . . . 45.4 t80 -57.3 -41.87 80.67 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 116.02 -0.537 . . . . 0.0 110.443 179.593 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 39.7 t -59.31 -36.21 75.22 Favored 'General case' 0 CA--C 1.531 0.231 0 CA-C-N 116.379 -0.373 . . . . 0.0 111.634 179.852 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -67.07 -51.14 58.19 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-O 120.97 0.414 . . . . 0.0 110.836 -177.813 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 64.3 mt -67.56 -33.55 62.86 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 CA-C-N 115.829 -0.623 . . . . 0.0 110.175 178.955 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 4.5 t80 -59.17 -47.13 86.44 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 115.967 -0.56 . . . . 0.0 111.133 175.626 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 86.3 tttt -66.7 -36.35 82.28 Favored 'General case' 0 C--N 1.329 -0.316 0 C-N-CA 120.599 -0.44 . . . . 0.0 110.755 -178.999 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 23.9 mm-40 -61.74 -52.9 62.34 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 120.961 0.41 . . . . 0.0 109.949 174.038 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 14' ' ' TRP . . . . . . . . . . . . . 57.5 t90 -54.47 -46.38 73.34 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 115.491 -0.777 . . . . 0.0 110.345 176.955 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 15' ' ' TYR . . . . . . . . . . . . . 40.7 t80 -56.77 -55.41 34.64 Favored 'General case' 0 N--CA 1.45 -0.45 0 CA-C-N 115.533 -0.758 . . . . 0.0 110.998 178.762 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 17.4 tp10 -58.84 -30.27 67.56 Favored 'General case' 0 CA--C 1.53 0.208 0 CA-C-O 120.791 0.329 . . . . 0.0 111.203 -176.287 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 17' ' ' HIS . . . . . . . . . . . . . 42.7 m-70 -71.57 -52.36 18.55 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.767 0.317 . . . . 0.0 110.693 178.382 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 18' ' ' LYS . . . . . 0.436 ' HA ' ' HD2' ' A' ' 18' ' ' LYS . 9.1 mmmm -77.39 -12.33 59.94 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 121.144 0.497 . . . . 0.0 110.797 -177.17 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 40.7 tttm -67.04 -20.89 65.91 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-N 115.47 -0.786 . . . . 0.0 110.433 176.22 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 97.1 mt-30 -87.65 -13.64 42.13 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-N 115.994 -0.548 . . . . 0.0 110.379 175.911 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 60.4 t -88.2 -51.45 12.51 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.536 0 CA-C-N 115.778 -0.646 . . . . 0.0 110.373 179.272 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 22' ' ' TRP . . . . . . . . . . . . . 6.1 m0 -85.99 168.18 14.37 Favored 'General case' 0 C--N 1.323 -0.584 0 CA-C-N 115.711 -0.677 . . . . 0.0 110.0 179.956 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 18.1 m -73.5 147.75 43.76 Favored 'General case' 0 C--N 1.322 -0.589 0 N-CA-C 109.207 -0.664 . . . . 0.0 109.207 175.414 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 42.8 t -56.85 -42.19 77.52 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 N-CA-C 111.754 0.279 . . . . 0.0 111.754 -175.705 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -62.37 -37.42 94.59 Favored Glycine 0 N--CA 1.453 -0.211 0 C-N-CA 120.942 -0.647 . . . . 0.0 111.899 178.344 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 26' ' ' TYR . . . . . . . . . . . . . 77.3 t80 -74.36 -44.05 53.92 Favored 'General case' 0 C--N 1.325 -0.493 0 N-CA-C 110.076 -0.342 . . . . 0.0 110.076 178.374 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -61.32 -43.71 98.42 Favored 'General case' 0 N--CA 1.454 -0.251 0 CA-C-N 116.075 -0.511 . . . . 0.0 110.794 -179.605 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 39.5 m -64.13 -40.66 96.66 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.949 179.587 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 33.6 tt0 -68.97 -43.48 74.86 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 121.039 0.447 . . . . 0.0 110.793 179.764 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 10.1 tt -60.01 -42.68 94.85 Favored 'General case' 0 C--O 1.237 0.416 0 CA-C-N 116.042 -0.527 . . . . 0.0 109.951 177.67 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -68.98 -36.92 78.41 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 115.64 -0.709 . . . . 0.0 110.914 178.615 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 27.2 tptp -56.32 -44.88 80.39 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 120.696 0.284 . . . . 0.0 110.838 179.879 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 33' ' ' MET . . . . . . . . . . . . . 46.7 ttp -68.75 -42.86 76.97 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.988 178.297 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 34' ' ' PHE . . . . . 0.468 ' HA ' HD13 ' A' ' 38' ' ' ILE . 12.5 t80 -67.48 -47.87 68.8 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.191 -177.291 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 35' ' ' ASP . . . . . 0.689 ' HA ' HD23 ' A' ' 39' ' ' LEU . 0.9 OUTLIER -58.98 -54.63 44.93 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.297 -0.41 . . . . 0.0 111.308 178.905 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 33.4 t70 -66.51 -23.87 66.31 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-N 116.283 -0.417 . . . . 0.0 111.825 -172.655 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 37' ' ' ASP . . . . . 0.605 ' HA ' ' NH1' ' A' ' 61' ' ' ARG . 4.1 m-20 -97.17 -58.03 2.12 Favored 'General case' 0 C--N 1.328 -0.333 0 N-CA-C 112.51 0.559 . . . . 0.0 112.51 179.999 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 38' ' ' ILE . . . . . 0.468 HD13 ' HA ' ' A' ' 34' ' ' PHE . 2.1 mp -69.91 -38.72 76.34 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.567 0 N-CA-C 111.953 0.353 . . . . 0.0 111.953 -171.994 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 39' ' ' LEU . . . . . 0.689 HD23 ' HA ' ' A' ' 35' ' ' ASP . 2.7 mm? -60.56 -52.37 73.27 Favored Pre-proline 0 C--N 1.327 -0.409 0 N-CA-C 112.936 0.717 . . . . 0.0 112.936 -173.753 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 40' ' ' PRO . . . . . 0.422 ' HD3' ' HB2' ' A' ' 39' ' ' LEU . 42.4 Cg_exo -59.52 -22.83 68.27 Favored 'Trans proline' 0 C--N 1.35 0.609 0 C-N-CA 122.074 1.849 . . . . 0.0 112.536 177.615 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 41' ' ' ILE . . . . . 0.622 HG22 HG23 ' A' ' 42' ' ' ILE . 23.4 mm -90.71 -67.25 0.79 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.382 0 CA-C-N 116.393 -0.367 . . . . 0.0 110.919 -178.022 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 42' ' ' ILE . . . . . 0.622 HG23 HG22 ' A' ' 41' ' ' ILE . 9.2 pt -124.37 8.45 4.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 N-CA-C 112.287 0.477 . . . . 0.0 112.287 -173.241 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 43' ' ' GLY . . . . . 0.565 ' HA3' ' HA ' ' A' ' 39' ' ' LEU . . . -57.74 -40.5 92.91 Favored Glycine 0 C--O 1.234 0.132 0 C-N-CA 120.973 -0.632 . . . . 0.0 113.381 -174.924 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -93.06 13.53 67.45 Favored Glycine 0 N--CA 1.446 -0.645 0 C-N-CA 120.83 -0.7 . . . . 0.0 112.498 -177.604 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 45' ' ' LEU . . . . . 0.46 HD12 HG22 ' A' ' 42' ' ' ILE . 88.3 mt -97.85 149.98 21.78 Favored 'General case' 0 C--N 1.326 -0.433 0 N-CA-C 110.102 -0.333 . . . . 0.0 110.102 179.176 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 46' ' ' GLU . . . . . 0.484 ' O ' HG13 ' A' ' 50' ' ' ILE . 45.2 mt-10 -77.67 139.33 39.43 Favored 'General case' 0 C--N 1.324 -0.516 0 N-CA-C 109.819 -0.437 . . . . 0.0 109.819 179.1 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 47' ' ' ILE . . . . . 0.48 HD13 ' HB2' ' A' ' 85' ' ' ALA . 13.3 tt -62.81 -21.16 27.09 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.606 0 CA-C-N 115.875 -0.602 . . . . 0.0 112.612 -169.888 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 48' ' ' GLN . . . . . 0.423 ' HG3' HD21 ' A' ' 5' ' ' ASN . 95.3 mt-30 -87.69 -18.23 30.0 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.679 0.276 . . . . 0.0 111.386 178.293 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 1.5 m-20 -125.07 32.62 5.36 Favored 'General case' 0 C--N 1.322 -0.621 0 CA-C-O 121.037 0.446 . . . . 0.0 111.65 -169.444 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 50' ' ' ILE . . . . . 0.484 HG13 ' O ' ' A' ' 46' ' ' GLU . 74.7 mt -83.25 129.7 37.02 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.565 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.398 177.175 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 51' ' ' GLU . . . . . 0.411 ' HA ' ' HD3' ' A' ' 52' ' ' PRO . 9.4 mm-40 -69.58 126.67 92.74 Favored Pre-proline 0 C--N 1.325 -0.499 0 CA-C-N 115.922 -0.581 . . . . 0.0 110.611 179.628 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 52' ' ' PRO . . . . . 0.411 ' HD3' ' HA ' ' A' ' 51' ' ' GLU . 50.8 Cg_exo -54.29 -44.77 46.4 Favored 'Trans proline' 0 C--N 1.342 0.205 0 C-N-CA 122.985 2.456 . . . . 0.0 112.643 179.335 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 53' ' ' MET . . . . . 0.571 ' HG3' ' HE2' ' A' ' 106' ' ' TYR . 50.7 ttp -68.56 -25.84 65.11 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 121.001 0.429 . . . . 0.0 110.698 -178.95 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 54' ' ' GLN . . . . . 0.491 ' O ' ' HB3' ' A' ' 57' ' ' GLU . 28.0 tt0 -80.45 -32.35 37.24 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-O 121.482 0.658 . . . . 0.0 109.602 179.016 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 40.2 tp -66.62 -32.42 73.73 Favored 'General case' 0 C--N 1.325 -0.465 0 N-CA-C 108.958 -0.756 . . . . 0.0 108.958 171.633 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 56' ' ' LEU . . . . . 0.475 HD13 ' O ' ' A' ' 56' ' ' LEU . 2.1 tm? -67.43 -35.2 78.77 Favored 'General case' 0 C--O 1.221 -0.403 0 CA-C-N 115.31 -0.859 . . . . 0.0 109.277 174.052 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 57' ' ' GLU . . . . . 0.491 ' HB3' ' O ' ' A' ' 54' ' ' GLN . 9.1 tp10 -55.96 -38.56 70.53 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.557 -0.292 . . . . 0.0 110.26 176.444 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 96.0 t -61.94 -55.78 21.96 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.326 0 CA-C-O 121.077 0.465 . . . . 0.0 110.997 174.441 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 59' ' ' ILE . . . . . . . . . . . . . 1.7 mp -58.89 -40.93 81.48 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.36 0 CA-C-O 121.196 0.522 . . . . 0.0 110.723 179.828 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 60' ' ' ARG . . . . . 0.444 ' HA ' ' CB ' ' A' ' 63' ' ' GLU . 55.4 ttp85 -75.56 -21.8 57.56 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-N 115.763 -0.653 . . . . 0.0 110.779 -178.341 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 61' ' ' ARG . . . . . 0.605 ' NH1' ' HA ' ' A' ' 37' ' ' ASP . 1.5 ttt180 -59.4 -46.27 89.15 Favored 'General case' 0 C--N 1.331 -0.208 0 N-CA-C 108.492 -0.929 . . . . 0.0 108.492 172.495 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 62' ' ' PHE . . . . . . . . . . . . . 96.8 m-85 -70.63 -37.54 73.78 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 115.245 -0.889 . . . . 0.0 110.939 175.246 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 63' ' ' GLU . . . . . 0.444 ' CB ' ' HA ' ' A' ' 60' ' ' ARG . 24.4 tt0 -53.18 -46.58 69.02 Favored 'General case' 0 N--CA 1.468 0.432 0 CA-C-N 116.26 -0.427 . . . . 0.0 111.644 -178.962 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 32.1 t70 -58.4 -29.1 65.81 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.51 -177.299 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 84.6 mtt180 -83.44 -13.06 55.62 Favored 'General case' 0 C--N 1.323 -0.565 0 CA-C-N 115.994 -0.548 . . . . 0.0 110.712 -178.322 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 83.37 9.98 82.81 Favored Glycine 0 N--CA 1.448 -0.564 0 N-CA-C 110.375 -1.09 . . . . 0.0 110.375 -169.823 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -83.59 50.12 1.73 Allowed 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 115.128 -0.536 . . . . 0.0 110.388 -177.753 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 68' ' ' MET . . . . . 0.523 ' HA ' ' CE ' ' A' ' 68' ' ' MET . 1.4 mmt -61.97 -34.77 76.76 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 115.776 -0.647 . . . . 0.0 111.359 -177.659 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 2.4 tm-20 -64.92 -49.23 71.23 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-N 116.129 -0.487 . . . . 0.0 109.982 179.773 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 77.7 mtt180 -74.37 -17.56 60.8 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 116.302 -0.408 . . . . 0.0 111.263 179.292 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -70.74 -40.79 72.52 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.868 0.366 . . . . 0.0 110.151 174.916 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 72' ' ' ASN . . . . . . . . . . . . . 40.1 t30 -62.67 -39.57 94.35 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 115.942 -0.572 . . . . 0.0 109.616 174.744 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 44.6 mttp -60.73 -41.38 95.19 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 115.682 -0.69 . . . . 0.0 110.491 173.916 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -59.75 -50.24 74.59 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.619 -0.264 . . . . 0.0 110.923 179.095 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 41.5 ttt180 -58.51 -48.32 81.19 Favored 'General case' 0 C--N 1.329 -0.322 0 O-C-N 123.389 0.431 . . . . 0.0 111.193 179.345 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 54.9 mtm180 -70.11 -37.31 75.31 Favored 'General case' 0 C--N 1.328 -0.351 0 N-CA-C 112.226 0.454 . . . . 0.0 112.226 -176.014 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 77' ' ' ARG . . . . . 0.438 ' O ' HG23 ' A' ' 81' ' ' VAL . 83.2 mtm180 -64.21 -43.24 95.63 Favored 'General case' 0 C--N 1.328 -0.328 0 C-N-CA 120.886 -0.326 . . . . 0.0 110.173 177.506 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 78' ' ' CYS . . . . . . . . . . . . . 73.6 m -63.57 -40.29 96.58 Favored 'General case' 0 C--N 1.331 -0.208 0 N-CA-C 109.676 -0.49 . . . . 0.0 109.676 175.486 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . -58.14 -37.02 84.8 Favored Glycine 0 N--CA 1.45 -0.405 0 CA-C-N 115.915 -0.584 . . . . 0.0 112.594 176.994 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 22.1 tt0 -71.58 -35.87 70.7 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.71 0.255 . . . . 0.0 110.38 178.444 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 81' ' ' VAL . . . . . 0.438 HG23 ' O ' ' A' ' 77' ' ' ARG . 66.9 t -62.4 -45.07 99.64 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.233 0 N-CA-C 109.707 -0.479 . . . . 0.0 109.707 173.669 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 82' ' ' PHE . . . . . 0.576 ' O ' HG13 ' A' ' 86' ' ' ILE . 29.4 m-85 -59.88 -43.16 94.89 Favored 'General case' 0 C--O 1.227 -0.097 0 CA-C-N 115.926 -0.579 . . . . 0.0 110.192 174.229 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 83' ' ' ARG . . . . . 0.499 ' O ' HG23 ' A' ' 87' ' ' VAL . 36.7 ttp180 -59.13 -43.65 92.0 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 115.994 -0.548 . . . . 0.0 110.523 -179.989 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 84' ' ' TYR . . . . . . . . . . . . . 18.5 t80 -63.85 -34.26 77.53 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-O 121.052 0.453 . . . . 0.0 109.946 179.016 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 85' ' ' ALA . . . . . 0.491 ' HA ' ' OG1' ' A' ' 88' ' ' THR . . . -71.09 -28.49 64.37 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.666 176.826 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 86' ' ' ILE . . . . . 0.576 HG13 ' O ' ' A' ' 82' ' ' PHE . 69.3 mt -72.09 -39.32 65.49 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.585 0 CA-C-O 121.144 0.497 . . . . 0.0 109.785 174.831 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 87' ' ' VAL . . . . . 0.499 HG23 ' O ' ' A' ' 83' ' ' ARG . 68.1 t -67.62 -34.54 68.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 115.637 -0.71 . . . . 0.0 110.851 177.797 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 88' ' ' THR . . . . . 0.491 ' OG1' ' HA ' ' A' ' 85' ' ' ALA . 14.5 p -79.76 -8.68 59.4 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.947 0.403 . . . . 0.0 111.194 177.928 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . 83.86 17.31 65.82 Favored Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.873 -0.679 . . . . 0.0 112.78 176.586 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 90' ' ' ARG . . . . . 0.465 ' HD3' ' OD1' ' A' ' 5' ' ' ASN . 66.0 mtt180 -91.7 -64.45 1.12 Allowed 'General case' 0 C--N 1.326 -0.424 0 CA-C-O 121.084 0.468 . . . . 0.0 110.799 179.927 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . -81.94 118.15 22.73 Favored 'General case' 0 C--N 1.321 -0.67 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.274 -177.335 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 85.5 mttt -100.91 -14.19 18.02 Favored 'General case' 0 C--N 1.32 -0.702 0 CA-C-O 121.513 0.673 . . . . 0.0 110.02 -178.053 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 93' ' ' TYR . . . . . . . . . . . . . 71.4 t80 -147.2 130.25 16.35 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-N 114.945 -1.025 . . . . 0.0 109.323 174.35 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 94' ' ' ASN . . . . . . . . . . . . . 24.7 p-10 -111.96 134.8 21.31 Favored Pre-proline 0 C--N 1.32 -0.715 0 N-CA-C 109.43 -0.582 . . . . 0.0 109.43 175.447 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 95' ' ' PRO . . . . . 0.436 ' O ' ' HB2' ' A' ' 99' ' ' LEU . 72.9 Cg_endo -76.08 29.36 0.39 Allowed 'Trans proline' 0 CA--C 1.528 0.186 0 C-N-CA 122.847 2.365 . . . . 0.0 113.119 -175.29 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 96' ' ' ALA . . . . . 0.528 ' HB3' ' HD3' ' A' ' 97' ' ' PRO . . . -68.01 -48.51 38.95 Favored Pre-proline 0 CA--C 1.541 0.607 0 N-CA-C 112.057 0.391 . . . . 0.0 112.057 -179.145 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 97' ' ' PRO . . . . . 0.528 ' HD3' ' HB3' ' A' ' 96' ' ' ALA . 30.1 Cg_exo -63.28 -42.74 21.04 Favored 'Trans proline' 0 C--N 1.355 0.919 0 C-N-CA 121.962 1.774 . . . . 0.0 112.138 177.072 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 36.7 t70 -66.7 -34.09 77.09 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.508 -179.897 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 99' ' ' LEU . . . . . 0.436 ' HB2' ' O ' ' A' ' 95' ' ' PRO . 2.9 tm? -55.85 -40.47 72.91 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-N 115.818 -0.628 . . . . 0.0 110.05 176.382 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 100' ' ' ALA . . . . . . . . . . . . . . . -66.27 -46.55 76.65 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.868 179.91 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 24.4 t70 -64.14 -40.21 95.67 Favored 'General case' 0 C--O 1.234 0.274 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.973 179.991 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 102' ' ' ALA . . . . . 0.585 ' O ' ' HB2' ' A' ' 106' ' ' TYR . . . -63.44 -44.54 94.25 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-N 115.774 -0.648 . . . . 0.0 110.378 177.383 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 103' ' ' MET . . . . . . . . . . . . . 41.0 ttm -56.72 -46.46 81.27 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.057 -0.519 . . . . 0.0 111.165 178.427 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 104' ' ' LYS . . . . . . . . . . . . . 74.5 mmtt -59.63 -48.08 83.08 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 115.871 -0.604 . . . . 0.0 111.377 -178.252 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 105' ' ' GLY . . . . . . . . . . . . . . . -87.29 7.95 78.75 Favored Glycine 0 N--CA 1.45 -0.42 0 C-N-CA 120.836 -0.697 . . . . 0.0 112.812 -177.428 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 106' ' ' TYR . . . . . 0.585 ' HB2' ' O ' ' A' ' 102' ' ' ALA . 3.0 t80 -91.07 -27.87 18.31 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-O 121.04 0.448 . . . . 0.0 110.521 -177.244 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 107' ' ' ARG . . . . . . . . . . . . . 90.4 mtt180 -95.37 10.69 35.38 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-N 116.033 -0.53 . . . . 0.0 111.05 -176.851 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 108' ' ' LYS . . . . . . . . . . . . . 62.6 tttm 58.05 84.54 0.1 Allowed 'General case' 0 N--CA 1.465 0.28 0 CA-C-N 115.712 -0.676 . . . . 0.0 112.036 175.895 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 109' ' ' LYS . . . . . . . . . . . . . 64.1 mttm -141.1 110.31 6.24 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 115.822 -0.627 . . . . 0.0 109.887 175.115 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 110' ' ' ASN . . . . . . . . . . . . . 20.0 m120 -81.79 142.38 32.65 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.326 179.201 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 111' ' ' LEU . . . . . . . . . . . . . 63.0 tp -71.39 -65.12 0.79 Allowed 'General case' 0 C--N 1.323 -0.544 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.196 -175.98 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 112' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -94.51 153.74 17.75 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-O 120.913 0.387 . . . . 0.0 110.005 -178.306 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 113' ' ' HIS . . . . . . . . . . . . . 53.7 m80 -95.28 102.94 14.78 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-N 116.291 -0.413 . . . . 0.0 109.966 179.978 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 114' ' ' HIS . . . . . . . . . . . . . 25.5 m170 -63.43 -42.15 98.68 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-O 120.917 0.389 . . . . 0.0 110.338 179.504 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 115' ' ' HIS . . . . . . . . . . . . . 31.9 m-70 -91.45 101.76 14.43 Favored 'General case' 0 N--CA 1.449 -0.481 0 N-CA-C 108.938 -0.764 . . . . 0.0 108.938 169.169 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 116' ' ' HIS . . . . . . . . . . . . . 93.1 m-70 -72.32 112.28 8.25 Favored 'General case' 0 C--N 1.32 -0.676 0 CA-C-N 115.337 -0.847 . . . . 0.0 110.203 -175.9 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 117' ' ' HIS . . . . . . . . . . . . . 34.1 t-80 -79.94 139.2 37.16 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-N 115.861 -0.609 . . . . 0.0 109.633 -179.203 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 118' ' ' HIS . . . . . . . . . . . . . 4.4 p80 . . . . . 0 C--O 1.246 0.89 0 CA-C-O 118.451 -0.785 . . . . 0.0 109.758 -178.851 . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 38.7 m . . . . . 0 N--CA 1.476 0.858 0 CA-C-O 120.628 0.251 . . . . 0.0 110.45 . . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 13.4 t -96.67 -149.04 0.31 Allowed 'General case' 0 C--N 1.323 -0.554 0 N-CA-C 108.834 -0.802 . . . . 0.0 108.834 175.665 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 3' ' ' ASN . . . . . . . . . . . . . 51.8 t-20 -69.52 90.98 0.56 Allowed 'General case' 0 C--N 1.327 -0.391 0 N-CA-C 109.524 -0.547 . . . . 0.0 109.524 174.611 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 4' ' ' ASN . . . . . . . . . . . . . 15.0 p30 -93.02 19.88 7.35 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-N 115.774 -0.648 . . . . 0.0 110.818 -179.99 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 5.3 m-20 -85.67 -2.54 58.29 Favored 'General case' 0 C--N 1.328 -0.355 0 N-CA-C 109.209 -0.664 . . . . 0.0 109.209 174.464 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 19.9 m -69.03 143.41 54.32 Favored 'General case' 0 N--CA 1.449 -0.484 0 CA-C-N 115.192 -0.913 . . . . 0.0 109.723 174.244 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 7' ' ' PHE . . . . . . . . . . . . . 35.4 t80 -58.68 -42.24 88.07 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 116.457 -0.338 . . . . 0.0 111.58 -174.907 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 23.0 t -62.03 -31.98 72.44 Favored 'General case' 0 C--O 1.234 0.259 0 CA-C-O 120.85 0.357 . . . . 0.0 111.338 -178.601 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -70.87 -47.06 61.28 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.995 0.426 . . . . 0.0 110.76 -178.647 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 81.0 mt -70.38 -33.79 55.47 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.437 0 CA-C-N 116.079 -0.51 . . . . 0.0 110.374 178.627 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 1.2 t80 -56.61 -40.52 75.5 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.442 173.2 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 18.2 tptm -66.26 -42.01 89.09 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-O 120.793 0.33 . . . . 0.0 110.54 -178.996 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 9.9 tp10 -63.41 -46.54 85.91 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 121.233 0.539 . . . . 0.0 109.74 176.623 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 14' ' ' TRP . . . . . . . . . . . . . 60.3 t90 -57.67 -50.54 72.84 Favored 'General case' 0 C--O 1.237 0.409 0 CA-C-N 115.308 -0.86 . . . . 0.0 110.665 177.32 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 15' ' ' TYR . . . . . 0.492 ' CE1' ' HB2' ' A' ' 31' ' ' ALA . 34.8 t80 -58.57 -47.6 83.73 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 115.97 -0.559 . . . . 0.0 111.276 -179.397 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 42.0 tt0 -58.93 -38.19 78.42 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.732 0.301 . . . . 0.0 111.497 -175.821 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 17' ' ' HIS . . . . . . . . . . . . . 12.3 m170 -73.81 -46.96 42.05 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 116.601 -0.272 . . . . 0.0 110.856 -178.634 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 33.1 mmtm -68.39 -24.51 64.78 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-O 120.874 0.369 . . . . 0.0 110.951 178.793 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 64.2 tttm -63.75 -23.61 67.43 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 115.916 -0.584 . . . . 0.0 110.997 179.857 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 45.5 mm-40 -89.47 -6.29 56.59 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-O 121.07 0.462 . . . . 0.0 110.099 -179.688 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 48.9 t -104.04 -45.27 9.54 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 CA-C-N 115.84 -0.618 . . . . 0.0 110.448 -179.089 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 22' ' ' TRP . . . . . . . . . . . . . 26.3 m0 -80.86 179.47 7.82 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-N 115.79 -0.641 . . . . 0.0 110.764 -179.579 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 6.9 m -81.83 148.79 28.65 Favored 'General case' 0 C--N 1.323 -0.566 0 CA-C-N 115.849 -0.614 . . . . 0.0 109.364 175.052 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 11.3 p -56.27 -40.81 68.04 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.396 0 N-CA-C 111.64 0.237 . . . . 0.0 111.64 -178.112 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -69.19 -47.82 50.32 Favored Glycine 0 N--CA 1.449 -0.47 0 C-N-CA 120.655 -0.783 . . . . 0.0 111.773 179.044 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 26' ' ' TYR . . . . . . . . . . . . . 65.1 t80 -56.87 -43.71 81.51 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.851 0.358 . . . . 0.0 110.383 177.528 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -66.57 -46.58 75.53 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 115.85 -0.614 . . . . 0.0 111.371 -179.433 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 32.8 m -63.99 -39.45 94.15 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-O 120.883 0.373 . . . . 0.0 110.887 -179.606 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 39.0 tt0 -65.03 -47.9 75.78 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-O 121.203 0.525 . . . . 0.0 110.358 178.483 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 8.1 tt -62.89 -45.34 93.01 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 115.476 -0.784 . . . . 0.0 110.36 -179.491 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 31' ' ' ALA . . . . . 0.492 ' HB2' ' CE1' ' A' ' 15' ' ' TYR . . . -63.37 -34.47 77.8 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.021 -0.536 . . . . 0.0 111.626 -178.495 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 32' ' ' LYS . . . . . 0.419 ' HA ' ' HD2' ' A' ' 32' ' ' LYS . 46.0 tptt -69.9 -39.8 76.02 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.814 0.34 . . . . 0.0 110.52 179.132 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 33' ' ' MET . . . . . . . . . . . . . 12.5 tmm? -62.37 -48.87 77.88 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.005 -0.543 . . . . 0.0 110.065 176.76 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 34' ' ' PHE . . . . . 0.447 ' CG ' HD12 ' A' ' 38' ' ' ILE . 3.1 t80 -62.63 -38.78 91.58 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 115.806 -0.634 . . . . 0.0 109.985 179.117 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 35' ' ' ASP . . . . . 0.574 ' O ' ' HD3' ' A' ' 40' ' ' PRO . 14.9 t70 -62.56 -66.39 0.55 Allowed 'General case' 0 C--N 1.323 -0.565 0 CA-C-N 115.291 -0.868 . . . . 0.0 111.691 -178.851 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 26.7 t70 -66.69 -30.08 70.24 Favored 'General case' 0 C--O 1.237 0.442 0 CA-C-N 115.803 -0.635 . . . . 0.0 112.497 -169.316 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 37' ' ' ASP . . . . . 0.594 ' HA ' ' NH1' ' A' ' 61' ' ' ARG . 50.0 m-20 -98.38 -43.79 6.79 Favored 'General case' 0 C--N 1.322 -0.595 0 N-CA-C 112.789 0.663 . . . . 0.0 112.789 -174.079 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 38' ' ' ILE . . . . . 0.471 HG12 HG13 ' A' ' 58' ' ' VAL . 20.9 mt -91.68 -39.86 11.91 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.616 0 N-CA-C 112.208 0.447 . . . . 0.0 112.208 -171.628 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 39' ' ' LEU . . . . . 0.411 ' HB2' ' O ' ' A' ' 35' ' ' ASP . 43.6 mt -65.31 -41.06 48.93 Favored Pre-proline 0 CA--C 1.54 0.594 0 N-CA-C 113.612 0.967 . . . . 0.0 113.612 -173.559 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 40' ' ' PRO . . . . . 0.574 ' HD3' ' O ' ' A' ' 35' ' ' ASP . 23.4 Cg_exo -67.52 -9.9 26.91 Favored 'Trans proline' 0 C--N 1.35 0.633 0 C-N-CA 121.725 1.617 . . . . 0.0 112.745 176.693 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 41' ' ' ILE . . . . . 0.591 HG22 HG23 ' A' ' 42' ' ' ILE . 19.6 mm -96.93 -54.13 7.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.686 -0.233 . . . . 0.0 111.066 -178.935 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 42' ' ' ILE . . . . . 0.591 HG23 HG22 ' A' ' 41' ' ' ILE . 15.2 pt -131.16 9.56 1.88 Allowed 'Isoleucine or valine' 0 C--N 1.332 -0.195 0 N-CA-C 112.343 0.497 . . . . 0.0 112.343 -176.246 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -61.44 -36.87 93.18 Favored Glycine 0 N--CA 1.453 -0.181 0 C-N-CA 120.769 -0.729 . . . . 0.0 112.536 -175.226 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -94.04 12.61 68.9 Favored Glycine 0 N--CA 1.446 -0.662 0 C-N-CA 120.753 -0.737 . . . . 0.0 112.513 -178.874 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 45' ' ' LEU . . . . . 0.444 HD12 ' HA ' ' A' ' 42' ' ' ILE . 93.1 mt -96.23 151.53 19.41 Favored 'General case' 0 C--N 1.326 -0.431 0 N-CA-C 110.105 -0.331 . . . . 0.0 110.105 178.231 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 48.8 mt-10 -74.38 132.96 42.46 Favored 'General case' 0 C--N 1.325 -0.487 0 N-CA-C 108.907 -0.775 . . . . 0.0 108.907 178.336 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 47' ' ' ILE . . . . . 0.402 HD13 ' CB ' ' A' ' 85' ' ' ALA . 18.6 tt -62.87 -17.51 19.32 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.647 0 CA-C-O 121.043 0.449 . . . . 0.0 111.494 -174.748 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 79.1 mt-30 -86.32 -20.47 28.3 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.836 179.249 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 21.8 t70 -140.05 86.47 2.09 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-O 121.284 0.564 . . . . 0.0 111.063 -178.981 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 50' ' ' ILE . . . . . 0.435 ' HB ' ' HG2' ' A' ' 95' ' ' PRO . 75.9 mt -115.05 136.68 50.99 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.818 0 CA-C-N 115.353 -0.84 . . . . 0.0 109.951 175.527 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 1.5 tm-20 -66.19 124.72 88.68 Favored Pre-proline 0 C--N 1.325 -0.487 0 CA-C-N 115.973 -0.558 . . . . 0.0 109.911 -179.644 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 52' ' ' PRO . . . . . . . . . . . . . 52.4 Cg_exo -53.34 -39.06 82.65 Favored 'Trans proline' 0 C--O 1.232 0.198 0 C-N-CA 123.021 2.481 . . . . 0.0 112.556 179.985 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 53' ' ' MET . . . . . . . . . . . . . 90.3 mtp -74.97 -20.6 59.6 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.49 -0.323 . . . . 0.0 111.125 -177.615 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 59.1 mt-30 -83.22 -43.87 15.63 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.518 -0.31 . . . . 0.0 110.884 177.657 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 55' ' ' LEU . . . . . 0.43 ' O ' ' HB ' ' A' ' 58' ' ' VAL . 54.0 tp -61.74 -40.15 94.1 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-O 121.646 0.736 . . . . 0.0 109.412 176.01 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 56' ' ' LEU . . . . . 0.588 HD13 ' HG3' ' A' ' 60' ' ' ARG . 2.4 tm? -68.04 -31.08 70.49 Favored 'General case' 0 C--N 1.323 -0.566 0 CA-C-N 115.357 -0.838 . . . . 0.0 109.963 176.337 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 57' ' ' GLU . . . . . 0.4 ' HA ' ' HB2' ' A' ' 60' ' ' ARG . 11.1 tt0 -73.32 -20.92 60.68 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-O 120.55 0.214 . . . . 0.0 110.684 178.146 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 58' ' ' VAL . . . . . 0.523 ' O ' ' HB3' ' A' ' 61' ' ' ARG . 77.1 t -63.7 -55.17 24.14 Favored 'Isoleucine or valine' 0 C--O 1.238 0.474 0 N-CA-C 108.779 -0.823 . . . . 0.0 108.779 168.659 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 59' ' ' ILE . . . . . . . . . . . . . 1.7 mp -56.37 -39.71 62.43 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.633 0 CA-C-N 114.791 -1.095 . . . . 0.0 110.483 176.295 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 60' ' ' ARG . . . . . 0.588 ' HG3' HD13 ' A' ' 56' ' ' LEU . 26.5 mtp180 -76.42 -20.77 56.76 Favored 'General case' 0 C--N 1.332 -0.187 0 N-CA-C 111.943 0.349 . . . . 0.0 111.943 -179.652 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 61' ' ' ARG . . . . . 0.594 ' NH1' ' HA ' ' A' ' 37' ' ' ASP . 14.8 tpt180 -57.69 -40.25 79.03 Favored 'General case' 0 C--N 1.328 -0.343 0 N-CA-C 108.425 -0.954 . . . . 0.0 108.425 171.195 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 62' ' ' PHE . . . . . . . . . . . . . 93.0 m-85 -79.58 -38.28 34.4 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 115.128 -0.942 . . . . 0.0 111.351 174.814 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 63' ' ' GLU . . . . . 0.574 ' HB3' ' HA ' ' A' ' 60' ' ' ARG . 40.4 tt0 -59.02 -56.86 16.77 Favored 'General case' 0 N--CA 1.469 0.496 0 N-CA-C 112.004 0.372 . . . . 0.0 112.004 -176.917 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 3.6 m-20 -59.57 -29.01 67.65 Favored 'General case' 0 N--CA 1.464 0.256 0 CA-C-O 120.973 0.416 . . . . 0.0 110.914 -178.49 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 40.0 ttm180 -73.46 -32.61 64.44 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-N 115.779 -0.646 . . . . 0.0 111.094 -179.944 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 101.89 17.74 19.97 Favored Glycine 0 N--CA 1.449 -0.461 0 C-N-CA 120.558 -0.829 . . . . 0.0 111.878 -176.583 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -104.56 83.16 2.0 Favored 'General case' 0 C--N 1.324 -0.508 0 N-CA-C 109.742 -0.466 . . . . 0.0 109.742 177.983 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 68' ' ' MET . . . . . . . . . . . . . 57.9 mmm -79.3 -37.03 38.71 Favored 'General case' 0 C--N 1.323 -0.554 0 CA-C-N 116.089 -0.505 . . . . 0.0 111.303 -171.108 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 69' ' ' GLU . . . . . 0.529 ' O ' ' HG3' ' A' ' 73' ' ' LYS . 51.2 mm-40 -61.93 -48.12 81.84 Favored 'General case' 0 C--N 1.326 -0.427 0 N-CA-C 110.072 -0.344 . . . . 0.0 110.072 176.253 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 63.9 mtt85 -62.09 -33.46 74.49 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.114 -0.494 . . . . 0.0 111.036 177.892 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -63.92 -38.42 91.01 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-O 120.932 0.396 . . . . 0.0 110.857 178.149 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 72' ' ' ASN . . . . . . . . . . . . . 66.5 t30 -78.08 -35.35 49.52 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 116.35 -0.386 . . . . 0.0 110.234 178.833 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 73' ' ' LYS . . . . . 0.529 ' HG3' ' O ' ' A' ' 69' ' ' GLU . 68.9 mttm -57.05 -47.64 80.47 Favored 'General case' 0 CA--C 1.522 -0.116 0 N-CA-C 109.627 -0.509 . . . . 0.0 109.627 173.813 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -58.55 -50.23 74.55 Favored 'General case' 0 N--CA 1.453 -0.286 0 CA-C-N 115.714 -0.676 . . . . 0.0 110.491 176.255 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 29.4 ttm180 -49.49 -60.8 2.52 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 115.361 -0.836 . . . . 0.0 112.143 -177.166 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 76' ' ' ARG . . . . . 0.434 HH11 ' HD3' ' A' ' 76' ' ' ARG . 17.2 mtm180 -78.03 -28.54 49.09 Favored 'General case' 0 C--N 1.327 -0.407 0 N-CA-C 111.983 0.364 . . . . 0.0 111.983 -172.178 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 77' ' ' ARG . . . . . 0.467 ' O ' HG23 ' A' ' 81' ' ' VAL . 46.8 mtt180 -79.12 -28.14 42.92 Favored 'General case' 0 C--N 1.328 -0.352 0 C-N-CA 120.41 -0.516 . . . . 0.0 111.525 -179.164 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 78' ' ' CYS . . . . . . . . . . . . . 96.1 m -64.87 -41.9 95.27 Favored 'General case' 0 C--N 1.33 -0.277 0 N-CA-C 108.756 -0.831 . . . . 0.0 108.756 169.543 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . -57.55 -35.09 71.35 Favored Glycine 0 N--CA 1.448 -0.509 0 CA-C-N 115.526 -0.761 . . . . 0.0 112.199 173.61 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 33.7 tt0 -66.81 -41.36 87.68 Favored 'General case' 0 C--N 1.331 -0.207 0 N-CA-C 110.193 -0.299 . . . . 0.0 110.193 177.277 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 81' ' ' VAL . . . . . 0.467 HG23 ' O ' ' A' ' 77' ' ' ARG . 59.1 t -62.7 -44.85 99.79 Favored 'Isoleucine or valine' 0 C--O 1.234 0.259 0 CA-C-O 120.776 0.322 . . . . 0.0 110.417 176.81 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 82' ' ' PHE . . . . . 0.502 ' O ' HG13 ' A' ' 86' ' ' ILE . 36.2 m-85 -58.41 -50.55 73.27 Favored 'General case' 0 C--N 1.333 -0.151 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.232 175.646 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 6.0 ttp180 -56.82 -39.57 74.44 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 115.489 -0.778 . . . . 0.0 111.286 178.646 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 84' ' ' TYR . . . . . . . . . . . . . 37.4 t80 -64.85 -52.56 55.98 Favored 'General case' 0 C--O 1.219 -0.532 0 CA-C-N 116.3 -0.409 . . . . 0.0 110.088 179.139 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 85' ' ' ALA . . . . . 0.606 ' HA ' ' HB ' ' A' ' 88' ' ' THR . . . -55.05 -28.95 56.16 Favored 'General case' 0 C--N 1.327 -0.408 0 N-CA-C 111.951 0.352 . . . . 0.0 111.951 178.293 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 86' ' ' ILE . . . . . 0.502 HG13 ' O ' ' A' ' 82' ' ' PHE . 82.6 mt -66.18 -50.79 66.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.722 -0.217 . . . . 0.0 110.691 176.635 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 87' ' ' VAL . . . . . . . . . . . . . 29.7 m -73.48 -24.37 20.19 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.218 0 CA-C-O 121.251 0.548 . . . . 0.0 110.497 177.747 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 88' ' ' THR . . . . . 0.606 ' HB ' ' HA ' ' A' ' 85' ' ' ALA . 25.6 m -65.99 -31.8 72.92 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 115.32 -0.854 . . . . 0.0 110.775 173.022 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . 95.25 21.48 24.84 Favored Glycine 0 N--CA 1.448 -0.534 0 C-N-CA 120.76 -0.733 . . . . 0.0 112.271 179.145 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 60.7 mtt85 -118.33 1.89 11.86 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-O 120.859 0.362 . . . . 0.0 110.952 179.592 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 91' ' ' ALA . . . . . 0.467 ' O ' ' HA ' ' A' ' 86' ' ' ILE . . . -142.3 135.98 29.28 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-N 116.387 -0.37 . . . . 0.0 110.343 176.103 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 86.8 tttt -100.16 -42.22 6.79 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-O 121.42 0.628 . . . . 0.0 109.76 178.326 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 93' ' ' TYR . . . . . . . . . . . . . 43.5 p90 -139.46 172.89 12.15 Favored 'General case' 0 C--N 1.323 -0.562 0 N-CA-C 108.797 -0.816 . . . . 0.0 108.797 174.031 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 94' ' ' ASN . . . . . 0.421 ' HB3' ' HB3' ' A' ' 82' ' ' PHE . 25.1 p30 -131.39 157.78 77.14 Favored Pre-proline 0 C--N 1.321 -0.673 0 CA-C-O 120.702 0.287 . . . . 0.0 110.979 -176.879 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 95' ' ' PRO . . . . . 0.435 ' HG2' ' HB ' ' A' ' 50' ' ' ILE . 3.3 Cg_exo -78.86 19.89 0.84 Allowed 'Trans proline' 0 CA--C 1.53 0.323 0 C-N-CA 123.028 2.485 . . . . 0.0 112.64 176.753 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 96' ' ' ALA . . . . . 0.556 ' N ' ' HD2' ' A' ' 97' ' ' PRO . . . -65.87 -45.59 64.77 Favored Pre-proline 0 CA--C 1.539 0.53 0 N-CA-C 111.75 0.278 . . . . 0.0 111.75 179.662 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 97' ' ' PRO . . . . . 0.556 ' HD2' ' N ' ' A' ' 96' ' ' ALA . 10.2 Cg_endo -55.69 -35.18 92.69 Favored 'Trans proline' 0 C--N 1.355 0.903 0 C-N-CA 122.144 1.896 . . . . 0.0 112.165 173.231 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 14.5 m-20 -77.85 -30.46 50.95 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.5 179.539 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 99' ' ' LEU . . . . . 0.646 HD11 ' HE3' ' A' ' 103' ' ' MET . 3.2 tm? -60.19 -50.51 73.39 Favored 'General case' 0 C--N 1.329 -0.295 0 N-CA-C 109.12 -0.696 . . . . 0.0 109.12 172.472 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 100' ' ' ALA . . . . . . . . . . . . . . . -62.04 -36.98 83.25 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 115.808 -0.633 . . . . 0.0 110.581 178.004 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 9.5 t70 -60.02 -55.75 30.15 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 115.754 -0.657 . . . . 0.0 110.876 177.894 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -64.26 -42.16 96.6 Favored 'General case' 0 C--N 1.323 -0.563 0 CA-C-N 115.686 -0.688 . . . . 0.0 110.929 -177.873 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 103' ' ' MET . . . . . 0.646 ' HE3' HD11 ' A' ' 99' ' ' LEU . 50.6 ttm -63.86 -31.0 72.03 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.018 -0.537 . . . . 0.0 110.979 179.893 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 104' ' ' LYS . . . . . . . . . . . . . 50.5 tttm -61.63 -38.21 86.81 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 116.289 -0.414 . . . . 0.0 110.528 177.429 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 105' ' ' GLY . . . . . . . . . . . . . . . -70.99 -37.27 64.48 Favored Glycine 0 N--CA 1.449 -0.458 0 C-N-CA 120.918 -0.658 . . . . 0.0 111.876 177.987 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 106' ' ' TYR . . . . . . . . . . . . . 76.6 m-85 -84.72 2.51 41.61 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.567 0.222 . . . . 0.0 111.472 -179.37 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 107' ' ' ARG . . . . . . . . . . . . . 10.9 ttp180 -82.06 -21.92 36.63 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-O 121.337 0.589 . . . . 0.0 109.493 177.795 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 108' ' ' LYS . . . . . . . . . . . . . 81.5 tttt -93.46 68.57 4.13 Favored 'General case' 0 C--N 1.325 -0.494 0 N-CA-C 108.389 -0.967 . . . . 0.0 108.389 178.294 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 109' ' ' LYS . . . . . . . . . . . . . 61.3 mttm -73.34 -17.75 61.26 Favored 'General case' 0 C--N 1.321 -0.649 0 CA-C-N 114.273 -1.33 . . . . 0.0 111.982 -174.293 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 110' ' ' ASN . . . . . . . . . . . . . 95.9 m-20 -74.83 -13.71 60.6 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-O 120.874 0.369 . . . . 0.0 110.541 177.231 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 111' ' ' LEU . . . . . . . . . . . . . 52.4 tp -89.49 122.73 32.95 Favored 'General case' 0 C--N 1.323 -0.545 0 N-CA-C 108.944 -0.761 . . . . 0.0 108.944 173.146 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 112' ' ' GLU . . . . . . . . . . . . . 35.2 mt-10 -72.08 103.68 3.35 Favored 'General case' 0 C--N 1.323 -0.561 0 CA-C-O 121.013 0.435 . . . . 0.0 110.653 -176.888 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 113' ' ' HIS . . . . . . . . . . . . . 81.1 m-70 -84.58 133.06 34.44 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 115.971 -0.559 . . . . 0.0 111.138 -176.754 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 114' ' ' HIS . . . . . . . . . . . . . 73.5 t60 -136.28 111.1 8.76 Favored 'General case' 0 C--N 1.324 -0.542 0 CA-C-N 115.663 -0.699 . . . . 0.0 110.045 177.009 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 115' ' ' HIS . . . . . 0.446 ' HB2' ' HB2' ' A' ' 118' ' ' HIS . 20.8 m170 -74.68 154.36 38.49 Favored 'General case' 0 C--N 1.324 -0.507 0 N-CA-C 109.484 -0.561 . . . . 0.0 109.484 177.131 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 116' ' ' HIS . . . . . . . . . . . . . 15.9 t-80 -80.93 -9.75 59.8 Favored 'General case' 0 C--N 1.322 -0.597 0 CA-C-O 121.251 0.548 . . . . 0.0 109.744 177.012 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 117' ' ' HIS . . . . . . . . . . . . . 62.1 m-70 -105.23 -1.95 24.7 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-N 115.699 -0.682 . . . . 0.0 110.423 175.644 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 118' ' ' HIS . . . . . 0.446 ' HB2' ' HB2' ' A' ' 115' ' ' HIS . 26.9 m-70 . . . . . 0 C--O 1.244 0.772 0 CA-C-O 118.376 -0.821 . . . . 0.0 110.192 179.376 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 29.2 t . . . . . 0 N--CA 1.475 0.809 0 N-CA-C 109.942 -0.392 . . . . 0.0 109.942 . . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 19.1 m -72.05 -56.46 5.59 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-O 120.989 0.423 . . . . 0.0 109.896 177.498 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 3' ' ' ASN . . . . . . . . . . . . . 91.1 m-20 -90.93 84.01 5.73 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 121.171 0.51 . . . . 0.0 109.756 174.924 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 4' ' ' ASN . . . . . . . . . . . . . 36.8 t30 -77.61 123.25 26.38 Favored 'General case' 0 C--N 1.323 -0.546 0 CA-C-N 115.83 -0.623 . . . . 0.0 110.423 -179.379 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 4.6 m-20 -93.59 7.18 45.69 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 115.961 -0.563 . . . . 0.0 111.224 -176.352 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 6' ' ' SER . . . . . 0.547 ' HA ' ' HA ' ' A' ' 46' ' ' GLU . 49.8 m -65.71 145.23 56.27 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-O 120.7 0.286 . . . . 0.0 110.242 176.555 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 7' ' ' PHE . . . . . . . . . . . . . 45.2 t80 -56.05 -42.21 76.26 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 115.915 -0.584 . . . . 0.0 111.0 -176.457 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 45.7 t -53.61 -38.86 64.42 Favored 'General case' 0 C--O 1.234 0.248 0 CA-C-N 116.38 -0.373 . . . . 0.0 111.619 179.11 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -70.57 -50.18 40.02 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.007 -176.722 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 10' ' ' ILE . . . . . 0.414 HD13 ' HB2' ' A' ' 85' ' ' ALA . 80.5 mt -69.9 -38.47 75.69 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 CA-C-N 115.936 -0.574 . . . . 0.0 110.651 -178.558 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 43.6 t80 -56.97 -41.73 78.88 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.812 175.457 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 66.4 tttm -66.22 -43.33 87.0 Favored 'General case' 0 C--N 1.329 -0.294 0 C-N-CA 120.711 -0.396 . . . . 0.0 110.673 -179.56 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 37.1 tt0 -63.32 -44.93 93.53 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.865 0.364 . . . . 0.0 110.253 178.478 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 14' ' ' TRP . . . . . . . . . . . . . 66.0 t90 -60.03 -50.29 74.32 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 115.87 -0.605 . . . . 0.0 110.525 177.028 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 15' ' ' TYR . . . . . 0.457 ' CE1' ' HB2' ' A' ' 31' ' ' ALA . 17.8 t80 -60.18 -48.05 83.37 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.179 178.331 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 28.9 tt0 -63.5 -35.91 82.04 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-O 121.06 0.457 . . . . 0.0 110.469 -176.602 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 17' ' ' HIS . . . . . . . . . . . . . 63.7 t60 -71.81 -44.26 64.23 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 115.827 -0.624 . . . . 0.0 110.423 178.082 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 24.7 mmtm -73.57 -19.18 60.96 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.342 -0.39 . . . . 0.0 111.51 179.5 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 63.8 tttm -65.77 -19.16 65.79 Favored 'General case' 0 C--N 1.324 -0.543 0 CA-C-O 121.267 0.556 . . . . 0.0 109.977 177.699 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 71.6 mt-30 -88.03 -8.77 55.11 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 115.744 -0.662 . . . . 0.0 110.326 177.994 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 57.4 t -102.45 -47.95 10.95 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 CA-C-N 116.026 -0.534 . . . . 0.0 111.171 -176.12 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 22' ' ' TRP . . . . . . . . . . . . . 10.5 m0 -86.23 172.59 10.39 Favored 'General case' 0 C--N 1.322 -0.614 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.934 -177.562 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 43.6 m -78.37 152.87 32.06 Favored 'General case' 0 C--N 1.324 -0.507 0 N-CA-C 109.232 -0.655 . . . . 0.0 109.232 171.957 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 8.4 p -61.44 -31.09 49.51 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-O 120.591 0.234 . . . . 0.0 111.472 -174.237 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -64.59 -57.25 13.22 Favored Glycine 0 C--N 1.331 0.261 0 C-N-CA 120.859 -0.686 . . . . 0.0 112.075 178.689 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 26' ' ' TYR . . . . . . . . . . . . . 64.5 t80 -57.69 -41.77 82.31 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-O 120.778 0.323 . . . . 0.0 110.564 176.947 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -61.16 -45.04 96.28 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.01 -0.541 . . . . 0.0 111.359 -179.199 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 58.6 m -62.97 -45.72 91.11 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-O 120.897 0.38 . . . . 0.0 110.73 179.216 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 15.2 tp10 -58.64 -52.57 65.12 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 115.729 -0.668 . . . . 0.0 110.891 -179.577 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 10.4 tt -63.9 -43.5 95.79 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 115.737 -0.665 . . . . 0.0 110.47 -178.274 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 31' ' ' ALA . . . . . 0.457 ' HB2' ' CE1' ' A' ' 15' ' ' TYR . . . -64.62 -42.84 95.23 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 116.074 -0.512 . . . . 0.0 111.794 -177.104 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 32' ' ' LYS . . . . . 0.475 ' O ' ' HB2' ' A' ' 36' ' ' ASP . 56.4 tttp -65.02 -53.2 49.77 Favored 'General case' 0 C--O 1.22 -0.477 0 C-N-CA 120.191 -0.604 . . . . 0.0 111.19 -176.423 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 33' ' ' MET . . . . . 0.49 ' SD ' ' HD2' ' A' ' 70' ' ' ARG . 26.2 ptt? -58.36 -39.46 79.62 Favored 'General case' 0 C--O 1.236 0.345 0 C-N-CA 120.694 -0.402 . . . . 0.0 110.814 -177.279 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 34' ' ' PHE . . . . . 0.443 ' CD2' HD12 ' A' ' 38' ' ' ILE . 0.2 OUTLIER -66.38 -56.26 11.9 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 115.875 -0.602 . . . . 0.0 110.483 179.26 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 35' ' ' ASP . . . . . 0.95 ' HA ' HD23 ' A' ' 39' ' ' LEU . 14.2 t70 -62.05 -48.55 79.75 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-O 120.906 0.384 . . . . 0.0 111.616 -179.0 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 36' ' ' ASP . . . . . 0.475 ' HB2' ' O ' ' A' ' 32' ' ' LYS . 4.4 t70 -57.16 -43.55 82.64 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-N 115.7 -0.682 . . . . 0.0 111.865 -173.454 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -100.02 -44.33 6.05 Favored 'General case' 0 C--N 1.328 -0.353 0 N-CA-C 112.657 0.614 . . . . 0.0 112.657 -175.427 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 38' ' ' ILE . . . . . 0.584 HG12 HG13 ' A' ' 58' ' ' VAL . 34.2 mt -79.05 -33.0 15.59 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 N-CA-C 112.632 0.604 . . . . 0.0 112.632 -169.848 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 39' ' ' LEU . . . . . 0.95 HD23 ' HA ' ' A' ' 35' ' ' ASP . 2.5 mm? -59.68 -48.2 95.85 Favored Pre-proline 0 CA--C 1.536 0.435 0 N-CA-C 112.206 0.447 . . . . 0.0 112.206 -178.399 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 31.6 Cg_exo -62.04 -16.42 49.98 Favored 'Trans proline' 0 C--N 1.351 0.663 0 C-N-CA 121.87 1.713 . . . . 0.0 113.133 175.428 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 41' ' ' ILE . . . . . 0.576 HG22 HG23 ' A' ' 42' ' ' ILE . 66.4 mt -91.95 -58.48 3.57 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.211 0 N-CA-C 111.644 0.238 . . . . 0.0 111.644 -177.561 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 42' ' ' ILE . . . . . 0.576 HG23 HG22 ' A' ' 41' ' ' ILE . 12.2 pt -128.6 3.69 2.95 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.287 0 N-CA-C 111.956 0.354 . . . . 0.0 111.956 -177.835 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 43' ' ' GLY . . . . . 0.562 ' HA3' HD13 ' A' ' 39' ' ' LEU . . . -60.7 -35.56 89.94 Favored Glycine 0 N--CA 1.452 -0.265 0 C-N-CA 120.712 -0.756 . . . . 0.0 112.56 -176.676 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -89.92 5.23 83.4 Favored Glycine 0 N--CA 1.446 -0.676 0 C-N-CA 120.887 -0.673 . . . . 0.0 112.57 179.776 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 96.0 mt -95.63 148.35 22.63 Favored 'General case' 0 C--N 1.328 -0.33 0 N-CA-C 110.039 -0.356 . . . . 0.0 110.039 -179.67 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 46' ' ' GLU . . . . . 0.547 ' HA ' ' HA ' ' A' ' 6' ' ' SER . 36.2 mt-10 -76.79 130.25 37.41 Favored 'General case' 0 C--N 1.322 -0.62 0 N-CA-C 109.062 -0.718 . . . . 0.0 109.062 176.786 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 47' ' ' ILE . . . . . 0.565 HD11 ' HA ' ' A' ' 82' ' ' PHE . 15.4 tt -59.56 -20.67 19.18 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 CA-C-N 116.015 -0.539 . . . . 0.0 111.978 -170.52 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 84.9 mt-30 -78.26 -28.76 47.76 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 116.495 -0.32 . . . . 0.0 111.135 -179.905 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 25.2 m-20 -109.31 10.19 25.63 Favored 'General case' 0 C--N 1.329 -0.286 0 N-CA-C 112.132 0.419 . . . . 0.0 112.132 -171.507 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 50' ' ' ILE . . . . . . . . . . . . . 63.9 mt -67.41 125.56 25.19 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.562 0 CA-C-O 120.827 0.346 . . . . 0.0 110.179 177.432 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 51' ' ' GLU . . . . . 0.563 ' HG3' ' HB2' ' A' ' 54' ' ' GLN . 4.6 pt-20 -87.31 155.5 54.43 Favored Pre-proline 0 C--N 1.325 -0.494 0 CA-C-N 115.91 -0.586 . . . . 0.0 110.913 -177.236 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 52' ' ' PRO . . . . . 0.406 ' HD2' ' HB2' ' A' ' 51' ' ' GLU . 12.5 Cg_endo -56.1 -42.57 65.13 Favored 'Trans proline' 0 C--N 1.346 0.402 0 C-N-CA 123.205 2.603 . . . . 0.0 113.223 -178.321 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 53' ' ' MET . . . . . . . . . . . . . 63.9 mtt -78.95 -15.33 58.44 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.585 0.231 . . . . 0.0 111.568 -175.736 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 54' ' ' GLN . . . . . 0.563 ' HB2' ' HG3' ' A' ' 51' ' ' GLU . 41.8 tp60 -84.7 -37.73 20.6 Favored 'General case' 0 C--N 1.328 -0.368 0 N-CA-C 109.399 -0.593 . . . . 0.0 109.399 176.907 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 55' ' ' LEU . . . . . 0.425 ' O ' ' HB ' ' A' ' 58' ' ' VAL . 33.0 tp -68.81 -33.61 74.14 Favored 'General case' 0 C--N 1.326 -0.435 0 N-CA-C 108.691 -0.855 . . . . 0.0 108.691 172.597 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 47.0 tp -69.13 -26.91 65.13 Favored 'General case' 0 C--O 1.221 -0.437 0 CA-C-N 115.505 -0.771 . . . . 0.0 110.054 174.239 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 8.5 tt0 -65.07 -36.98 86.05 Favored 'General case' 0 C--N 1.329 -0.292 0 N-CA-C 109.429 -0.582 . . . . 0.0 109.429 176.788 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 58' ' ' VAL . . . . . 0.584 HG13 HG12 ' A' ' 38' ' ' ILE . 38.5 t -59.46 -50.8 78.57 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 CA-C-N 115.579 -0.737 . . . . 0.0 110.699 173.08 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 59' ' ' ILE . . . . . 0.404 HG21 ' CE ' ' A' ' 103' ' ' MET . 31.8 mm -68.74 -37.95 78.2 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.531 0 CA-C-N 116.424 -0.353 . . . . 0.0 110.354 -179.281 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 40.6 ttp85 -57.39 -36.42 71.27 Favored 'General case' 0 C--N 1.332 -0.171 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.172 174.081 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 61' ' ' ARG . . . . . 0.556 ' HB3' ' O ' ' A' ' 58' ' ' VAL . 24.8 tpt180 -59.27 -47.2 86.25 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 115.788 -0.642 . . . . 0.0 110.423 175.95 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 62' ' ' PHE . . . . . 0.477 ' O ' ' HB2' ' A' ' 65' ' ' ARG . 61.7 m-85 -70.18 -32.65 70.67 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.339 -0.391 . . . . 0.0 111.401 179.279 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 34.3 tt0 -64.98 -46.43 81.48 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 121.062 0.458 . . . . 0.0 110.137 175.201 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 35.4 t70 -65.68 -25.29 67.27 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 115.459 -0.791 . . . . 0.0 110.574 179.078 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 65' ' ' ARG . . . . . 0.477 ' HB2' ' O ' ' A' ' 62' ' ' PHE . 28.1 mtt-85 -64.75 -37.15 86.62 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 115.881 -0.6 . . . . 0.0 111.122 173.574 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 98.05 -1.54 59.38 Favored Glycine 0 N--CA 1.445 -0.702 0 N-CA-C 110.233 -1.147 . . . . 0.0 110.233 -169.194 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -90.1 72.47 7.31 Favored 'General case' 0 N--CA 1.452 -0.346 0 CA-C-N 115.132 -0.534 . . . . 0.0 109.64 178.236 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 68' ' ' MET . . . . . . . . . . . . . 69.1 mmm -69.82 -37.9 76.39 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-N 115.769 -0.65 . . . . 0.0 111.026 -173.897 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 27.1 mt-10 -67.68 -38.89 84.32 Favored 'General case' 0 C--N 1.321 -0.636 0 CA-C-N 115.986 -0.552 . . . . 0.0 110.499 -179.406 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 70' ' ' ARG . . . . . 0.49 ' HD2' ' SD ' ' A' ' 33' ' ' MET . 72.7 mtm180 -78.87 -17.31 55.8 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.337 -0.392 . . . . 0.0 111.004 176.57 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -68.59 -44.91 73.34 Favored 'General case' 0 C--N 1.332 -0.195 0 CA-C-O 121.147 0.498 . . . . 0.0 110.104 174.673 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 72' ' ' ASN . . . . . . . . . . . . . 38.9 m-80 -65.16 -36.36 83.98 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 115.714 -0.675 . . . . 0.0 109.988 175.306 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 84.6 tttt -67.5 -40.11 85.19 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.01 -0.541 . . . . 0.0 110.669 178.34 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -54.44 -43.46 71.63 Favored 'General case' 0 CA--C 1.521 -0.138 0 CA-C-O 120.86 0.362 . . . . 0.0 110.347 176.213 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 75' ' ' ARG . . . . . 0.4 ' HG3' ' CD1' ' A' ' 99' ' ' LEU . 28.2 ttm180 -57.71 -51.99 67.28 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 115.654 -0.703 . . . . 0.0 110.952 179.377 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 34.9 ttm180 -64.04 -45.26 89.65 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 115.919 -0.582 . . . . 0.0 111.35 -176.906 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 77' ' ' ARG . . . . . 0.422 HH11 ' HD2' ' A' ' 77' ' ' ARG . 2.0 mmp_? -65.71 -42.25 91.32 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.502 -0.317 . . . . 0.0 111.046 -177.776 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 78' ' ' CYS . . . . . 0.502 ' O ' ' HD1' ' A' ' 82' ' ' PHE . 80.7 m -62.6 -45.43 92.91 Favored 'General case' 0 C--N 1.333 -0.127 0 C-N-CA 121.255 -0.178 . . . . 0.0 110.54 178.575 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . -57.95 -34.42 71.99 Favored Glycine 0 C--N 1.333 0.412 0 C-N-CA 120.84 -0.695 . . . . 0.0 111.979 177.508 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 31.0 tt0 -67.11 -39.75 86.74 Favored 'General case' 0 C--N 1.329 -0.299 0 N-CA-C 110.115 -0.328 . . . . 0.0 110.115 177.237 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 89.3 t -63.11 -44.76 99.65 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.196 0 CA-C-O 120.839 0.352 . . . . 0.0 110.483 177.02 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 82' ' ' PHE . . . . . 0.565 ' HA ' HD11 ' A' ' 47' ' ' ILE . 47.9 m-85 -58.9 -47.16 85.95 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.649 177.181 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 83' ' ' ARG . . . . . 0.438 ' HA ' HD12 ' A' ' 86' ' ' ILE . 20.7 ttp85 -68.07 -33.81 75.25 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.334 -0.393 . . . . 0.0 110.586 -179.972 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 84' ' ' TYR . . . . . . . . . . . . . 21.8 t80 -59.55 -41.24 89.64 Favored 'General case' 0 C--N 1.329 -0.29 0 N-CA-C 109.419 -0.585 . . . . 0.0 109.419 176.098 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 85' ' ' ALA . . . . . 0.51 ' HA ' ' OG1' ' A' ' 88' ' ' THR . . . -69.25 -30.96 69.21 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-N 115.438 -0.801 . . . . 0.0 111.034 177.88 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 86' ' ' ILE . . . . . 0.496 HG13 ' O ' ' A' ' 82' ' ' PHE . 73.1 mt -64.55 -47.08 90.63 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.397 0 CA-C-O 121.095 0.474 . . . . 0.0 109.987 175.991 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 87' ' ' VAL . . . . . 0.413 HG23 ' O ' ' A' ' 83' ' ' ARG . 54.3 t -65.4 -35.09 74.48 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.364 0 CA-C-N 115.735 -0.666 . . . . 0.0 111.003 179.537 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 88' ' ' THR . . . . . 0.51 ' OG1' ' HA ' ' A' ' 85' ' ' ALA . 17.2 p -83.57 2.85 35.18 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 116.43 -0.35 . . . . 0.0 111.651 -179.11 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . 70.57 41.24 65.96 Favored Glycine 0 C--N 1.332 0.339 0 C-N-CA 121.088 -0.577 . . . . 0.0 112.578 176.573 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 76.9 mtt180 -124.29 -29.05 3.59 Favored 'General case' 0 C--N 1.323 -0.56 0 CA-C-O 120.751 0.31 . . . . 0.0 110.971 -179.463 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 91' ' ' ALA . . . . . 0.406 ' O ' ' HA ' ' A' ' 86' ' ' ILE . . . -118.42 137.38 53.19 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-O 120.866 0.365 . . . . 0.0 110.8 179.786 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 77.9 tttt -104.82 -37.25 7.1 Favored 'General case' 0 C--N 1.321 -0.632 0 CA-C-N 115.846 -0.615 . . . . 0.0 110.844 178.655 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 93' ' ' TYR . . . . . . . . . . . . . 91.6 t80 -139.0 137.56 36.45 Favored 'General case' 0 C--N 1.324 -0.531 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.853 -176.169 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 94' ' ' ASN . . . . . . . . . . . . . 10.2 p30 -113.49 138.75 22.66 Favored Pre-proline 0 C--N 1.326 -0.426 0 N-CA-C 109.508 -0.553 . . . . 0.0 109.508 174.77 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 95' ' ' PRO . . . . . . . . . . . . . 85.1 Cg_endo -82.17 28.54 0.56 Allowed 'Trans proline' 0 N--CA 1.463 -0.317 0 C-N-CA 122.72 2.28 . . . . 0.0 112.464 179.689 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 96' ' ' ALA . . . . . 0.572 ' N ' ' HD2' ' A' ' 97' ' ' PRO . . . -65.6 -45.53 67.6 Favored Pre-proline 0 CA--C 1.537 0.475 0 N-CA-C 112.577 0.584 . . . . 0.0 112.577 -177.739 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 97' ' ' PRO . . . . . 0.572 ' HD2' ' N ' ' A' ' 96' ' ' ALA . 5.7 Cg_endo -51.53 -45.74 35.87 Favored 'Trans proline' 0 C--N 1.358 1.035 0 C-N-CA 122.093 1.862 . . . . 0.0 112.486 175.06 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 8.4 m-20 -80.52 -21.27 42.03 Favored 'General case' 0 C--O 1.224 -0.261 0 C-N-CA 121.096 -0.241 . . . . 0.0 111.353 179.104 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 99' ' ' LEU . . . . . 0.437 ' HB3' ' O ' ' A' ' 96' ' ' ALA . 2.5 tm? -59.68 -50.43 73.88 Favored 'General case' 0 C--N 1.327 -0.403 0 N-CA-C 109.219 -0.66 . . . . 0.0 109.219 173.603 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 100' ' ' ALA . . . . . . . . . . . . . . . -68.71 -34.73 76.14 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 115.684 -0.689 . . . . 0.0 110.662 179.038 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 30.3 t70 -69.82 -41.21 75.29 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 116.013 -0.54 . . . . 0.0 111.151 -178.684 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -66.58 -48.22 70.29 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.287 178.036 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 103' ' ' MET . . . . . 0.404 ' CE ' HG21 ' A' ' 59' ' ' ILE . 38.3 ttm -50.63 -47.13 58.52 Favored 'General case' 0 N--CA 1.464 0.266 0 CA-C-N 116.005 -0.543 . . . . 0.0 111.111 171.767 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 104' ' ' LYS . . . . . . . . . . . . . 36.2 tttm -61.11 -34.05 74.33 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-N 115.546 -0.752 . . . . 0.0 111.217 179.427 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 105' ' ' GLY . . . . . . . . . . . . . . . -107.9 31.19 8.19 Favored Glycine 0 N--CA 1.448 -0.506 0 C-N-CA 120.774 -0.727 . . . . 0.0 112.206 179.4 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 106' ' ' TYR . . . . . . . . . . . . . 41.5 t80 -97.96 -11.23 23.32 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-O 121.52 0.676 . . . . 0.0 110.352 179.328 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 107' ' ' ARG . . . . . 0.414 HH11 ' HD2' ' A' ' 107' ' ' ARG . 8.8 ttm180 -132.11 57.13 1.79 Allowed 'General case' 0 C--N 1.321 -0.666 0 N-CA-C 108.697 -0.853 . . . . 0.0 108.697 -176.913 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 108' ' ' LYS . . . . . . . . . . . . . 85.5 mttt -67.72 -38.9 84.23 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 114.355 -1.293 . . . . 0.0 111.918 -174.964 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 109' ' ' LYS . . . . . . . . . . . . . 76.3 tttt -82.89 112.83 20.05 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-O 121.245 0.545 . . . . 0.0 111.425 -170.995 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 110' ' ' ASN . . . . . . . . . . . . . 33.6 t-20 -99.26 147.63 24.97 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 115.438 -0.801 . . . . 0.0 109.108 177.787 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 111' ' ' LEU . . . . . . . . . . . . . 84.5 mt -79.22 -59.92 2.58 Favored 'General case' 0 C--N 1.323 -0.582 0 CA-C-N 116.488 -0.324 . . . . 0.0 111.46 -175.236 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 112' ' ' GLU . . . . . . . . . . . . . 41.1 tt0 -92.41 137.36 32.43 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-O 120.902 0.382 . . . . 0.0 110.799 -175.47 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 113' ' ' HIS . . . . . . . . . . . . . 76.5 m-70 -130.96 162.4 29.8 Favored 'General case' 0 C--N 1.327 -0.412 0 N-CA-C 109.503 -0.555 . . . . 0.0 109.503 179.855 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 114' ' ' HIS . . . . . . . . . . . . . 12.7 t-80 -72.85 -31.15 64.55 Favored 'General case' 0 C--N 1.327 -0.377 0 N-CA-C 111.579 0.214 . . . . 0.0 111.579 -174.995 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 115' ' ' HIS . . . . . . . . . . . . . 18.8 m80 -86.05 97.98 10.6 Favored 'General case' 0 C--N 1.324 -0.531 0 CA-C-O 121.054 0.454 . . . . 0.0 110.593 177.075 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 116' ' ' HIS . . . . . . . . . . . . . 64.9 m-70 -89.5 68.65 7.83 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-N 115.873 -0.603 . . . . 0.0 109.381 -179.634 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 117' ' ' HIS . . . . . . . . . . . . . 49.7 p-80 -81.57 160.61 23.8 Favored 'General case' 0 C--N 1.321 -0.644 0 CA-C-N 115.459 -0.791 . . . . 0.0 110.847 -177.544 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 118' ' ' HIS . . . . . . . . . . . . . 47.6 m80 . . . . . 0 C--O 1.247 0.935 0 CA-C-O 118.596 -0.716 . . . . 0.0 109.877 -179.703 . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 20.0 m . . . . . 0 N--CA 1.477 0.918 0 N-CA-C 110.15 -0.315 . . . . 0.0 110.15 . . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 43.4 m -77.73 129.27 35.3 Favored 'General case' 0 C--N 1.322 -0.589 0 N-CA-C 108.682 -0.859 . . . . 0.0 108.682 169.331 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 3' ' ' ASN . . . . . . . . . . . . . 82.6 m-20 65.92 84.57 0.15 Allowed 'General case' 0 C--N 1.331 -0.212 0 O-C-N 123.692 0.62 . . . . 0.0 109.502 -171.1 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 4' ' ' ASN . . . . . . . . . . . . . 81.7 m-20 -82.63 -21.3 35.13 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-N 116.035 -0.529 . . . . 0.0 110.996 -176.74 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 83.8 m-20 -95.52 24.99 4.75 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-N 115.822 -0.626 . . . . 0.0 110.728 -179.324 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 61.8 m -62.92 141.43 58.71 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 115.976 -0.556 . . . . 0.0 109.797 175.668 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 7' ' ' PHE . . . . . 0.648 ' HE1' ' HZ ' ' A' ' 34' ' ' PHE . 5.3 t80 -58.54 -43.84 89.43 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 116.375 -0.375 . . . . 0.0 110.716 -175.972 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 50.1 m -57.59 -39.31 76.53 Favored 'General case' 0 CA--C 1.531 0.245 0 CA-C-N 116.488 -0.324 . . . . 0.0 111.674 178.973 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -66.11 -51.49 57.45 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.998 0.428 . . . . 0.0 110.942 -177.241 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 57.6 mt -66.07 -35.29 74.68 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.396 0 CA-C-N 115.963 -0.562 . . . . 0.0 110.516 -179.343 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 11' ' ' TYR . . . . . 0.534 ' OH ' ' HA ' ' A' ' 31' ' ' ALA . 90.8 t80 -61.08 -42.94 99.43 Favored 'General case' 0 C--O 1.223 -0.31 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.582 176.319 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 84.1 tttt -65.21 -34.29 78.01 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-O 120.646 0.26 . . . . 0.0 111.167 -176.904 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 47.4 tt0 -66.46 -51.17 59.66 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 121.175 0.512 . . . . 0.0 109.899 176.015 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 14' ' ' TRP . . . . . 0.411 ' HZ3' ' CE1' ' A' ' 11' ' ' TYR . 62.6 t90 -61.34 -45.46 94.32 Favored 'General case' 0 C--O 1.237 0.427 0 CA-C-N 115.286 -0.87 . . . . 0.0 110.999 179.111 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 15' ' ' TYR . . . . . 0.495 ' CE1' ' HB2' ' A' ' 31' ' ' ALA . 22.0 t80 -58.09 -56.2 25.07 Favored 'General case' 0 C--O 1.224 -0.287 0 CA-C-N 116.046 -0.525 . . . . 0.0 111.345 179.859 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 21.5 tt0 -63.97 -23.96 67.54 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.899 0.38 . . . . 0.0 110.668 -173.924 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 17' ' ' HIS . . . . . . . . . . . . . 75.4 t60 -69.78 -58.73 3.55 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-O 121.03 0.443 . . . . 0.0 110.419 175.289 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 81.5 mttt -77.89 -3.78 43.41 Favored 'General case' 0 C--N 1.329 -0.286 0 N-CA-C 111.776 0.287 . . . . 0.0 111.776 -177.035 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 83.7 tttt -64.27 -21.9 66.76 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-O 121.165 0.507 . . . . 0.0 109.892 174.997 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 92.6 mt-30 -85.86 -15.3 42.28 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 115.833 -0.621 . . . . 0.0 110.474 178.206 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 52.1 t -88.13 -53.48 9.67 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.385 0 CA-C-O 121.209 0.528 . . . . 0.0 110.358 -178.523 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 22' ' ' TRP . . . . . . . . . . . . . 8.0 m0 -78.41 171.65 14.78 Favored 'General case' 0 C--N 1.321 -0.662 0 CA-C-N 115.764 -0.653 . . . . 0.0 110.111 -179.865 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 36.4 p -73.94 149.02 41.64 Favored 'General case' 0 C--N 1.32 -0.693 0 N-CA-C 109.592 -0.521 . . . . 0.0 109.592 175.945 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 11.4 p -59.28 -36.15 61.95 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.392 0 CA-C-O 120.682 0.277 . . . . 0.0 111.236 -177.238 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -67.28 -42.85 90.05 Favored Glycine 0 N--CA 1.449 -0.459 0 C-N-CA 120.928 -0.653 . . . . 0.0 111.761 179.08 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 26' ' ' TYR . . . . . . . . . . . . . 70.1 t80 -70.61 -41.14 72.68 Favored 'General case' 0 C--N 1.325 -0.493 0 N-CA-C 110.257 -0.275 . . . . 0.0 110.257 179.023 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -62.47 -42.96 99.85 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.308 -0.406 . . . . 0.0 111.026 -179.368 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 61.5 m -62.21 -44.41 96.64 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.3 -0.409 . . . . 0.0 110.655 178.442 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 29' ' ' GLU . . . . . 0.593 ' O ' ' HG3' ' A' ' 33' ' ' MET . 10.8 tp10 -67.43 -46.19 73.87 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.41 -0.359 . . . . 0.0 110.572 -179.821 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 10.3 tt -57.1 -47.51 80.89 Favored 'General case' 0 C--O 1.235 0.294 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.58 -179.95 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 31' ' ' ALA . . . . . 0.534 ' HA ' ' OH ' ' A' ' 11' ' ' TYR . . . -65.55 -37.39 86.58 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 116.356 -0.384 . . . . 0.0 110.656 179.307 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 32' ' ' LYS . . . . . 0.521 ' O ' ' HB2' ' A' ' 36' ' ' ASP . 54.0 tttm -63.37 -44.32 95.1 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.547 -0.297 . . . . 0.0 110.688 178.076 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 33' ' ' MET . . . . . 0.593 ' HG3' ' O ' ' A' ' 29' ' ' GLU . 38.2 mtm -57.06 -40.97 77.89 Favored 'General case' 0 N--CA 1.464 0.245 0 CA-C-O 121.433 0.635 . . . . 0.0 110.314 178.194 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 34' ' ' PHE . . . . . 0.692 ' O ' ' HB ' ' A' ' 38' ' ' ILE . 8.3 t80 -71.23 -45.65 62.82 Favored 'General case' 0 N--CA 1.449 -0.48 0 CA-C-N 115.355 -0.838 . . . . 0.0 110.016 -177.179 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 35' ' ' ASP . . . . . 0.865 ' HA ' ' HG ' ' A' ' 39' ' ' LEU . 10.5 t70 -58.74 -58.52 8.21 Favored 'General case' 0 C--N 1.322 -0.6 0 CA-C-N 115.773 -0.649 . . . . 0.0 110.023 176.188 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 36' ' ' ASP . . . . . 0.521 ' HB2' ' O ' ' A' ' 32' ' ' LYS . 1.0 OUTLIER -52.67 -46.19 67.09 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 114.441 -1.254 . . . . 0.0 113.33 -170.979 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 37' ' ' ASP . . . . . 0.426 ' O ' HG12 ' A' ' 41' ' ' ILE . 37.8 m-20 -110.96 -42.84 3.88 Favored 'General case' 0 C--N 1.326 -0.444 0 N-CA-C 112.506 0.558 . . . . 0.0 112.506 -172.479 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 38' ' ' ILE . . . . . 0.692 ' HB ' ' O ' ' A' ' 34' ' ' PHE . 1.5 mp -69.65 -39.82 78.64 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 CA-C-O 120.418 0.152 . . . . 0.0 111.31 -174.75 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 39' ' ' LEU . . . . . 0.865 ' HG ' ' HA ' ' A' ' 35' ' ' ASP . 13.7 mt -63.7 -47.28 82.31 Favored Pre-proline 0 CA--C 1.534 0.34 0 N-CA-C 112.796 0.665 . . . . 0.0 112.796 -172.926 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 40' ' ' PRO . . . . . 0.45 ' HD3' ' HB2' ' A' ' 39' ' ' LEU . 55.6 Cg_exo -54.99 -26.62 50.35 Favored 'Trans proline' 0 C--N 1.351 0.696 0 C-N-CA 121.862 1.708 . . . . 0.0 112.542 175.019 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 41' ' ' ILE . . . . . 0.545 HG22 HG23 ' A' ' 42' ' ' ILE . 31.6 mm -88.82 -64.03 1.21 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.352 0 CA-C-N 116.663 -0.244 . . . . 0.0 111.299 -176.391 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 42' ' ' ILE . . . . . 0.545 HG23 HG22 ' A' ' 41' ' ' ILE . 11.3 pt -128.82 8.4 2.75 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.256 0 N-CA-C 112.532 0.568 . . . . 0.0 112.532 -174.725 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 43' ' ' GLY . . . . . 0.547 ' HA3' ' HA ' ' A' ' 39' ' ' LEU . . . -61.7 -38.63 96.21 Favored Glycine 0 C--O 1.237 0.32 0 C-N-CA 120.483 -0.865 . . . . 0.0 112.848 -176.204 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -89.53 9.11 78.27 Favored Glycine 0 N--CA 1.445 -0.736 0 C-N-CA 120.816 -0.707 . . . . 0.0 112.301 -178.937 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 45' ' ' LEU . . . . . 0.422 HD12 ' HA ' ' A' ' 42' ' ' ILE . 96.6 mt -94.63 157.04 16.14 Favored 'General case' 0 C--N 1.327 -0.391 0 N-CA-C 109.923 -0.399 . . . . 0.0 109.923 178.432 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 44.1 mt-10 -81.15 140.8 34.78 Favored 'General case' 0 C--N 1.323 -0.572 0 N-CA-C 109.331 -0.618 . . . . 0.0 109.331 175.964 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 47' ' ' ILE . . . . . 0.523 HD13 ' HB2' ' A' ' 85' ' ' ALA . 15.5 tt -65.94 -12.96 14.97 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.699 0 CA-C-O 121.367 0.603 . . . . 0.0 111.113 -176.921 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 86.7 mt-30 -89.49 -14.61 34.89 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 115.943 -0.572 . . . . 0.0 110.907 179.903 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 20.1 t70 -139.79 83.18 1.91 Allowed 'General case' 0 C--N 1.323 -0.545 0 CA-C-O 121.148 0.499 . . . . 0.0 110.62 -174.706 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 50' ' ' ILE . . . . . . . . . . . . . 77.3 mt -134.12 131.04 55.36 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 CA-C-N 115.493 -0.776 . . . . 0.0 109.867 177.307 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 39.1 mt-10 -76.88 138.94 65.68 Favored Pre-proline 0 C--N 1.324 -0.533 0 CA-C-N 116.461 -0.336 . . . . 0.0 110.498 179.759 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 52' ' ' PRO . . . . . 0.52 ' HB3' ' HB3' ' A' ' 98' ' ' ASP . 9.4 Cg_endo -54.21 -37.51 87.86 Favored 'Trans proline' 0 C--N 1.344 0.338 0 C-N-CA 122.78 2.32 . . . . 0.0 112.313 177.727 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 53' ' ' MET . . . . . . . . . . . . . 92.0 mmm -67.88 -30.1 69.37 Favored 'General case' 0 C--N 1.332 -0.187 0 CA-C-N 116.561 -0.291 . . . . 0.0 111.247 179.443 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 78.5 mt-30 -74.33 -36.77 63.69 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-O 120.978 0.418 . . . . 0.0 110.531 177.407 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 55' ' ' LEU . . . . . 0.662 HD23 ' HB2' ' A' ' 99' ' ' LEU . 19.9 tp -67.02 -36.38 81.99 Favored 'General case' 0 C--N 1.322 -0.625 0 N-CA-C 109.145 -0.687 . . . . 0.0 109.145 175.417 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 56' ' ' LEU . . . . . 0.499 HD22 ' O ' ' A' ' 56' ' ' LEU . 1.9 tm? -69.57 -34.47 74.22 Favored 'General case' 0 C--O 1.219 -0.533 0 CA-C-N 115.611 -0.722 . . . . 0.0 109.86 175.451 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 34.0 tt0 -61.26 -32.87 72.69 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.94 0.4 . . . . 0.0 110.262 177.668 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 58' ' ' VAL . . . . . 0.474 ' O ' ' HB3' ' A' ' 61' ' ' ARG . 75.8 t -64.54 -54.57 28.81 Favored 'Isoleucine or valine' 0 C--O 1.237 0.422 0 CA-C-O 121.336 0.589 . . . . 0.0 110.601 174.611 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 59' ' ' ILE . . . . . . . . . . . . . 1.7 mp -58.76 -41.59 82.96 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 CA-C-N 115.675 -0.693 . . . . 0.0 110.025 177.271 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 17.6 tpt180 -66.3 -30.26 70.64 Favored 'General case' 0 C--N 1.324 -0.524 0 CA-C-N 115.292 -0.867 . . . . 0.0 110.438 -179.516 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 61' ' ' ARG . . . . . 0.474 ' HB3' ' O ' ' A' ' 58' ' ' VAL . 8.7 tpt180 -59.37 -43.06 92.94 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 115.993 -0.549 . . . . 0.0 109.627 175.355 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 62' ' ' PHE . . . . . . . . . . . . . 77.0 m-85 -73.11 -27.8 61.9 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.043 -0.526 . . . . 0.0 111.467 177.102 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 30.7 mt-10 -70.89 -34.8 71.93 Favored 'General case' 0 C--N 1.327 -0.408 0 C-N-CA 121.088 -0.245 . . . . 0.0 110.712 175.698 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 13.6 t70 -62.33 -40.74 97.35 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 121.17 0.51 . . . . 0.0 109.705 173.213 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 30.2 ttm180 -65.1 -28.7 69.63 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 115.361 -0.836 . . . . 0.0 110.417 174.109 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 89.33 27.81 21.75 Favored Glycine 0 N--CA 1.447 -0.593 0 C-N-CA 120.999 -0.62 . . . . 0.0 112.198 178.114 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -111.42 94.35 4.93 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-O 120.745 0.307 . . . . 0.0 110.495 -179.127 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 68' ' ' MET . . . . . 0.532 ' HA ' ' CE ' ' A' ' 68' ' ' MET . 13.7 mmt -64.34 -51.28 64.16 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.11 -0.495 . . . . 0.0 111.413 -177.503 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 69' ' ' GLU . . . . . 0.456 ' O ' ' HG3' ' A' ' 73' ' ' LYS . 51.7 mt-10 -55.14 -48.28 73.91 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 115.675 -0.693 . . . . 0.0 110.68 179.796 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 25.5 ttm180 -73.57 -21.7 60.28 Favored 'General case' 0 C--N 1.322 -0.601 0 CA-C-N 115.546 -0.752 . . . . 0.0 111.359 -173.781 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -68.79 -45.77 70.43 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-O 120.929 0.395 . . . . 0.0 110.366 176.446 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 72' ' ' ASN . . . . . . . . . . . . . 86.2 m-20 -69.34 -31.58 70.12 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.74 178.006 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 73' ' ' LYS . . . . . 0.456 ' HG3' ' O ' ' A' ' 69' ' ' GLU . 99.3 mttt -68.29 -34.19 75.71 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.569 178.125 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -59.22 -52.65 64.75 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.871 0.367 . . . . 0.0 110.049 170.461 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 57.5 ttt180 -54.41 -50.69 67.0 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 115.235 -0.893 . . . . 0.0 111.713 -179.797 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 30.6 ttp180 -63.38 -36.11 82.62 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.359 -0.382 . . . . 0.0 111.118 -175.969 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 77' ' ' ARG . . . . . 0.509 ' O ' HG23 ' A' ' 81' ' ' VAL . 78.3 mtm180 -69.11 -51.11 41.84 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.45 -0.341 . . . . 0.0 110.576 178.527 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 78' ' ' CYS . . . . . . . . . . . . . 77.8 m -56.83 -45.19 82.51 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.827 0.346 . . . . 0.0 110.436 178.324 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . -60.46 -34.62 86.2 Favored Glycine 0 N--CA 1.45 -0.372 0 CA-C-N 115.997 -0.547 . . . . 0.0 112.63 178.304 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 30.0 tt0 -75.4 -32.87 60.9 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.747 0.274 . . . . 0.0 110.346 179.759 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 81' ' ' VAL . . . . . 0.509 HG23 ' O ' ' A' ' 77' ' ' ARG . 63.9 t -64.87 -41.88 93.35 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 N-CA-C 109.673 -0.492 . . . . 0.0 109.673 174.372 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 82' ' ' PHE . . . . . 0.581 ' HB3' ' HB3' ' A' ' 94' ' ' ASN . 43.9 m-85 -59.47 -45.43 91.65 Favored 'General case' 0 C--N 1.332 -0.162 0 CA-C-O 121.104 0.478 . . . . 0.0 110.261 173.177 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 83' ' ' ARG . . . . . 0.476 ' O ' HG23 ' A' ' 87' ' ' VAL . 79.6 ttt180 -59.14 -44.72 92.09 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 115.772 -0.649 . . . . 0.0 110.5 177.207 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 84' ' ' TYR . . . . . . . . . . . . . 48.7 t80 -58.41 -39.29 79.34 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 115.771 -0.649 . . . . 0.0 110.253 178.099 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 85' ' ' ALA . . . . . 0.523 ' HB2' HD13 ' A' ' 47' ' ' ILE . . . -68.19 -36.37 79.47 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 115.94 -0.573 . . . . 0.0 111.07 178.759 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 86' ' ' ILE . . . . . 0.432 HG13 ' O ' ' A' ' 82' ' ' PHE . 77.0 mt -62.72 -42.72 97.24 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 CA-C-O 120.944 0.402 . . . . 0.0 110.059 175.885 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 87' ' ' VAL . . . . . 0.476 HG23 ' O ' ' A' ' 83' ' ' ARG . 46.7 t -66.72 -37.35 79.32 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.392 0 CA-C-N 116.105 -0.498 . . . . 0.0 111.013 178.599 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 88' ' ' THR . . . . . 0.455 ' OG1' ' HA ' ' A' ' 85' ' ' ALA . 19.4 p -84.59 -0.22 52.48 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.538 -178.281 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . 72.53 17.72 78.05 Favored Glycine 0 C--N 1.331 0.297 0 C-N-CA 120.912 -0.661 . . . . 0.0 112.537 178.5 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 86.0 mtt180 -93.13 -9.87 37.94 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-O 120.877 0.37 . . . . 0.0 110.662 -179.343 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . -145.48 159.72 42.67 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.303 177.833 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 97.2 mttt -115.89 -40.03 3.39 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-O 121.004 0.43 . . . . 0.0 110.385 179.563 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 93' ' ' TYR . . . . . . . . . . . . . 77.0 t80 -133.79 139.49 46.34 Favored 'General case' 0 C--N 1.321 -0.648 0 CA-C-N 116.046 -0.525 . . . . 0.0 110.278 179.85 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 94' ' ' ASN . . . . . 0.581 ' HB3' ' HB3' ' A' ' 82' ' ' PHE . 20.2 p-10 -110.09 128.48 25.3 Favored Pre-proline 0 C--N 1.321 -0.661 0 CA-C-N 115.895 -0.593 . . . . 0.0 110.372 177.836 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 95' ' ' PRO . . . . . . . . . . . . . 60.3 Cg_endo -75.0 39.62 0.6 Allowed 'Trans proline' 0 CA--C 1.531 0.34 0 C-N-CA 122.993 2.462 . . . . 0.0 112.793 -179.767 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 96' ' ' ALA . . . . . 0.559 ' HB3' ' HD3' ' A' ' 97' ' ' PRO . . . -67.57 -47.03 47.18 Favored Pre-proline 0 C--N 1.326 -0.448 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.539 179.046 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 97' ' ' PRO . . . . . 0.559 ' HD3' ' HB3' ' A' ' 96' ' ' ALA . 25.0 Cg_exo -64.47 -34.71 52.5 Favored 'Trans proline' 0 C--N 1.358 1.029 0 C-N-CA 121.83 1.687 . . . . 0.0 111.479 173.471 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 98' ' ' ASP . . . . . 0.52 ' HB3' ' HB3' ' A' ' 52' ' ' PRO . 3.2 m-20 -60.93 -40.86 94.85 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 115.468 -0.787 . . . . 0.0 110.195 177.995 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 99' ' ' LEU . . . . . 0.662 ' HB2' HD23 ' A' ' 55' ' ' LEU . 3.2 tm? -57.54 -45.59 84.87 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 115.683 -0.689 . . . . 0.0 109.91 176.035 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 100' ' ' ALA . . . . . 0.581 ' O ' ' HG3' ' A' ' 104' ' ' LYS . . . -63.5 -47.46 81.64 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-N 115.832 -0.622 . . . . 0.0 110.73 -179.013 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 31.4 t70 -66.26 -38.49 87.96 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.359 -0.382 . . . . 0.0 111.152 -178.49 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -62.99 -42.53 99.87 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.443 -0.344 . . . . 0.0 110.628 177.719 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 103' ' ' MET . . . . . . . . . . . . . 45.9 ttm -56.72 -43.74 80.91 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 115.843 -0.617 . . . . 0.0 110.268 175.734 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 104' ' ' LYS . . . . . 0.581 ' HG3' ' O ' ' A' ' 100' ' ' ALA . 86.8 mttt -65.91 -43.16 88.96 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 115.767 -0.651 . . . . 0.0 110.625 178.643 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 105' ' ' GLY . . . . . . . . . . . . . . . -65.72 -30.67 77.79 Favored Glycine 0 N--CA 1.451 -0.35 0 CA-C-N 115.605 -0.725 . . . . 0.0 112.578 -179.78 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 106' ' ' TYR . . . . . . . . . . . . . 18.6 t80 -76.7 -34.41 58.18 Favored 'General case' 0 C--N 1.325 -0.495 0 N-CA-C 109.733 -0.469 . . . . 0.0 109.733 177.423 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 107' ' ' ARG . . . . . . . . . . . . . 53.7 ttp180 -62.39 -48.0 81.67 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 115.622 -0.717 . . . . 0.0 110.589 176.596 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 108' ' ' LYS . . . . . . . . . . . . . 62.6 tttp -130.27 85.93 2.34 Favored 'General case' 0 C--N 1.322 -0.603 0 CA-C-O 121.547 0.689 . . . . 0.0 109.511 -179.956 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 109' ' ' LYS . . . . . . . . . . . . . 21.1 pttm -71.18 130.21 40.89 Favored 'General case' 0 C--N 1.314 -0.969 0 CA-C-N 114.899 -1.046 . . . . 0.0 110.965 -179.738 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 110' ' ' ASN . . . . . . . . . . . . . 30.3 t30 -112.94 104.46 12.43 Favored 'General case' 0 C--N 1.321 -0.646 0 CA-C-N 115.702 -0.681 . . . . 0.0 109.295 176.472 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 111' ' ' LEU . . . . . . . . . . . . . 46.0 tp -70.17 126.53 29.95 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-N 115.819 -0.628 . . . . 0.0 111.185 -174.662 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 112' ' ' GLU . . . . . . . . . . . . . 8.7 tm-20 -57.25 -42.78 82.15 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 115.523 -0.762 . . . . 0.0 110.706 177.025 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 113' ' ' HIS . . . . . . . . . . . . . 1.3 m80 -84.06 80.52 9.14 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.822 176.847 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 114' ' ' HIS . . . . . . . . . . . . . 48.7 m80 -68.29 131.15 44.85 Favored 'General case' 0 C--N 1.325 -0.461 0 N-CA-C 109.772 -0.455 . . . . 0.0 109.772 177.413 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 115' ' ' HIS . . . . . . . . . . . . . 43.8 m80 -78.88 -21.73 47.03 Favored 'General case' 0 C--N 1.325 -0.483 0 N-CA-C 111.792 0.293 . . . . 0.0 111.792 -173.823 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 116' ' ' HIS . . . . . . . . . . . . . 36.3 m80 69.91 -73.41 0.09 Allowed 'General case' 0 N--CA 1.472 0.648 0 O-C-N 123.526 0.516 . . . . 0.0 110.294 -178.093 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 117' ' ' HIS . . . . . . . . . . . . . 22.9 m170 -125.92 -162.09 1.1 Allowed 'General case' 0 C--N 1.323 -0.574 0 CA-C-N 115.856 -0.611 . . . . 0.0 109.418 177.073 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 118' ' ' HIS . . . . . . . . . . . . . 86.5 m-70 . . . . . 0 C--O 1.251 1.136 0 CA-C-O 118.851 -0.595 . . . . 0.0 110.14 177.833 . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 68.8 m . . . . . 0 N--CA 1.476 0.853 0 CA-C-O 120.897 0.379 . . . . 0.0 110.641 . . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 11.7 p -73.21 144.56 46.73 Favored 'General case' 0 N--CA 1.447 -0.585 0 CA-C-N 116.31 -0.405 . . . . 0.0 110.66 177.628 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 3' ' ' ASN . . . . . . . . . . . . . 93.7 m-20 -84.96 -4.29 59.08 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-O 121.617 0.722 . . . . 0.0 109.299 176.324 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 4' ' ' ASN . . . . . . . . . . . . . 52.3 t-20 -113.44 106.71 14.9 Favored 'General case' 0 C--N 1.322 -0.608 0 CA-C-N 114.838 -1.074 . . . . 0.0 108.301 173.242 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 5' ' ' ASN . . . . . 0.445 ' OD1' ' HD2' ' A' ' 90' ' ' ARG . 93.3 m-20 -98.33 27.53 4.64 Favored 'General case' 0 C--N 1.324 -0.53 0 CA-C-N 116.442 -0.344 . . . . 0.0 111.834 -174.055 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 41.1 m -69.02 151.53 46.37 Favored 'General case' 0 C--O 1.237 0.416 0 N-CA-C 110.082 -0.34 . . . . 0.0 110.082 175.306 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 7' ' ' PHE . . . . . . . . . . . . . 64.1 t80 -56.31 -44.91 80.37 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 115.903 -0.589 . . . . 0.0 111.208 -177.085 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 25.2 p -60.49 -40.0 89.73 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 120.684 0.278 . . . . 0.0 111.737 -177.437 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -61.95 -49.48 75.96 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-O 121.221 0.534 . . . . 0.0 110.887 -179.188 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 10' ' ' ILE . . . . . 0.654 HG23 HH21 ' A' ' 90' ' ' ARG . 68.2 mt -69.77 -37.19 73.0 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 CA-C-N 115.665 -0.698 . . . . 0.0 110.248 179.428 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 1.0 OUTLIER -55.28 -44.99 76.17 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 115.655 -0.702 . . . . 0.0 111.069 176.13 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 60.6 tttm -66.77 -40.39 88.21 Favored 'General case' 0 C--N 1.33 -0.261 0 C-N-CA 120.593 -0.443 . . . . 0.0 111.177 179.803 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 40.5 tt0 -62.63 -48.26 80.13 Favored 'General case' 0 C--O 1.234 0.253 0 CA-C-O 121.113 0.482 . . . . 0.0 110.069 178.849 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 14' ' ' TRP . . . . . 0.457 ' CZ2' ' HG3' ' A' ' 77' ' ' ARG . 54.3 t90 -61.69 -49.0 78.27 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 115.602 -0.726 . . . . 0.0 110.452 176.934 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 15' ' ' TYR . . . . . 0.518 ' CE1' ' HB2' ' A' ' 31' ' ' ALA . 22.3 t80 -57.85 -52.81 63.94 Favored 'General case' 0 C--O 1.223 -0.291 0 CA-C-N 116.39 -0.368 . . . . 0.0 111.592 -178.801 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 41.1 tt0 -61.26 -32.52 72.34 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-O 120.917 0.389 . . . . 0.0 110.931 -175.541 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 17' ' ' HIS . . . . . . . . . . . . . 1.5 t-80 -77.74 -42.48 34.05 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.242 178.473 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 35.5 tptt -75.79 -19.34 59.06 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-O 121.219 0.533 . . . . 0.0 110.528 -177.022 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 41.4 tttm -63.41 -18.88 64.18 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 115.658 -0.701 . . . . 0.0 110.74 176.697 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 80.5 mt-30 -74.38 -16.13 60.9 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.064 -0.517 . . . . 0.0 110.319 176.978 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 40.6 t -95.99 -43.51 12.7 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.437 0 CA-C-N 116.045 -0.525 . . . . 0.0 111.076 -175.67 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 22' ' ' TRP . . . . . . . . . . . . . 12.3 m0 -89.23 170.33 10.69 Favored 'General case' 0 C--N 1.321 -0.634 0 CA-C-N 116.065 -0.516 . . . . 0.0 111.11 -176.889 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 6.4 m -73.24 142.18 47.27 Favored 'General case' 0 C--N 1.324 -0.541 0 N-CA-C 108.994 -0.743 . . . . 0.0 108.994 174.626 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 12.6 p -53.41 -38.08 31.47 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.368 0 N-CA-C 111.974 0.361 . . . . 0.0 111.974 -175.209 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -66.53 -48.95 59.42 Favored Glycine 0 N--CA 1.449 -0.482 0 C-N-CA 120.664 -0.779 . . . . 0.0 112.098 178.723 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 26' ' ' TYR . . . . . . . . . . . . . 66.7 t80 -63.93 -39.25 93.73 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.861 0.362 . . . . 0.0 110.155 179.658 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -62.74 -41.38 99.16 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 115.854 -0.612 . . . . 0.0 110.635 178.464 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 59.6 m -62.88 -47.0 85.23 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.42 -0.355 . . . . 0.0 110.606 178.028 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 27.9 mt-10 -65.81 -42.14 91.01 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.406 -0.361 . . . . 0.0 111.327 -178.947 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 10.3 tt -63.28 -41.52 99.01 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.455 -0.339 . . . . 0.0 110.359 179.667 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 31' ' ' ALA . . . . . 0.518 ' HB2' ' CE1' ' A' ' 15' ' ' TYR . . . -65.56 -48.67 71.6 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.447 -0.342 . . . . 0.0 110.546 177.985 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 86.3 tttt -56.36 -35.62 67.89 Favored 'General case' 0 C--N 1.332 -0.192 0 CA-C-N 116.319 -0.401 . . . . 0.0 110.511 178.681 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 33' ' ' MET . . . . . . . . . . . . . 54.9 ttp -63.34 -52.93 59.77 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 115.937 -0.574 . . . . 0.0 110.797 177.314 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 34' ' ' PHE . . . . . 0.619 ' CD2' HD12 ' A' ' 38' ' ' ILE . 8.3 m-85 -62.72 -38.07 89.01 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-O 121.041 0.448 . . . . 0.0 110.838 178.955 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 35' ' ' ASP . . . . . 0.681 ' HA ' ' HG ' ' A' ' 39' ' ' LEU . 10.8 t70 -62.93 -59.45 4.82 Favored 'General case' 0 C--N 1.32 -0.675 0 CA-C-N 115.828 -0.624 . . . . 0.0 111.075 178.474 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 38.4 t70 -66.93 -33.08 74.8 Favored 'General case' 0 C--N 1.327 -0.373 0 N-CA-C 112.81 0.67 . . . . 0.0 112.81 -168.832 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 7.2 m-20 -100.46 -51.15 3.7 Favored 'General case' 0 C--N 1.325 -0.491 0 N-CA-C 112.164 0.431 . . . . 0.0 112.164 -177.331 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 38' ' ' ILE . . . . . 0.619 HD12 ' CD2' ' A' ' 34' ' ' PHE . 11.5 mt -80.71 -34.5 14.2 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.581 0 N-CA-C 112.507 0.558 . . . . 0.0 112.507 -169.598 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 39' ' ' LEU . . . . . 0.681 ' HG ' ' HA ' ' A' ' 35' ' ' ASP . 21.5 mt -67.87 -41.58 29.2 Favored Pre-proline 0 CA--C 1.54 0.588 0 N-CA-C 112.837 0.68 . . . . 0.0 112.837 -176.367 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 40' ' ' PRO . . . . . 0.486 ' HD3' ' O ' ' A' ' 35' ' ' ASP . 31.3 Cg_exo -62.42 -13.95 36.07 Favored 'Trans proline' 0 C--N 1.354 0.831 0 C-N-CA 121.834 1.689 . . . . 0.0 112.716 174.217 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 41' ' ' ILE . . . . . 0.603 HG22 HG23 ' A' ' 42' ' ' ILE . 46.1 mm -96.85 -56.77 4.92 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.582 -0.281 . . . . 0.0 111.056 -179.606 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 42' ' ' ILE . . . . . 0.603 HG23 HG22 ' A' ' 41' ' ' ILE . 17.0 pt -131.88 12.99 1.75 Allowed 'Isoleucine or valine' 0 N--CA 1.467 0.402 0 N-CA-C 112.608 0.596 . . . . 0.0 112.608 -175.042 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -54.88 -49.96 60.21 Favored Glycine 0 CA--C 1.517 0.177 0 C-N-CA 120.922 -0.656 . . . . 0.0 113.51 -173.888 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -91.78 19.37 48.82 Favored Glycine 0 N--CA 1.447 -0.592 0 C-N-CA 120.702 -0.761 . . . . 0.0 113.024 -177.417 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 45' ' ' LEU . . . . . 0.495 HD12 ' HA ' ' A' ' 42' ' ' ILE . 96.9 mt -100.85 141.87 33.12 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 117.358 0.579 . . . . 0.0 110.625 179.151 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 46' ' ' GLU . . . . . 0.595 ' O ' HG13 ' A' ' 50' ' ' ILE . 45.9 mt-10 -57.05 129.03 39.96 Favored 'General case' 0 CA--C 1.514 -0.418 0 CA-C-N 116.182 -0.463 . . . . 0.0 109.784 174.259 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 47' ' ' ILE . . . . . 0.546 HD11 ' HA ' ' A' ' 82' ' ' PHE . 19.2 tt -55.35 -33.4 31.27 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.599 0 O-C-N 123.604 0.565 . . . . 0.0 112.338 -173.558 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 49.9 tt0 -89.12 -13.75 37.8 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 121.037 0.446 . . . . 0.0 110.916 -179.397 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 7.9 t70 -103.56 5.48 36.71 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-O 121.31 0.576 . . . . 0.0 110.63 -174.686 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 50' ' ' ILE . . . . . 0.595 HG13 ' O ' ' A' ' 46' ' ' GLU . 96.9 mt -73.41 135.3 27.91 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 CA-C-N 115.644 -0.707 . . . . 0.0 110.39 178.066 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 35.8 mt-10 -76.17 145.52 76.9 Favored Pre-proline 0 C--N 1.325 -0.469 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.89 -179.931 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 52' ' ' PRO . . . . . . . . . . . . . 38.9 Cg_exo -57.6 -35.27 98.87 Favored 'Trans proline' 0 N--CA 1.464 -0.236 0 C-N-CA 122.3 2.0 . . . . 0.0 110.908 172.392 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 53' ' ' MET . . . . . . . . . . . . . 50.7 ttm -67.39 -32.62 73.65 Favored 'General case' 0 C--N 1.331 -0.198 0 CA-C-N 115.618 -0.719 . . . . 0.0 110.702 177.606 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 94.0 mt-30 -74.27 -39.73 62.79 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.32 -0.4 . . . . 0.0 110.822 179.752 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 55' ' ' LEU . . . . . 0.423 ' O ' ' HB ' ' A' ' 58' ' ' VAL . 16.4 tp -68.67 -33.5 74.08 Favored 'General case' 0 C--N 1.322 -0.593 0 N-CA-C 109.516 -0.55 . . . . 0.0 109.516 177.615 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 2.3 tm? -68.84 -36.33 78.04 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 115.875 -0.602 . . . . 0.0 109.514 174.007 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 7.7 tp10 -60.9 -38.42 85.64 Favored 'General case' 0 C--N 1.329 -0.303 0 N-CA-C 109.738 -0.467 . . . . 0.0 109.738 175.1 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 58' ' ' VAL . . . . . 0.55 HG13 HG12 ' A' ' 38' ' ' ILE . 54.0 t -60.56 -54.4 35.7 Favored 'Isoleucine or valine' 0 C--O 1.239 0.5 0 CA-C-O 121.464 0.649 . . . . 0.0 110.607 174.313 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 59' ' ' ILE . . . . . . . . . . . . . 1.6 mp -57.58 -39.88 71.98 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.41 0 CA-C-N 115.572 -0.74 . . . . 0.0 110.614 178.894 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 60' ' ' ARG . . . . . 0.602 ' HA ' ' HB3' ' A' ' 63' ' ' GLU . 18.9 mtp85 -76.57 -21.06 56.15 Favored 'General case' 0 C--N 1.328 -0.342 0 N-CA-C 111.89 0.33 . . . . 0.0 111.89 -179.508 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 6.8 tpt85 -61.25 -35.88 78.47 Favored 'General case' 0 C--N 1.327 -0.387 0 N-CA-C 108.914 -0.773 . . . . 0.0 108.914 172.93 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 62' ' ' PHE . . . . . . . . . . . . . 96.3 m-85 -82.04 -39.0 24.15 Favored 'General case' 0 C--O 1.236 0.351 0 CA-C-N 115.518 -0.764 . . . . 0.0 111.407 173.09 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 63' ' ' GLU . . . . . 0.602 ' HB3' ' HA ' ' A' ' 60' ' ' ARG . 29.6 tt0 -56.03 -43.97 78.29 Favored 'General case' 0 N--CA 1.467 0.399 0 CA-C-N 116.111 -0.495 . . . . 0.0 111.98 -177.366 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 20.3 t70 -59.3 -29.11 67.38 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.001 -0.545 . . . . 0.0 111.635 -174.213 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 75.3 mtm-85 -91.52 1.82 56.87 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.751 0.31 . . . . 0.0 111.334 -179.607 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 81.97 9.75 84.9 Favored Glycine 0 N--CA 1.452 -0.289 0 C-N-CA 120.767 -0.73 . . . . 0.0 112.413 179.008 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -82.4 71.63 9.47 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-O 120.951 0.405 . . . . 0.0 110.49 -179.383 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 68' ' ' MET . . . . . 0.548 ' HA ' ' CE ' ' A' ' 68' ' ' MET . 8.8 mmt -60.33 -41.32 93.29 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 115.804 -0.634 . . . . 0.0 111.005 -178.93 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 10.2 tt0 -57.87 -49.97 74.91 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.065 -0.516 . . . . 0.0 110.503 -179.826 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 70' ' ' ARG . . . . . 0.505 ' HD2' ' N ' ' A' ' 70' ' ' ARG . 1.5 mpt_? -72.83 -26.53 61.52 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-N 115.865 -0.607 . . . . 0.0 111.095 -175.117 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -67.46 -41.55 84.48 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-O 121.097 0.475 . . . . 0.0 110.24 175.132 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 72' ' ' ASN . . . . . . . . . . . . . 44.1 m-80 -75.03 -37.57 61.69 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.048 -0.524 . . . . 0.0 110.696 178.193 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 87.3 mttt -61.05 -44.57 97.2 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.506 -0.316 . . . . 0.0 110.519 175.463 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -59.8 -45.07 93.47 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.305 -0.407 . . . . 0.0 110.175 176.34 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 76.4 ttt180 -56.81 -50.46 72.3 Favored 'General case' 0 CA--C 1.533 0.297 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.253 177.584 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 76' ' ' ARG . . . . . 0.424 HH11 ' HD3' ' A' ' 76' ' ' ARG . 50.1 mtt180 -61.63 -47.17 86.63 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 121.053 0.454 . . . . 0.0 111.317 179.311 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 77' ' ' ARG . . . . . 0.457 ' HG3' ' CZ2' ' A' ' 14' ' ' TRP . 0.0 OUTLIER -74.77 -37.31 62.47 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-N 115.788 -0.642 . . . . 0.0 112.144 -172.171 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 78' ' ' CYS . . . . . . . . . . . . . 28.2 p -65.02 -46.27 82.03 Favored 'General case' 0 C--N 1.33 -0.26 0 C-N-CA 120.279 -0.568 . . . . 0.0 109.839 179.677 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . -56.65 -35.64 68.07 Favored Glycine 0 C--N 1.334 0.453 0 C-N-CA 120.769 -0.729 . . . . 0.0 111.741 175.622 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 35.6 tt0 -66.55 -45.46 79.3 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 115.734 -0.233 . . . . 0.0 110.649 177.285 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 81' ' ' VAL . . . . . 0.444 HG23 ' O ' ' A' ' 77' ' ' ARG . 87.2 t -63.14 -44.04 99.2 Favored 'Isoleucine or valine' 0 C--O 1.235 0.302 0 CA-C-O 120.844 0.354 . . . . 0.0 110.522 177.811 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 82' ' ' PHE . . . . . 0.546 ' HA ' HD11 ' A' ' 47' ' ' ILE . 5.7 m-85 -57.79 -48.03 80.86 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.495 176.621 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 83' ' ' ARG . . . . . 0.485 ' O ' HG23 ' A' ' 87' ' ' VAL . 42.2 ttm180 -65.83 -35.77 81.61 Favored 'General case' 0 C--N 1.323 -0.554 0 CA-C-N 115.891 -0.595 . . . . 0.0 110.757 179.17 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 84' ' ' TYR . . . . . . . . . . . . . 36.7 t80 -59.08 -40.7 86.08 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 115.923 -0.58 . . . . 0.0 110.069 178.151 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 85' ' ' ALA . . . . . 0.426 ' HA ' HG22 ' A' ' 88' ' ' THR . . . -71.01 -26.68 63.22 Favored 'General case' 0 N--CA 1.453 -0.31 0 CA-C-N 115.575 -0.739 . . . . 0.0 110.864 178.259 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 86' ' ' ILE . . . . . 0.654 ' HA ' ' O ' ' A' ' 91' ' ' ALA . 73.4 mt -71.55 -41.65 72.23 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.38 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.365 176.243 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 87' ' ' VAL . . . . . 0.485 HG23 ' O ' ' A' ' 83' ' ' ARG . 66.1 t -61.51 -39.92 84.66 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 115.921 -0.581 . . . . 0.0 110.973 179.24 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 88' ' ' THR . . . . . 0.513 HG23 ' HG2' ' A' ' 90' ' ' ARG . 10.1 t -84.08 -5.94 59.32 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-O 120.88 0.371 . . . . 0.0 111.101 179.391 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . 86.08 14.83 66.06 Favored Glycine 0 CA--C 1.521 0.445 0 N-CA-C 114.955 0.742 . . . . 0.0 114.955 170.344 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 90' ' ' ARG . . . . . 0.654 HH21 HG23 ' A' ' 10' ' ' ILE . 16.2 ptt-85 -105.24 7.3 33.5 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 118.165 0.983 . . . . 0.0 110.741 178.177 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 91' ' ' ALA . . . . . 0.654 ' O ' ' HA ' ' A' ' 86' ' ' ILE . . . -146.06 146.8 31.07 Favored 'General case' 0 C--N 1.322 -0.627 0 N-CA-C 108.255 -1.017 . . . . 0.0 108.255 170.319 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 81.9 tttt -127.66 -6.84 5.69 Favored 'General case' 0 C--N 1.321 -0.639 0 C-N-CA 120.39 -0.524 . . . . 0.0 111.527 -179.288 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 93' ' ' TYR . . . . . . . . . . . . . 78.0 t80 -144.1 127.22 16.56 Favored 'General case' 0 C--N 1.322 -0.595 0 CA-C-O 120.857 0.36 . . . . 0.0 110.755 -179.62 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 94' ' ' ASN . . . . . 0.452 ' HB3' ' HB3' ' A' ' 82' ' ' PHE . 14.6 p-10 -114.12 117.96 42.87 Favored Pre-proline 0 C--N 1.32 -0.716 0 CA-C-N 115.745 -0.661 . . . . 0.0 109.504 174.23 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 95' ' ' PRO . . . . . 0.468 ' HD2' ' CD2' ' A' ' 82' ' ' PHE . 56.5 Cg_endo -70.8 43.8 0.47 Allowed 'Trans proline' 0 CA--C 1.529 0.253 0 C-N-CA 123.133 2.556 . . . . 0.0 112.404 179.717 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 96' ' ' ALA . . . . . 0.499 ' N ' ' HD2' ' A' ' 97' ' ' PRO . . . -67.64 -48.97 41.91 Favored Pre-proline 0 C--N 1.324 -0.514 0 CA-C-N 116.091 -0.504 . . . . 0.0 111.46 -179.653 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 97' ' ' PRO . . . . . 0.499 ' HD2' ' N ' ' A' ' 96' ' ' ALA . 25.8 Cg_endo -63.65 -33.77 65.59 Favored 'Trans proline' 0 C--N 1.358 1.029 0 C-N-CA 121.584 1.523 . . . . 0.0 111.283 174.115 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 5.1 m-20 -62.88 -45.14 93.96 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 115.652 -0.704 . . . . 0.0 110.294 177.767 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 99' ' ' LEU . . . . . . . . . . . . . 3.3 tm? -56.86 -39.8 74.98 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 115.666 -0.697 . . . . 0.0 110.228 177.649 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 100' ' ' ALA . . . . . . . . . . . . . . . -64.29 -44.76 90.66 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 115.869 -0.605 . . . . 0.0 111.144 -179.645 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 32.4 m-20 -73.19 -31.85 64.45 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.306 -0.406 . . . . 0.0 110.835 179.674 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -65.01 -50.34 66.65 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 116.387 -0.37 . . . . 0.0 110.683 177.13 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 103' ' ' MET . . . . . . . . . . . . . 45.6 ttm -57.94 -35.18 70.75 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-O 121.287 0.565 . . . . 0.0 110.709 177.807 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 104' ' ' LYS . . . . . . . . . . . . . 86.8 tttt -73.96 -49.97 22.12 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-N 115.717 -0.674 . . . . 0.0 111.2 179.838 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 105' ' ' GLY . . . . . . . . . . . . . . . -75.46 -30.17 58.79 Favored Glycine 0 N--CA 1.451 -0.329 0 CA-C-N 115.947 -0.57 . . . . 0.0 113.528 -174.288 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 106' ' ' TYR . . . . . . . . . . . . . 23.8 t80 -69.54 -31.68 70.04 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-O 120.982 0.42 . . . . 0.0 110.493 -177.793 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 107' ' ' ARG . . . . . . . . . . . . . 93.0 mtt180 -81.41 12.54 3.57 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.27 -0.423 . . . . 0.0 111.208 -179.553 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 108' ' ' LYS . . . . . . . . . . . . . 2.7 ttpm? -88.16 -5.55 58.36 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-O 121.632 0.729 . . . . 0.0 109.249 173.82 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 109' ' ' LYS . . . . . . . . . . . . . 65.8 mttp -99.08 157.2 16.51 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 115.452 -0.795 . . . . 0.0 109.831 173.071 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 110' ' ' ASN . . . . . . . . . . . . . 90.6 m-20 -106.43 -1.68 22.93 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-O 121.339 0.59 . . . . 0.0 110.041 178.78 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 111' ' ' LEU . . . . . . . . . . . . . 28.9 tp -141.67 134.79 29.16 Favored 'General case' 0 C--N 1.322 -0.625 0 CA-C-N 115.531 -0.759 . . . . 0.0 109.276 179.216 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 112' ' ' GLU . . . . . . . . . . . . . 34.4 tt0 -53.37 -41.23 65.67 Favored 'General case' 0 N--CA 1.466 0.343 0 O-C-N 123.629 0.58 . . . . 0.0 111.486 -177.637 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 113' ' ' HIS . . . . . . . . . . . . . 86.1 m-70 -121.53 174.69 6.62 Favored 'General case' 0 C--N 1.326 -0.455 0 N-CA-C 109.376 -0.601 . . . . 0.0 109.376 179.176 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 114' ' ' HIS . . . . . . . . . . . . . 21.0 m-70 -80.82 -44.7 18.07 Favored 'General case' 0 C--N 1.323 -0.583 0 C-N-CA 120.878 -0.329 . . . . 0.0 110.167 -179.707 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 115' ' ' HIS . . . . . . . . . . . . . 58.6 m80 65.67 16.69 10.61 Favored 'General case' 0 N--CA 1.467 0.42 0 CA-C-N 115.617 -0.72 . . . . 0.0 111.707 -179.052 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 116' ' ' HIS . . . . . . . . . . . . . 76.4 m80 -112.89 116.18 29.61 Favored 'General case' 0 C--N 1.325 -0.49 0 N-CA-C 108.434 -0.95 . . . . 0.0 108.434 172.288 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 117' ' ' HIS . . . . . . . . . . . . . 68.5 m80 -118.32 95.4 4.86 Favored 'General case' 0 C--N 1.32 -0.705 0 CA-C-O 121.065 0.46 . . . . 0.0 111.869 -172.782 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 118' ' ' HIS . . . . . . . . . . . . . 76.6 t60 . . . . . 0 C--O 1.248 0.991 0 CA-C-N 115.508 -0.769 . . . . 0.0 109.558 175.759 . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 25.7 m . . . . . 0 N--CA 1.474 0.729 0 CA-C-O 121.07 0.462 . . . . 0.0 110.319 . . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 13.1 m -86.23 -36.1 19.62 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 116.01 -0.541 . . . . 0.0 110.48 -178.642 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 3' ' ' ASN . . . . . . . . . . . . . 84.9 m-20 -123.89 143.39 50.39 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 115.89 -0.595 . . . . 0.0 110.364 -179.401 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 4' ' ' ASN . . . . . . . . . . . . . 46.6 t-20 -128.48 137.55 51.85 Favored 'General case' 0 C--N 1.319 -0.736 0 N-CA-C 108.59 -0.892 . . . . 0.0 108.59 178.006 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 93.4 m-20 -85.54 18.79 2.62 Favored 'General case' 0 C--N 1.326 -0.444 0 N-CA-C 111.8 0.296 . . . . 0.0 111.8 -174.762 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 6' ' ' SER . . . . . 0.438 ' HA ' ' HA ' ' A' ' 46' ' ' GLU . 67.2 p -64.84 141.34 58.81 Favored 'General case' 0 C--N 1.327 -0.406 0 N-CA-C 109.794 -0.447 . . . . 0.0 109.794 176.413 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 7' ' ' PHE . . . . . 0.493 ' O ' ' HB3' ' A' ' 11' ' ' TYR . 35.0 t80 -60.13 -32.99 71.53 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.424 -177.946 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 8' ' ' SER . . . . . 0.512 ' O ' ' HD1' ' A' ' 11' ' ' TYR . 13.4 p -56.02 -46.74 78.69 Favored 'General case' 0 C--O 1.237 0.435 0 CA-C-O 121.493 0.663 . . . . 0.0 110.963 176.359 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -60.36 -53.05 62.19 Favored 'General case' 0 C--N 1.323 -0.548 0 CA-C-N 115.529 -0.76 . . . . 0.0 110.463 -179.564 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 10' ' ' ILE . . . . . 0.76 HG12 HH11 ' A' ' 90' ' ' ARG . 25.2 mt -70.61 -33.03 51.52 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.581 0 CA-C-N 115.544 -0.753 . . . . 0.0 111.605 -174.512 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 11' ' ' TYR . . . . . 0.512 ' HD1' ' O ' ' A' ' 8' ' ' SER . 0.0 OUTLIER -62.59 -38.58 90.71 Favored 'General case' 0 C--N 1.332 -0.179 0 C-N-CA 121.219 -0.193 . . . . 0.0 110.652 -179.369 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 47.5 tttm -77.48 -39.93 44.73 Favored 'General case' 0 C--N 1.33 -0.241 0 C-N-CA 120.246 -0.582 . . . . 0.0 110.907 179.484 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 44.6 mt-10 -61.96 -42.8 99.53 Favored 'General case' 0 C--O 1.234 0.284 0 CA-C-O 120.807 0.337 . . . . 0.0 110.375 177.539 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 14' ' ' TRP . . . . . . . . . . . . . 52.1 t90 -61.81 -50.69 71.31 Favored 'General case' 0 C--O 1.236 0.365 0 CA-C-N 115.92 -0.582 . . . . 0.0 110.657 176.163 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 15' ' ' TYR . . . . . 0.497 ' O ' ' HB2' ' A' ' 19' ' ' LYS . 26.4 t80 -56.25 -56.79 16.72 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.062 -0.517 . . . . 0.0 111.299 -179.593 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 41.8 mt-10 -68.1 -15.81 63.75 Favored 'General case' 0 C--N 1.328 -0.346 0 N-CA-C 111.782 0.29 . . . . 0.0 111.782 -174.959 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 17' ' ' HIS . . . . . . . . . . . . . 35.3 t60 -77.85 -60.29 2.43 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-O 120.927 0.394 . . . . 0.0 110.183 174.133 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 70.7 tttt -78.27 -0.33 28.3 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 121.498 0.666 . . . . 0.0 110.31 -175.374 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 19' ' ' LYS . . . . . 0.497 ' HB2' ' O ' ' A' ' 15' ' ' TYR . 81.3 tttt -61.03 -24.87 66.51 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 115.044 -0.98 . . . . 0.0 110.226 174.302 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 85.0 mm-40 -75.57 -10.47 59.47 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 115.675 -0.693 . . . . 0.0 111.09 179.503 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 61.5 t -97.9 -50.23 11.32 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.397 0 CA-C-N 116.372 -0.376 . . . . 0.0 111.174 -176.737 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 22' ' ' TRP . . . . . . . . . . . . . 11.1 m0 -84.33 155.32 22.42 Favored 'General case' 0 C--N 1.323 -0.558 0 CA-C-N 116.398 -0.365 . . . . 0.0 110.908 -177.377 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 26.3 m -63.31 139.38 58.76 Favored 'General case' 0 C--N 1.327 -0.391 0 N-CA-C 109.507 -0.553 . . . . 0.0 109.507 173.736 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 13.4 p -49.85 -37.99 13.34 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.398 0 N-CA-C 112.204 0.446 . . . . 0.0 112.204 -175.468 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -62.45 -56.74 19.93 Favored Glycine 0 N--CA 1.45 -0.412 0 C-N-CA 120.777 -0.725 . . . . 0.0 112.193 179.153 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 26' ' ' TYR . . . . . . . . . . . . . 77.6 t80 -65.23 -37.67 87.99 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.487 0.184 . . . . 0.0 110.724 -179.309 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -59.92 -47.42 85.83 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.344 -0.389 . . . . 0.0 110.841 179.801 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 23.6 m -67.96 -41.64 82.14 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.328 -0.397 . . . . 0.0 111.182 -178.952 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 44.7 mt-10 -67.73 -36.35 80.42 Favored 'General case' 0 C--O 1.235 0.291 0 CA-C-O 120.727 0.299 . . . . 0.0 110.907 178.764 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 9.3 tt -62.48 -44.08 97.26 Favored 'General case' 0 C--O 1.234 0.279 0 N-CA-C 109.648 -0.501 . . . . 0.0 109.648 174.949 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -64.88 -39.36 93.41 Favored 'General case' 0 N--CA 1.453 -0.324 0 CA-C-N 115.654 -0.703 . . . . 0.0 110.604 177.926 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 65.3 tttm -60.02 -50.07 75.17 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.505 -0.316 . . . . 0.0 110.937 179.367 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 33' ' ' MET . . . . . . . . . . . . . 59.3 ttp -61.58 -41.01 96.8 Favored 'General case' 0 C--O 1.234 0.276 0 CA-C-O 121.346 0.593 . . . . 0.0 110.257 178.475 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 34' ' ' PHE . . . . . 0.531 ' O ' ' HB ' ' A' ' 38' ' ' ILE . 35.3 t80 -64.4 -49.27 72.23 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 115.459 -0.791 . . . . 0.0 110.38 -179.799 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 35' ' ' ASP . . . . . 0.54 ' HA ' ' HB2' ' A' ' 39' ' ' LEU . 10.9 t70 -71.64 -49.34 40.97 Favored 'General case' 0 C--N 1.32 -0.683 0 CA-C-N 116.426 -0.352 . . . . 0.0 111.595 -177.002 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 32.6 t70 -61.82 -36.7 81.93 Favored 'General case' 0 C--N 1.32 -0.688 0 N-CA-C 111.949 0.351 . . . . 0.0 111.949 -172.602 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 4.3 m-20 -100.8 -48.04 4.61 Favored 'General case' 0 C--N 1.329 -0.297 0 N-CA-C 112.576 0.584 . . . . 0.0 112.576 -178.684 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 38' ' ' ILE . . . . . 0.576 HG12 HG13 ' A' ' 58' ' ' VAL . 19.5 mt -80.21 -34.56 15.0 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.401 0 N-CA-C 112.085 0.402 . . . . 0.0 112.085 -170.609 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 39' ' ' LEU . . . . . 0.54 ' HB2' ' HA ' ' A' ' 35' ' ' ASP . 0.4 OUTLIER -63.06 -47.9 85.21 Favored Pre-proline 0 CA--C 1.544 0.712 0 CA-C-O 119.598 -0.239 . . . . 0.0 111.62 -175.56 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 40' ' ' PRO . . . . . 0.528 ' HD3' ' O ' ' A' ' 35' ' ' ASP . 27.7 Cg_exo -64.46 -11.41 28.3 Favored 'Trans proline' 0 C--N 1.355 0.879 0 C-N-CA 121.802 1.668 . . . . 0.0 113.032 177.768 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 41' ' ' ILE . . . . . 0.667 HG22 HG23 ' A' ' 42' ' ' ILE . 48.2 mm -91.78 -57.32 4.38 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.245 0 CA-C-O 120.532 0.206 . . . . 0.0 111.002 -179.254 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 42' ' ' ILE . . . . . 0.667 HG23 HG22 ' A' ' 41' ' ' ILE . 13.5 pt -129.3 5.24 2.6 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.199 0 N-CA-C 112.38 0.511 . . . . 0.0 112.38 -175.419 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 43' ' ' GLY . . . . . 0.496 ' HA3' HD22 ' A' ' 39' ' ' LEU . . . -60.46 -37.73 93.71 Favored Glycine 0 N--CA 1.451 -0.349 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.802 -174.993 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -86.3 5.07 85.32 Favored Glycine 0 N--CA 1.444 -0.787 0 C-N-CA 120.538 -0.839 . . . . 0.0 112.832 -179.746 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 91.0 mt -96.26 146.56 24.61 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 117.142 0.471 . . . . 0.0 110.621 -177.917 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 46' ' ' GLU . . . . . 0.631 ' O ' HG13 ' A' ' 50' ' ' ILE . 41.7 mt-10 -67.5 138.69 56.76 Favored 'General case' 0 C--N 1.327 -0.409 0 N-CA-C 109.228 -0.656 . . . . 0.0 109.228 175.512 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 47' ' ' ILE . . . . . 0.426 HD13 ' HB2' ' A' ' 85' ' ' ALA . 15.5 tt -64.39 -19.15 24.44 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.63 0 CA-C-O 120.98 0.419 . . . . 0.0 111.356 -176.366 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 61.5 mt-30 -89.42 -10.98 44.46 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-O 120.998 0.428 . . . . 0.0 110.353 176.905 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 3.6 t70 -122.38 14.84 10.43 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 116.047 -0.524 . . . . 0.0 110.93 -168.177 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 50' ' ' ILE . . . . . 0.631 HG13 ' O ' ' A' ' 46' ' ' GLU . 85.0 mt -82.79 125.44 39.98 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.417 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.925 -179.139 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 51' ' ' GLU . . . . . 1.002 ' HB2' ' HB2' ' A' ' 54' ' ' GLN . 12.6 mm-40 -66.28 132.69 94.43 Favored Pre-proline 0 C--N 1.323 -0.582 0 CA-C-N 115.362 -0.835 . . . . 0.0 109.969 177.491 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 52' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_exo -54.84 -39.4 90.23 Favored 'Trans proline' 0 N--CA 1.464 -0.252 0 C-N-CA 122.323 2.015 . . . . 0.0 111.649 171.683 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 53' ' ' MET . . . . . . . . . . . . . 68.3 mtm -73.53 -22.34 60.13 Favored 'General case' 0 C--O 1.226 -0.15 0 CA-C-O 120.681 0.277 . . . . 0.0 110.979 176.288 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 54' ' ' GLN . . . . . 1.002 ' HB2' ' HB2' ' A' ' 51' ' ' GLU . 32.7 tp60 -76.19 -40.98 51.01 Favored 'General case' 0 C--N 1.326 -0.449 0 N-CA-C 108.844 -0.799 . . . . 0.0 108.844 176.699 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 55' ' ' LEU . . . . . 0.436 ' O ' ' HB ' ' A' ' 58' ' ' VAL . 34.4 tp -65.78 -33.49 75.98 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-N 115.301 -0.863 . . . . 0.0 108.977 172.733 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 56' ' ' LEU . . . . . 0.472 HD13 ' O ' ' A' ' 56' ' ' LEU . 3.1 tm? -64.82 -34.73 79.06 Favored 'General case' 0 C--O 1.215 -0.735 0 CA-C-N 115.7 -0.682 . . . . 0.0 109.441 173.821 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 28.6 tt0 -62.23 -31.9 72.51 Favored 'General case' 0 C--N 1.33 -0.274 0 N-CA-C 110.277 -0.268 . . . . 0.0 110.277 177.996 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 58' ' ' VAL . . . . . 0.588 ' O ' ' HB3' ' A' ' 61' ' ' ARG . 71.4 t -60.47 -55.34 25.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-O 121.336 0.589 . . . . 0.0 110.49 171.008 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 59' ' ' ILE . . . . . 0.548 HG23 ' HB1' ' A' ' 71' ' ' ALA . 1.8 mp -59.24 -42.31 86.62 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.441 0 CA-C-N 115.684 -0.689 . . . . 0.0 110.407 178.373 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 60' ' ' ARG . . . . . 0.407 ' HB2' HD13 ' A' ' 56' ' ' LEU . 48.2 ttp85 -68.26 -29.46 68.26 Favored 'General case' 0 C--N 1.323 -0.569 0 CA-C-N 115.211 -0.904 . . . . 0.0 110.578 -179.073 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 61' ' ' ARG . . . . . 0.588 ' HB3' ' O ' ' A' ' 58' ' ' VAL . 25.0 tpt180 -58.21 -40.18 80.91 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 115.999 -0.546 . . . . 0.0 109.846 171.583 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 62' ' ' PHE . . . . . 0.505 ' HA ' ' HD3' ' A' ' 65' ' ' ARG . 92.2 m-85 -77.81 -24.33 48.8 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-N 115.977 -0.556 . . . . 0.0 111.205 176.82 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 39.9 mt-10 -65.1 -41.51 94.88 Favored 'General case' 0 N--CA 1.464 0.24 0 CA-C-O 120.615 0.245 . . . . 0.0 110.685 175.321 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 28.6 m-20 -58.05 -28.53 64.6 Favored 'General case' 0 N--CA 1.466 0.334 0 CA-C-O 121.102 0.477 . . . . 0.0 110.449 176.433 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 65' ' ' ARG . . . . . 0.505 ' HD3' ' HA ' ' A' ' 62' ' ' PHE . 24.8 mtp180 -83.85 -35.18 24.38 Favored 'General case' 0 C--N 1.323 -0.551 0 CA-C-N 115.348 -0.842 . . . . 0.0 110.92 179.689 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 99.79 3.76 55.94 Favored Glycine 0 N--CA 1.448 -0.527 0 N-CA-C 111.234 -0.746 . . . . 0.0 111.234 -176.491 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -83.25 87.91 6.94 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-N 115.437 -0.382 . . . . 0.0 110.464 -179.717 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 68' ' ' MET . . . . . 0.505 ' HA ' ' CE ' ' A' ' 68' ' ' MET . 0.0 OUTLIER -69.78 -42.81 73.29 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-N 116.3 -0.409 . . . . 0.0 110.393 -177.121 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 30.3 mt-10 -54.3 -55.3 29.69 Favored 'General case' 0 CA--C 1.516 -0.331 0 CA-C-N 115.941 -0.572 . . . . 0.0 111.093 175.823 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 70' ' ' ARG . . . . . 0.548 ' HA ' ' HB2' ' A' ' 73' ' ' LYS . 82.3 mtt180 -74.55 -12.47 60.48 Favored 'General case' 0 C--N 1.321 -0.641 0 CA-C-N 115.487 -0.778 . . . . 0.0 111.339 -170.963 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 71' ' ' ALA . . . . . 0.548 ' HB1' HG23 ' A' ' 59' ' ' ILE . . . -74.89 -48.4 25.0 Favored 'General case' 0 C--N 1.327 -0.404 0 N-CA-C 109.501 -0.555 . . . . 0.0 109.501 171.281 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 72' ' ' ASN . . . . . . . . . . . . . 94.0 m-20 -69.64 -35.47 75.25 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 115.98 -0.555 . . . . 0.0 110.483 177.077 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 73' ' ' LYS . . . . . 0.548 ' HB2' ' HA ' ' A' ' 70' ' ' ARG . 97.6 mttt -68.26 -25.38 65.15 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.656 176.569 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 74' ' ' ALA . . . . . 0.403 ' HA ' HH21 ' A' ' 77' ' ' ARG . . . -67.37 -54.86 16.83 Favored 'General case' 0 C--N 1.329 -0.32 0 N-CA-C 109.436 -0.579 . . . . 0.0 109.436 172.577 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 75' ' ' ARG . . . . . 0.428 HH11 ' HD3' ' A' ' 75' ' ' ARG . 30.1 ttt180 -53.76 -43.58 69.3 Favored 'General case' 0 C--N 1.332 -0.175 0 CA-C-N 115.596 -0.729 . . . . 0.0 111.083 177.079 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 28.7 ttm180 -60.46 -48.71 80.59 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.137 -178.486 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 77' ' ' ARG . . . . . 0.5 ' O ' HG23 ' A' ' 81' ' ' VAL . 87.9 mtm180 -64.14 -46.4 84.28 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.766 -179.263 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 78' ' ' CYS . . . . . . . . . . . . . 77.4 m -62.24 -35.44 78.94 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.379 -0.373 . . . . 0.0 110.569 178.219 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . -61.59 -39.46 97.39 Favored Glycine 0 N--CA 1.452 -0.254 0 C-N-CA 121.3 -0.476 . . . . 0.0 112.244 177.432 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 42.8 tt0 -70.53 -36.08 73.52 Favored 'General case' 0 C--N 1.328 -0.363 0 N-CA-C 109.889 -0.412 . . . . 0.0 109.889 176.898 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 81' ' ' VAL . . . . . 0.5 HG23 ' O ' ' A' ' 77' ' ' ARG . 97.1 t -60.56 -43.37 94.4 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.201 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.218 174.223 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 82' ' ' PHE . . . . . 0.451 ' O ' HG13 ' A' ' 86' ' ' ILE . 22.4 m-85 -60.51 -45.67 92.96 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 115.971 -0.558 . . . . 0.0 110.36 175.814 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 83' ' ' ARG . . . . . 0.484 ' O ' HG23 ' A' ' 87' ' ' VAL . 34.5 ttm180 -61.6 -41.25 97.17 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.465 178.543 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 84' ' ' TYR . . . . . . . . . . . . . 10.5 t80 -55.27 -40.54 71.13 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 115.796 -0.638 . . . . 0.0 109.707 177.218 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 85' ' ' ALA . . . . . 0.426 ' HB2' HD13 ' A' ' 47' ' ' ILE . . . -71.07 -37.75 72.46 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 115.476 -0.784 . . . . 0.0 111.221 177.899 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 86' ' ' ILE . . . . . 0.451 HG13 ' O ' ' A' ' 82' ' ' PHE . 85.9 mt -61.84 -43.77 97.85 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 CA-C-O 121.036 0.446 . . . . 0.0 110.611 177.745 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 87' ' ' VAL . . . . . 0.484 HG23 ' O ' ' A' ' 83' ' ' ARG . 55.7 t -66.37 -38.65 82.26 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.046 -0.525 . . . . 0.0 111.075 179.348 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 88' ' ' THR . . . . . . . . . . . . . 19.8 p -79.94 -11.4 59.8 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 116.275 -0.421 . . . . 0.0 111.392 -178.802 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . 87.88 13.51 64.46 Favored Glycine 0 N--CA 1.453 -0.204 0 C-N-CA 120.898 -0.667 . . . . 0.0 112.499 179.243 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 90' ' ' ARG . . . . . 0.76 HH11 HG12 ' A' ' 10' ' ' ILE . 99.3 mtt180 -86.91 -16.09 37.01 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-O 120.694 0.283 . . . . 0.0 110.968 -179.487 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . -143.0 159.61 41.91 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-O 120.769 0.319 . . . . 0.0 110.962 -179.61 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 67.1 mttm -119.05 -38.9 2.99 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 116.071 -0.513 . . . . 0.0 110.45 179.261 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 93' ' ' TYR . . . . . . . . . . . . . 85.7 t80 -128.01 137.77 52.34 Favored 'General case' 0 C--N 1.323 -0.579 0 CA-C-N 115.955 -0.566 . . . . 0.0 109.729 178.861 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 94' ' ' ASN . . . . . 0.439 ' C ' ' H ' ' A' ' 96' ' ' ALA . 19.6 p-10 -100.41 125.26 39.92 Favored Pre-proline 0 C--N 1.319 -0.75 0 N-CA-C 109.462 -0.57 . . . . 0.0 109.462 175.449 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 95' ' ' PRO . . . . . 0.42 ' HD3' ' HA ' ' A' ' 94' ' ' ASN . 16.8 Cg_exo -69.11 26.59 0.16 Allowed 'Trans proline' 0 CA--C 1.531 0.372 0 C-N-CA 123.245 2.63 . . . . 0.0 113.19 -177.621 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 96' ' ' ALA . . . . . 0.577 ' HB3' ' HD3' ' A' ' 97' ' ' PRO . . . -70.53 -49.26 16.21 Favored Pre-proline 0 C--N 1.326 -0.44 0 N-CA-C 112.043 0.386 . . . . 0.0 112.043 -178.617 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 97' ' ' PRO . . . . . 0.577 ' HD3' ' HB3' ' A' ' 96' ' ' ALA . 34.0 Cg_exo -60.26 -44.89 25.64 Favored 'Trans proline' 0 C--N 1.355 0.897 0 C-N-CA 121.937 1.758 . . . . 0.0 112.359 176.857 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 26.7 t70 -71.71 -21.54 61.76 Favored 'General case' 0 C--N 1.332 -0.193 0 CA-C-O 120.944 0.402 . . . . 0.0 110.617 -179.498 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 99' ' ' LEU . . . . . . . . . . . . . 3.3 tm? -62.77 -38.2 89.66 Favored 'General case' 0 C--N 1.33 -0.278 0 N-CA-C 109.175 -0.676 . . . . 0.0 109.175 172.963 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 100' ' ' ALA . . . . . . . . . . . . . . . -68.12 -38.19 81.96 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 115.885 -0.598 . . . . 0.0 110.157 177.644 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 4.7 m-20 -65.76 -37.5 86.51 Favored 'General case' 0 CA--C 1.519 -0.244 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.597 175.574 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 102' ' ' ALA . . . . . 0.425 ' O ' ' HB3' ' A' ' 106' ' ' TYR . . . -66.24 -45.87 79.14 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 116.291 -0.413 . . . . 0.0 110.344 176.2 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 103' ' ' MET . . . . . . . . . . . . . 53.9 ttm -60.11 -23.94 64.25 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-O 121.213 0.53 . . . . 0.0 110.985 177.936 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 104' ' ' LYS . . . . . . . . . . . . . 63.5 tttp -90.32 -56.74 3.09 Favored 'General case' 0 C--N 1.323 -0.583 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.981 179.501 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 105' ' ' GLY . . . . . . . . . . . . . . . -79.61 -36.57 25.82 Favored Glycine 0 CA--C 1.518 0.233 0 CA-C-N 115.778 -0.646 . . . . 0.0 113.794 -173.118 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 106' ' ' TYR . . . . . 0.425 ' HB3' ' O ' ' A' ' 102' ' ' ALA . 85.3 t80 -75.7 -30.4 59.32 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 117.22 0.51 . . . . 0.0 110.536 -178.281 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 107' ' ' ARG . . . . . . . . . . . . . 27.8 mtm180 -79.81 -0.08 33.06 Favored 'General case' 0 C--N 1.33 -0.262 0 C-N-CA 120.537 -0.465 . . . . 0.0 110.704 178.074 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 108' ' ' LYS . . . . . . . . . . . . . 28.6 ttpp -75.55 -6.86 52.4 Favored 'General case' 0 C--N 1.332 -0.172 0 CA-C-O 121.95 0.881 . . . . 0.0 109.019 172.338 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 109' ' ' LYS . . . . . . . . . . . . . 48.8 tttp -73.46 -21.58 60.4 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 114.646 -1.161 . . . . 0.0 109.415 173.552 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 110' ' ' ASN . . . . . . . . . . . . . 52.0 t-20 -110.72 100.5 9.25 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 115.34 -0.845 . . . . 0.0 109.366 179.725 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 111' ' ' LEU . . . . . . . . . . . . . 98.2 mt -91.86 163.96 13.85 Favored 'General case' 0 C--N 1.323 -0.578 0 CA-C-N 116.09 -0.505 . . . . 0.0 110.753 -177.889 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 112' ' ' GLU . . . . . . . . . . . . . 40.3 mt-10 -71.94 169.6 15.53 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 116.09 -0.505 . . . . 0.0 110.502 179.032 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 113' ' ' HIS . . . . . . . . . . . . . 85.8 m-70 -86.64 -65.09 1.05 Allowed 'General case' 0 C--N 1.323 -0.557 0 N-CA-C 109.53 -0.544 . . . . 0.0 109.53 -178.142 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 114' ' ' HIS . . . . . . . . . . . . . 26.3 m170 -93.94 116.07 28.49 Favored 'General case' 0 C--N 1.324 -0.504 0 N-CA-C 108.74 -0.837 . . . . 0.0 108.74 169.966 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 115' ' ' HIS . . . . . . . . . . . . . 56.4 t60 -65.44 -33.62 76.38 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-O 120.997 0.427 . . . . 0.0 110.385 -176.507 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 116' ' ' HIS . . . . . . . . . . . . . 2.4 t-80 -91.73 135.39 33.93 Favored 'General case' 0 C--N 1.321 -0.645 0 N-CA-C 108.688 -0.856 . . . . 0.0 108.688 175.774 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 117' ' ' HIS . . . . . . . . . . . . . 67.8 m80 -92.33 102.03 14.51 Favored 'General case' 0 C--N 1.321 -0.637 0 CA-C-O 121.386 0.612 . . . . 0.0 111.76 -171.978 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 118' ' ' HIS . . . . . . . . . . . . . 64.0 t60 . . . . . 0 C--O 1.247 0.943 0 CA-C-N 115.058 -0.973 . . . . 0.0 109.1 175.226 . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 12.2 p . . . . . 0 N--CA 1.475 0.8 0 CA-C-O 120.6 0.238 . . . . 0.0 111.405 . . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 48.2 m -79.78 -21.79 43.95 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-O 120.796 0.331 . . . . 0.0 111.076 -178.968 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 3' ' ' ASN . . . . . . . . . . . . . 27.1 t30 -98.76 98.53 9.63 Favored 'General case' 0 C--N 1.326 -0.418 0 N-CA-C 109.19 -0.671 . . . . 0.0 109.19 173.814 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 4' ' ' ASN . . . . . . . . . . . . . 32.4 t30 -101.57 126.71 48.43 Favored 'General case' 0 C--N 1.321 -0.647 0 CA-C-N 115.893 -0.594 . . . . 0.0 110.265 -178.25 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 92.9 m-20 -91.34 23.08 3.53 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.116 -0.493 . . . . 0.0 111.68 -174.769 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 6' ' ' SER . . . . . 0.588 ' HA ' ' HA ' ' A' ' 46' ' ' GLU . 74.3 m -64.65 149.83 48.24 Favored 'General case' 0 C--O 1.236 0.377 0 CA-C-O 120.849 0.357 . . . . 0.0 110.594 176.454 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 7' ' ' PHE . . . . . . . . . . . . . 31.9 t80 -58.32 -39.77 80.28 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 115.684 -0.689 . . . . 0.0 110.656 -177.702 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 16.9 p -59.85 -41.75 92.12 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.351 -0.386 . . . . 0.0 111.632 179.796 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -61.96 -48.81 78.73 Favored 'General case' 0 C--O 1.236 0.392 0 CA-C-O 120.986 0.422 . . . . 0.0 110.795 -178.854 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 64.8 mt -68.41 -39.23 80.5 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 115.942 -0.572 . . . . 0.0 110.187 178.468 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 7.0 t80 -56.83 -46.57 81.61 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 115.842 -0.617 . . . . 0.0 111.416 177.032 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 81.2 tttt -63.4 -41.8 98.77 Favored 'General case' 0 C--N 1.329 -0.325 0 C-N-CA 120.659 -0.416 . . . . 0.0 110.673 -178.14 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 37.1 tt0 -65.63 -45.17 84.05 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 121.154 0.502 . . . . 0.0 110.147 178.181 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 14' ' ' TRP . . . . . . . . . . . . . 68.8 t90 -58.96 -46.93 86.84 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 115.491 -0.777 . . . . 0.0 110.417 177.092 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 15' ' ' TYR . . . . . 0.448 ' CE1' ' HB2' ' A' ' 31' ' ' ALA . 24.7 t80 -61.13 -49.11 78.58 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.038 -0.528 . . . . 0.0 111.222 177.727 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 38.6 tt0 -61.4 -30.5 70.59 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-O 121.283 0.563 . . . . 0.0 110.484 -178.77 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 17' ' ' HIS . . . . . 0.647 ' O ' ' HG2' ' A' ' 20' ' ' GLN . 72.9 t60 -78.37 -50.97 10.79 Favored 'General case' 0 C--N 1.323 -0.562 0 CA-C-N 115.778 -0.646 . . . . 0.0 110.296 178.312 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 32.6 mmtm -67.67 -14.39 62.91 Favored 'General case' 0 N--CA 1.467 0.376 0 CA-C-N 116.335 -0.393 . . . . 0.0 111.54 179.684 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 80.4 tttt -57.23 -29.06 63.46 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 115.82 -0.627 . . . . 0.0 111.24 179.287 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 20' ' ' GLN . . . . . 0.647 ' HG2' ' O ' ' A' ' 17' ' ' HIS . 13.4 pt20 -87.29 -5.35 58.95 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.381 -0.372 . . . . 0.0 110.988 -177.66 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 71.5 t -93.3 -49.59 12.73 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.401 0 CA-C-O 121.223 0.535 . . . . 0.0 110.295 179.784 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 22' ' ' TRP . . . . . . . . . . . . . 9.3 m0 -88.17 170.63 10.87 Favored 'General case' 0 C--N 1.32 -0.702 0 CA-C-N 115.608 -0.724 . . . . 0.0 110.382 -179.066 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 7.7 m -79.52 146.53 32.61 Favored 'General case' 0 C--N 1.321 -0.66 0 N-CA-C 109.375 -0.602 . . . . 0.0 109.375 175.067 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 14.4 p -52.66 -39.18 29.3 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.463 0 N-CA-C 112.482 0.549 . . . . 0.0 112.482 -173.668 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -64.61 -53.51 34.73 Favored Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.711 -0.756 . . . . 0.0 111.842 179.302 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 26' ' ' TYR . . . . . . . . . . . . . 73.4 t80 -58.83 -42.86 90.25 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.874 0.369 . . . . 0.0 110.693 178.287 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -61.82 -40.96 97.1 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.023 -0.535 . . . . 0.0 111.149 -179.658 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 62.3 m -66.48 -45.58 79.19 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.463 -0.335 . . . . 0.0 111.002 178.985 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 28.6 mm-40 -60.28 -46.98 87.93 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-O 120.845 0.355 . . . . 0.0 111.144 177.584 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 10.2 tt -60.14 -47.46 85.84 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.012 -0.54 . . . . 0.0 110.297 179.399 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 31' ' ' ALA . . . . . 0.448 ' HB2' ' CE1' ' A' ' 15' ' ' TYR . . . -63.83 -42.57 97.6 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 116.037 -0.529 . . . . 0.0 111.301 -179.235 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 17.8 ttpp -66.44 -45.79 78.63 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-O 120.747 0.308 . . . . 0.0 110.352 -178.233 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 33' ' ' MET . . . . . 0.559 ' SD ' ' HD3' ' A' ' 70' ' ' ARG . 50.7 ttp -59.21 -49.75 76.64 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.059 -0.519 . . . . 0.0 110.543 177.323 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 34' ' ' PHE . . . . . 0.644 ' O ' ' HB ' ' A' ' 38' ' ' ILE . 22.2 t80 -61.84 -38.02 86.66 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 115.506 -0.77 . . . . 0.0 110.051 -179.188 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 35' ' ' ASP . . . . . 0.762 ' HA ' HD23 ' A' ' 39' ' ' LEU . 13.2 t70 -65.99 -53.82 34.01 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 115.939 -0.573 . . . . 0.0 110.768 178.931 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 58.5 m-20 -55.92 -36.26 67.52 Favored 'General case' 0 N--CA 1.468 0.441 0 CA-C-N 115.871 -0.604 . . . . 0.0 112.578 -174.333 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 37' ' ' ASP . . . . . 0.448 ' O ' HG12 ' A' ' 41' ' ' ILE . 21.1 m-20 -103.2 -50.95 3.35 Favored 'General case' 0 C--N 1.324 -0.521 0 N-CA-C 112.766 0.654 . . . . 0.0 112.766 -175.841 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 38' ' ' ILE . . . . . 0.644 ' HB ' ' O ' ' A' ' 34' ' ' PHE . 2.0 mp -68.89 -41.26 81.97 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.426 0 N-CA-C 112.021 0.378 . . . . 0.0 112.021 -172.913 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 39' ' ' LEU . . . . . 0.762 HD23 ' HA ' ' A' ' 35' ' ' ASP . 3.1 mm? -60.05 -51.13 82.67 Favored Pre-proline 0 CA--C 1.535 0.371 0 N-CA-C 112.716 0.636 . . . . 0.0 112.716 -174.508 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 33.4 Cg_exo -61.03 -18.77 59.82 Favored 'Trans proline' 0 C--N 1.351 0.661 0 C-N-CA 122.065 1.844 . . . . 0.0 113.187 177.389 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 41' ' ' ILE . . . . . 0.503 HG22 HG23 ' A' ' 42' ' ' ILE . 43.0 mm -97.13 -64.67 1.33 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-O 120.614 0.245 . . . . 0.0 111.396 -176.592 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 42' ' ' ILE . . . . . 0.503 HG23 HG22 ' A' ' 41' ' ' ILE . 10.9 pt -121.46 3.81 6.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 N-CA-C 111.857 0.317 . . . . 0.0 111.857 -175.908 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 43' ' ' GLY . . . . . 0.54 ' HA3' ' HA ' ' A' ' 39' ' ' LEU . . . -56.92 -42.24 92.32 Favored Glycine 0 CA--C 1.512 -0.108 0 C-N-CA 120.847 -0.692 . . . . 0.0 112.673 -175.94 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -88.65 8.92 77.95 Favored Glycine 0 N--CA 1.447 -0.582 0 C-N-CA 120.766 -0.73 . . . . 0.0 112.832 -178.514 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 96.0 mt -95.59 141.36 29.19 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 116.961 0.38 . . . . 0.0 110.149 179.531 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 46' ' ' GLU . . . . . 0.588 ' HA ' ' HA ' ' A' ' 6' ' ' SER . 45.9 mt-10 -71.28 136.75 48.08 Favored 'General case' 0 C--N 1.32 -0.683 0 N-CA-C 109.542 -0.54 . . . . 0.0 109.542 175.778 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 14.6 tt -60.9 -23.06 28.32 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.573 0 CA-C-N 115.966 -0.561 . . . . 0.0 112.148 -170.098 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 19.1 mt-30 -90.77 -5.74 55.27 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.757 -0.201 . . . . 0.0 111.229 178.912 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 21.4 t70 -122.31 6.53 9.64 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-O 120.892 0.377 . . . . 0.0 111.384 -172.76 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 50' ' ' ILE . . . . . 0.487 HG13 ' O ' ' A' ' 46' ' ' GLU . 74.1 mt -71.83 127.11 33.44 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 CA-C-O 121.008 0.432 . . . . 0.0 110.516 179.388 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 51' ' ' GLU . . . . . 0.403 ' HA ' ' HD3' ' A' ' 52' ' ' PRO . 1.5 pm0 -84.14 144.76 44.68 Favored Pre-proline 0 C--N 1.32 -0.682 0 CA-C-N 115.769 -0.65 . . . . 0.0 110.989 -178.975 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 52' ' ' PRO . . . . . 0.476 ' HB3' ' HB3' ' A' ' 98' ' ' ASP . 68.5 Cg_exo -51.86 -46.68 30.64 Favored 'Trans proline' 0 C--O 1.233 0.233 0 C-N-CA 123.486 2.79 . . . . 0.0 113.378 -178.96 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 53' ' ' MET . . . . . . . . . . . . . 89.7 mtp -69.25 -21.92 63.87 Favored 'General case' 0 C--N 1.328 -0.364 0 N-CA-C 111.842 0.312 . . . . 0.0 111.842 -174.966 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 7.3 tp60 -82.45 -31.94 29.21 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-O 121.365 0.602 . . . . 0.0 109.68 177.466 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 29.1 tp -69.87 -39.73 76.16 Favored 'General case' 0 C--N 1.324 -0.51 0 N-CA-C 109.27 -0.641 . . . . 0.0 109.27 175.323 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 2.6 tm? -64.56 -29.64 70.66 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 115.763 -0.653 . . . . 0.0 109.414 173.664 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 57' ' ' GLU . . . . . 0.422 ' CD ' HH21 ' A' ' 60' ' ' ARG . 6.0 tp10 -63.19 -34.93 78.7 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.182 177.663 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 58' ' ' VAL . . . . . 0.482 HG11 HG13 ' A' ' 38' ' ' ILE . 76.7 t -61.82 -54.47 34.25 Favored 'Isoleucine or valine' 0 C--O 1.233 0.184 0 CA-C-O 120.962 0.41 . . . . 0.0 110.406 173.481 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 59' ' ' ILE . . . . . . . . . . . . . 1.8 mp -55.32 -44.08 73.92 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.272 0 CA-C-N 115.998 -0.546 . . . . 0.0 110.387 177.906 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 60' ' ' ARG . . . . . 0.422 HH21 ' CD ' ' A' ' 57' ' ' GLU . 24.9 ttp180 -70.77 -23.56 62.42 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 115.712 -0.676 . . . . 0.0 111.142 -178.151 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 15.5 tpt180 -64.74 -40.5 95.42 Favored 'General case' 0 C--N 1.33 -0.259 0 N-CA-C 109.663 -0.495 . . . . 0.0 109.663 175.215 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 62' ' ' PHE . . . . . . . . . . . . . 79.4 m-85 -72.97 -30.03 63.52 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 115.975 -0.557 . . . . 0.0 111.023 176.309 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 34.8 tt0 -64.04 -39.42 94.06 Favored 'General case' 0 C--N 1.331 -0.206 0 N-CA-C 109.897 -0.409 . . . . 0.0 109.897 176.123 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 12.7 t70 -57.28 -37.35 72.25 Favored 'General case' 0 N--CA 1.463 0.19 0 CA-C-N 115.743 -0.662 . . . . 0.0 110.806 176.024 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 91.6 mtt-85 -75.55 -23.1 56.57 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 115.801 -0.636 . . . . 0.0 110.802 179.55 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 90.44 7.88 66.68 Favored Glycine 0 N--CA 1.447 -0.606 0 C-N-CA 120.7 -0.762 . . . . 0.0 111.223 -173.949 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -89.51 88.5 7.47 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-O 120.931 0.396 . . . . 0.0 110.253 -179.183 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 68' ' ' MET . . . . . 0.518 ' HA ' ' CE ' ' A' ' 68' ' ' MET . 0.0 OUTLIER -72.97 -35.12 66.86 Favored 'General case' 0 C--N 1.324 -0.538 0 CA-C-N 116.0 -0.545 . . . . 0.0 110.394 -176.038 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 24.0 tt0 -60.58 -54.5 44.71 Favored 'General case' 0 CA--C 1.519 -0.24 0 CA-C-N 116.028 -0.533 . . . . 0.0 110.014 178.229 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 70' ' ' ARG . . . . . 0.559 ' HD3' ' SD ' ' A' ' 33' ' ' MET . 48.3 mtt-85 -66.92 -25.13 66.22 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 115.474 -0.784 . . . . 0.0 110.968 -176.147 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -65.96 -50.19 65.21 Favored 'General case' 0 C--O 1.235 0.318 0 CA-C-O 121.156 0.503 . . . . 0.0 110.344 175.769 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 72' ' ' ASN . . . . . . . . . . . . . 4.6 m-20 -71.75 -27.99 63.36 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-O 121.284 0.564 . . . . 0.0 110.297 179.021 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 73' ' ' LYS . . . . . 0.419 ' HB3' ' HA ' ' A' ' 70' ' ' ARG . 75.6 tttt -73.49 -37.95 65.55 Favored 'General case' 0 C--N 1.323 -0.546 0 CA-C-N 115.469 -0.787 . . . . 0.0 110.62 179.613 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -58.69 -51.46 69.85 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.508 -0.315 . . . . 0.0 110.237 175.535 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 70.6 ttt180 -51.06 -50.09 59.36 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 115.946 -0.57 . . . . 0.0 111.271 178.532 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 83.6 mtm180 -73.12 -27.54 61.75 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-N 115.833 -0.621 . . . . 0.0 111.801 -175.54 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 77' ' ' ARG . . . . . 0.628 ' NE ' ' HA ' ' A' ' 77' ' ' ARG . 0.0 OUTLIER -79.06 -35.25 42.84 Favored 'General case' 0 C--N 1.329 -0.291 0 C-N-CA 120.71 -0.396 . . . . 0.0 110.066 179.266 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 78' ' ' CYS . . . . . . . . . . . . . 94.9 m -65.83 -40.18 91.56 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 120.805 0.336 . . . . 0.0 110.184 174.547 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . -60.98 -33.22 83.02 Favored Glycine 0 C--N 1.334 0.421 0 C-N-CA 120.896 -0.669 . . . . 0.0 111.931 174.768 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 80' ' ' GLU . . . . . 0.427 ' HB3' ' O ' ' A' ' 77' ' ' ARG . 28.1 tp10 -65.1 -43.58 91.61 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-O 120.9 0.381 . . . . 0.0 110.254 175.208 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 81' ' ' VAL . . . . . 0.411 HG23 ' O ' ' A' ' 77' ' ' ARG . 62.0 t -64.86 -40.46 89.15 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.251 0 CA-C-N 116.291 -0.413 . . . . 0.0 110.455 177.012 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 82' ' ' PHE . . . . . 0.432 ' O ' HG13 ' A' ' 86' ' ' ILE . 19.1 m-85 -60.1 -43.43 95.59 Favored 'General case' 0 C--N 1.332 -0.154 0 CA-C-N 116.292 -0.413 . . . . 0.0 110.378 176.379 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 83' ' ' ARG . . . . . 0.412 ' O ' HG23 ' A' ' 87' ' ' VAL . 31.8 ttt180 -57.37 -49.76 75.13 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 115.949 -0.569 . . . . 0.0 110.307 175.968 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 84' ' ' TYR . . . . . . . . . . . . . 64.4 t80 -56.11 -42.76 77.33 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 115.941 -0.572 . . . . 0.0 110.428 179.072 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -67.62 -35.59 79.23 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 115.819 -0.628 . . . . 0.0 111.839 -178.179 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 86' ' ' ILE . . . . . 0.432 HG13 ' O ' ' A' ' 82' ' ' PHE . 82.2 mt -66.93 -42.59 89.08 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.446 0 CA-C-O 121.061 0.457 . . . . 0.0 110.17 176.982 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 87' ' ' VAL . . . . . 0.412 HG23 ' O ' ' A' ' 83' ' ' ARG . 64.5 t -68.06 -33.86 63.45 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.37 0 CA-C-N 115.884 -0.598 . . . . 0.0 110.907 179.416 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 88' ' ' THR . . . . . . . . . . . . . 17.0 p -85.2 0.42 51.89 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-O 120.875 0.369 . . . . 0.0 111.467 179.903 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . 69.39 30.86 71.18 Favored Glycine 0 N--CA 1.452 -0.286 0 C-N-CA 121.194 -0.527 . . . . 0.0 112.757 177.227 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 99.2 mtt180 -113.29 -3.38 13.84 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-O 120.568 0.223 . . . . 0.0 111.022 179.624 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . -139.04 130.71 27.4 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-O 120.893 0.378 . . . . 0.0 110.884 176.924 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 63.7 tttp -96.63 -34.73 11.29 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 115.757 -0.656 . . . . 0.0 110.378 179.003 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 93' ' ' TYR . . . . . . . . . . . . . 87.7 t80 -142.71 144.37 32.66 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 115.573 -0.74 . . . . 0.0 109.683 -178.102 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 94' ' ' ASN . . . . . . . . . . . . . 26.2 p-10 -120.52 133.8 24.09 Favored Pre-proline 0 C--N 1.323 -0.55 0 CA-C-O 120.786 0.327 . . . . 0.0 110.459 178.228 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 95' ' ' PRO . . . . . . . . . . . . . 73.3 Cg_endo -76.7 34.28 0.44 Allowed 'Trans proline' 0 CA--C 1.529 0.255 0 C-N-CA 122.999 2.466 . . . . 0.0 113.04 -178.096 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 96' ' ' ALA . . . . . 0.524 ' N ' ' HD2' ' A' ' 97' ' ' PRO . . . -68.12 -48.31 38.14 Favored Pre-proline 0 CA--C 1.537 0.47 0 CA-C-N 116.333 -0.394 . . . . 0.0 111.661 -179.203 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 97' ' ' PRO . . . . . 0.524 ' HD2' ' N ' ' A' ' 96' ' ' ALA . 18.0 Cg_endo -60.62 -35.54 89.29 Favored 'Trans proline' 0 C--N 1.357 1.003 0 C-N-CA 121.82 1.68 . . . . 0.0 111.615 174.514 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 98' ' ' ASP . . . . . 0.476 ' HB3' ' HB3' ' A' ' 52' ' ' PRO . 15.0 m-20 -66.93 -37.96 85.3 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.022 -0.535 . . . . 0.0 110.268 178.987 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 99' ' ' LEU . . . . . 0.456 ' C ' HD13 ' A' ' 99' ' ' LEU . 3.3 tm? -54.76 -49.74 70.15 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 115.421 -0.808 . . . . 0.0 109.956 175.22 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 100' ' ' ALA . . . . . 0.554 ' O ' ' HG3' ' A' ' 104' ' ' LYS . . . -71.7 -24.57 61.83 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-N 115.787 -0.642 . . . . 0.0 110.967 -179.152 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 17.6 t70 -68.35 -50.41 53.4 Favored 'General case' 0 C--N 1.324 -0.531 0 CA-C-N 115.936 -0.575 . . . . 0.0 110.514 -179.724 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -65.51 -35.79 81.91 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-N 115.963 -0.562 . . . . 0.0 110.598 177.592 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 103' ' ' MET . . . . . . . . . . . . . 54.5 ttm -55.22 -39.54 69.78 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.087 -0.506 . . . . 0.0 111.12 177.494 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 104' ' ' LYS . . . . . 0.554 ' HG3' ' O ' ' A' ' 100' ' ' ALA . 43.7 mttp -69.37 -45.58 69.01 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-O 120.848 0.356 . . . . 0.0 110.79 178.596 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 105' ' ' GLY . . . . . 0.478 ' O ' ' HB3' ' A' ' 108' ' ' LYS . . . -67.37 -23.89 73.51 Favored Glycine 0 N--CA 1.455 -0.093 0 C-N-CA 120.918 -0.658 . . . . 0.0 111.963 179.642 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 106' ' ' TYR . . . . . . . . . . . . . 54.1 t80 -69.72 -46.78 65.17 Favored 'General case' 0 C--N 1.323 -0.573 0 CA-C-N 115.459 -0.37 . . . . 0.0 110.384 177.709 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 107' ' ' ARG . . . . . . . . . . . . . 57.6 ttp85 -74.55 -11.65 60.26 Favored 'General case' 0 CA--C 1.533 0.317 0 CA-C-O 121.531 0.681 . . . . 0.0 110.415 179.123 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 108' ' ' LYS . . . . . 0.478 ' HB3' ' O ' ' A' ' 105' ' ' GLY . 81.9 tttt -69.64 -27.03 64.71 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 115.514 -0.766 . . . . 0.0 109.876 174.84 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 109' ' ' LYS . . . . . . . . . . . . . 97.0 mttt -95.23 152.46 18.35 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 115.732 -0.667 . . . . 0.0 110.711 -179.266 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 110' ' ' ASN . . . . . . . . . . . . . 41.8 m-80 -105.75 92.64 4.26 Favored 'General case' 0 C--N 1.321 -0.661 0 CA-C-N 115.993 -0.549 . . . . 0.0 109.901 178.554 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 111' ' ' LEU . . . . . . . . . . . . . 30.1 tp -61.88 127.16 30.09 Favored 'General case' 0 C--N 1.322 -0.602 0 CA-C-N 115.575 -0.739 . . . . 0.0 110.436 -178.884 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 112' ' ' GLU . . . . . . . . . . . . . 40.7 tt0 -55.17 -46.7 75.8 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 115.43 -0.804 . . . . 0.0 111.011 -178.914 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 113' ' ' HIS . . . . . 0.492 ' HB3' ' O ' ' A' ' 115' ' ' HIS . 65.2 m80 -100.78 101.2 11.99 Favored 'General case' 0 C--N 1.323 -0.565 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.149 176.653 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 114' ' ' HIS . . . . . . . . . . . . . 76.8 m80 -64.76 -29.91 70.9 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-O 121.541 0.686 . . . . 0.0 109.603 177.544 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 115' ' ' HIS . . . . . 0.492 ' O ' ' HB3' ' A' ' 113' ' ' HIS . 38.4 m80 -99.84 113.24 25.62 Favored 'General case' 0 C--N 1.322 -0.624 0 N-CA-C 107.357 -1.349 . . . . 0.0 107.357 164.855 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 116' ' ' HIS . . . . . . . . . . . . . 15.4 t-80 -61.51 -13.71 23.35 Favored 'General case' 0 CA--C 1.535 0.377 0 N-CA-C 112.563 0.579 . . . . 0.0 112.563 -169.581 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 117' ' ' HIS . . . . . . . . . . . . . 98.4 m-70 -103.91 -74.75 0.63 Allowed 'General case' 0 C--N 1.324 -0.51 0 N-CA-C 109.677 -0.49 . . . . 0.0 109.677 174.241 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 118' ' ' HIS . . . . . . . . . . . . . 8.1 m80 . . . . . 0 C--O 1.243 0.748 0 CA-C-O 118.358 -0.83 . . . . 0.0 110.195 176.811 . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 29.8 m . . . . . 0 N--CA 1.474 0.729 0 CA-C-O 120.974 0.416 . . . . 0.0 110.583 . . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 22.7 t -84.47 -43.9 14.16 Favored 'General case' 0 C--N 1.325 -0.467 0 N-CA-C 109.019 -0.734 . . . . 0.0 109.019 176.62 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 3' ' ' ASN . . . . . . . . . . . . . 5.8 t30 -79.02 97.26 6.02 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-N 115.192 -0.913 . . . . 0.0 109.693 176.825 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 4' ' ' ASN . . . . . . . . . . . . . 32.5 t-20 -102.73 122.68 44.95 Favored 'General case' 0 C--N 1.323 -0.586 0 N-CA-C 109.858 -0.423 . . . . 0.0 109.858 -178.979 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 29.1 p-10 -105.56 13.0 30.65 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.666 -175.216 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 62.1 p -69.75 154.07 42.49 Favored 'General case' 0 C--O 1.238 0.467 0 N-CA-C 110.011 -0.366 . . . . 0.0 110.011 176.916 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 7' ' ' PHE . . . . . . . . . . . . . 43.5 t80 -60.96 -41.09 95.67 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-N 116.38 -0.373 . . . . 0.0 110.548 -178.363 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 29.0 t -60.48 -39.53 87.97 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.463 -0.335 . . . . 0.0 111.185 179.487 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -66.87 -45.38 78.27 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.937 0.398 . . . . 0.0 111.163 -178.556 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 56.0 mt -73.46 -33.77 40.82 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.436 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.511 -179.806 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 0.4 OUTLIER -60.09 -41.02 91.61 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.232 173.39 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 4.9 tmtp? -63.57 -44.27 94.59 Favored 'General case' 0 C--N 1.326 -0.44 0 N-CA-C 109.915 -0.402 . . . . 0.0 109.915 179.66 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 10.4 tp10 -60.3 -49.56 77.12 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 115.95 -0.568 . . . . 0.0 110.154 176.261 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 14' ' ' TRP . . . . . 0.59 ' HH2' ' HD3' ' A' ' 77' ' ' ARG . 64.6 t90 -56.79 -49.2 76.05 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 115.431 -0.804 . . . . 0.0 110.614 177.121 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 15' ' ' TYR . . . . . 0.441 ' CE1' ' HB2' ' A' ' 31' ' ' ALA . 35.6 t80 -55.74 -50.83 69.32 Favored 'General case' 0 C--O 1.223 -0.297 0 CA-C-N 116.123 -0.49 . . . . 0.0 111.462 -179.827 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 41.1 mt-10 -62.45 -27.79 69.36 Favored 'General case' 0 C--N 1.327 -0.37 0 N-CA-C 111.71 0.263 . . . . 0.0 111.71 -176.994 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 17' ' ' HIS . . . . . . . . . . . . . 75.1 t60 -78.89 -43.91 23.87 Favored 'General case' 0 C--N 1.323 -0.554 0 CA-C-O 120.733 0.301 . . . . 0.0 110.396 178.264 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 18' ' ' LYS . . . . . 0.544 ' HG2' ' O ' ' A' ' 14' ' ' TRP . 24.9 mmmt -71.05 -25.3 62.58 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 121.248 0.547 . . . . 0.0 109.91 178.926 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 89.1 tttt -62.5 -16.68 57.01 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 115.484 -0.78 . . . . 0.0 111.007 -179.614 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 70.8 mm-40 -79.52 -28.59 41.35 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-O 120.725 0.297 . . . . 0.0 110.775 -179.993 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 28.3 m -100.94 -9.23 9.02 Favored 'Isoleucine or valine' 0 C--O 1.236 0.359 0 CA-C-O 120.838 0.352 . . . . 0.0 111.423 -177.612 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 22' ' ' TRP . . . . . . . . . . . . . 52.7 m0 -102.74 160.0 14.98 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-O 120.846 0.355 . . . . 0.0 110.25 177.808 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 5.8 p -77.32 133.71 38.7 Favored 'General case' 0 C--N 1.323 -0.567 0 N-CA-C 108.645 -0.872 . . . . 0.0 108.645 170.921 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 43.0 t -56.32 -38.52 55.59 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.421 0 N-CA-C 112.147 0.425 . . . . 0.0 112.147 -171.688 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -58.24 -51.92 55.68 Favored Glycine 0 N--CA 1.451 -0.358 0 C-N-CA 120.712 -0.756 . . . . 0.0 111.76 177.146 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 26' ' ' TYR . . . . . . . . . . . . . 82.0 t80 -66.85 -40.63 87.99 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-O 120.673 0.273 . . . . 0.0 110.868 178.377 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -57.9 -39.26 77.48 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.004 -179.077 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 8.5 m -72.34 -37.07 68.94 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-N 116.453 -0.34 . . . . 0.0 110.827 -179.832 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 72.7 mm-40 -63.64 -45.71 89.0 Favored 'General case' 0 C--O 1.234 0.259 0 CA-C-O 120.952 0.406 . . . . 0.0 110.065 176.848 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 9.4 tt -64.0 -47.48 80.13 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 115.806 -0.634 . . . . 0.0 110.049 178.87 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 31' ' ' ALA . . . . . 0.441 ' HB2' ' CE1' ' A' ' 15' ' ' TYR . . . -58.37 -44.3 88.82 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 115.859 -0.609 . . . . 0.0 111.253 -178.485 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 86.0 tttt -67.11 -41.33 86.43 Favored 'General case' 0 C--O 1.221 -0.413 0 C-N-CA 120.165 -0.614 . . . . 0.0 111.009 -178.247 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 33' ' ' MET . . . . . . . . . . . . . 24.3 ttp -60.03 -46.84 88.17 Favored 'General case' 0 N--CA 1.465 0.29 0 CA-C-O 121.238 0.542 . . . . 0.0 109.684 177.759 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 34' ' ' PHE . . . . . 0.467 ' CD2' HG13 ' A' ' 38' ' ' ILE . 26.7 t80 -57.96 -60.04 4.34 Favored 'General case' 0 C--O 1.219 -0.514 0 CA-C-N 115.097 -0.956 . . . . 0.0 109.236 177.456 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 35' ' ' ASP . . . . . 0.629 ' HA ' HD23 ' A' ' 39' ' ' LEU . 13.9 t70 -54.19 -46.66 72.47 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-N 116.003 -0.544 . . . . 0.0 111.831 -178.693 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 27.3 t70 -63.45 -31.72 72.96 Favored 'General case' 0 C--N 1.327 -0.38 0 N-CA-C 112.382 0.512 . . . . 0.0 112.382 -173.676 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 5.1 m-20 -99.4 -39.92 8.14 Favored 'General case' 0 C--N 1.328 -0.346 0 N-CA-C 111.83 0.307 . . . . 0.0 111.83 179.213 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 38' ' ' ILE . . . . . 0.49 HD13 HG11 ' A' ' 58' ' ' VAL . 25.8 mm -67.04 -44.99 87.91 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 CA-C-N 116.347 -0.388 . . . . 0.0 111.784 -177.086 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 39' ' ' LEU . . . . . 0.63 ' HA ' ' HA3' ' A' ' 43' ' ' GLY . 2.6 mm? -60.92 -51.9 76.11 Favored Pre-proline 0 C--N 1.326 -0.422 0 N-CA-C 113.421 0.897 . . . . 0.0 113.421 -171.703 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 40' ' ' PRO . . . . . 0.415 ' HD2' ' N ' ' A' ' 39' ' ' LEU . 44.4 Cg_endo -68.42 -3.6 11.3 Favored 'Trans proline' 0 C--N 1.35 0.657 0 C-N-CA 121.909 1.739 . . . . 0.0 113.184 -179.623 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 41' ' ' ILE . . . . . 0.636 HG22 HG23 ' A' ' 42' ' ' ILE . 36.3 mm -110.63 -56.11 4.6 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.376 0 CA-C-O 120.507 0.194 . . . . 0.0 111.369 179.76 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 42' ' ' ILE . . . . . 0.636 HG23 HG22 ' A' ' 41' ' ' ILE . 6.0 pt -136.2 4.17 0.92 Allowed 'Isoleucine or valine' 0 N--CA 1.467 0.404 0 N-CA-C 112.842 0.682 . . . . 0.0 112.842 -173.864 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 43' ' ' GLY . . . . . 0.63 ' HA3' ' HA ' ' A' ' 39' ' ' LEU . . . -59.65 -40.55 96.61 Favored Glycine 0 CA--C 1.51 -0.271 0 C-N-CA 120.507 -0.854 . . . . 0.0 113.262 -173.257 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -91.5 12.08 70.32 Favored Glycine 0 N--CA 1.441 -1.009 0 C-N-CA 120.645 -0.788 . . . . 0.0 112.338 -177.867 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 81.2 mt -96.76 152.49 18.62 Favored 'General case' 0 N--CA 1.449 -0.478 0 CA-C-N 116.886 0.343 . . . . 0.0 110.153 179.804 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 46' ' ' GLU . . . . . 0.558 ' O ' HG13 ' A' ' 50' ' ' ILE . 43.4 mt-10 -68.59 137.25 54.12 Favored 'General case' 0 C--N 1.324 -0.534 0 N-CA-C 108.766 -0.827 . . . . 0.0 108.766 174.597 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 47' ' ' ILE . . . . . 0.48 HD11 ' HA ' ' A' ' 82' ' ' PHE . 19.0 tt -61.96 -21.36 26.0 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.584 0 CA-C-O 121.424 0.63 . . . . 0.0 110.796 -177.313 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 42.8 mt-30 -86.71 -20.7 27.33 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 115.654 -0.703 . . . . 0.0 110.871 178.427 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 20.9 t70 -113.41 22.11 14.52 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-O 121.254 0.549 . . . . 0.0 111.092 -166.38 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 50' ' ' ILE . . . . . 0.558 HG13 ' O ' ' A' ' 46' ' ' GLU . 83.6 mt -88.94 128.31 41.14 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.045 179.778 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 51' ' ' GLU . . . . . 0.984 ' HB2' ' HB2' ' A' ' 54' ' ' GLN . 57.3 mm-40 -67.52 145.05 98.18 Favored Pre-proline 0 C--N 1.327 -0.398 0 CA-C-N 115.526 -0.761 . . . . 0.0 110.681 179.576 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 52' ' ' PRO . . . . . . . . . . . . . 44.9 Cg_exo -57.04 -45.14 37.97 Favored 'Trans proline' 0 C--N 1.342 0.23 0 C-N-CA 122.545 2.163 . . . . 0.0 112.114 176.738 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 53' ' ' MET . . . . . 0.43 ' HA ' ' HB3' ' A' ' 56' ' ' LEU . 85.1 mtp -78.32 -8.29 58.24 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 120.966 0.413 . . . . 0.0 110.699 179.459 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 54' ' ' GLN . . . . . 0.984 ' HB2' ' HB2' ' A' ' 51' ' ' GLU . 31.3 tp60 -81.46 -41.46 21.76 Favored 'General case' 0 C--N 1.324 -0.512 0 N-CA-C 108.818 -0.808 . . . . 0.0 108.818 176.868 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 28.8 tp -65.57 -37.42 86.62 Favored 'General case' 0 C--N 1.324 -0.531 0 CA-C-N 115.423 -0.808 . . . . 0.0 109.034 172.725 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 56' ' ' LEU . . . . . 0.525 HD22 ' O ' ' A' ' 56' ' ' LEU . 1.9 tm? -63.42 -34.73 78.38 Favored 'General case' 0 C--O 1.221 -0.44 0 CA-C-N 115.608 -0.724 . . . . 0.0 109.911 173.344 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 57' ' ' GLU . . . . . 0.475 ' HG3' ' NH2' ' A' ' 60' ' ' ARG . 28.4 tt0 -59.88 -36.35 76.74 Favored 'General case' 0 C--N 1.325 -0.465 0 N-CA-C 110.404 -0.221 . . . . 0.0 110.404 179.783 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 58' ' ' VAL . . . . . 0.508 ' O ' ' HB3' ' A' ' 61' ' ' ARG . 90.4 t -62.31 -57.98 9.63 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.381 0 CA-C-O 121.12 0.486 . . . . 0.0 110.995 173.639 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 59' ' ' ILE . . . . . 0.571 HG23 ' HB1' ' A' ' 71' ' ' ALA . 1.7 mp -58.24 -44.2 87.46 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.42 0 CA-C-N 116.043 -0.526 . . . . 0.0 110.716 -179.178 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 60' ' ' ARG . . . . . 0.475 ' NH2' ' HG3' ' A' ' 57' ' ' GLU . 34.0 ttp180 -62.03 -32.83 73.37 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 115.816 -0.629 . . . . 0.0 110.453 178.15 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 61' ' ' ARG . . . . . 0.508 ' HB3' ' O ' ' A' ' 58' ' ' VAL . 19.8 tpt85 -61.81 -35.56 78.57 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 115.82 -0.627 . . . . 0.0 110.235 176.991 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 62' ' ' PHE . . . . . . . . . . . . . 71.7 m-85 -75.34 -42.91 53.2 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.589 175.415 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 63' ' ' GLU . . . . . 0.406 ' HG3' ' O ' ' A' ' 59' ' ' ILE . 42.7 mt-10 -61.32 -29.41 69.86 Favored 'General case' 0 N--CA 1.465 0.288 0 CA-C-O 121.044 0.449 . . . . 0.0 111.026 179.317 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 35.9 t70 -61.6 -26.69 68.14 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-N 115.617 -0.72 . . . . 0.0 110.776 178.147 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 65' ' ' ARG . . . . . 0.42 ' NH1' ' HG3' ' A' ' 61' ' ' ARG . 2.6 mpp_? -102.99 -0.07 31.43 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.865 177.28 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 81.57 13.12 80.77 Favored Glycine 0 N--CA 1.447 -0.587 0 C-N-CA 120.458 -0.877 . . . . 0.0 111.779 179.548 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 67' ' ' ALA . . . . . 0.477 ' HB1' ' HB2' ' A' ' 70' ' ' ARG . . . -83.4 73.81 10.13 Favored 'General case' 0 C--N 1.321 -0.631 0 N-CA-C 109.738 -0.467 . . . . 0.0 109.738 178.223 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 68' ' ' MET . . . . . . . . . . . . . 38.7 mmm -71.72 -40.07 69.69 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-N 115.876 -0.602 . . . . 0.0 110.623 -173.093 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 19.6 mm-40 -69.83 -35.66 74.96 Favored 'General case' 0 C--N 1.323 -0.58 0 CA-C-N 115.85 -0.614 . . . . 0.0 110.019 179.498 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 70' ' ' ARG . . . . . 0.477 ' HB2' ' HB1' ' A' ' 67' ' ' ALA . 70.2 mtt180 -69.97 -34.24 73.13 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.253 176.887 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 71' ' ' ALA . . . . . 0.571 ' HB1' HG23 ' A' ' 59' ' ' ILE . . . -62.34 -49.36 75.9 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-O 120.97 0.414 . . . . 0.0 110.147 175.803 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 72' ' ' ASN . . . . . . . . . . . . . 29.5 m-80 -61.1 -36.99 81.15 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 115.814 -0.63 . . . . 0.0 110.828 175.398 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 85.0 tttt -63.71 -50.96 67.12 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 115.826 -0.625 . . . . 0.0 110.117 178.408 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -55.1 -49.76 70.9 Favored 'General case' 0 CA--C 1.52 -0.201 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.423 177.478 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 75.2 ttt180 -51.26 -46.6 62.44 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 115.114 -0.948 . . . . 0.0 111.776 179.51 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 45.1 ttm-85 -74.17 -44.03 55.06 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.545 -0.298 . . . . 0.0 111.399 -177.382 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 77' ' ' ARG . . . . . 0.59 ' HD3' ' HH2' ' A' ' 14' ' ' TRP . 2.2 mmp_? -60.26 -42.38 95.21 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.546 -0.297 . . . . 0.0 110.353 -179.869 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 78' ' ' CYS . . . . . . . . . . . . . 85.2 m -64.41 -39.12 93.23 Favored 'General case' 0 CA--C 1.523 -0.082 0 CA-C-N 116.427 -0.352 . . . . 0.0 110.465 177.843 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . -55.03 -36.93 61.71 Favored Glycine 0 C--N 1.333 0.38 0 C-N-CA 121.255 -0.498 . . . . 0.0 112.382 177.695 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 47.3 mt-10 -71.4 -36.29 71.31 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-O 120.501 0.191 . . . . 0.0 111.291 177.408 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 56.6 t -61.31 -46.74 96.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-O 121.062 0.458 . . . . 0.0 109.777 175.322 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 82' ' ' PHE . . . . . 0.48 ' HA ' HD11 ' A' ' 47' ' ' ILE . 67.2 m-85 -61.75 -41.22 97.39 Favored 'General case' 0 C--N 1.333 -0.14 0 CA-C-N 115.785 -0.643 . . . . 0.0 110.123 174.794 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 83' ' ' ARG . . . . . 0.479 ' O ' HG23 ' A' ' 87' ' ' VAL . 40.0 ttm180 -58.22 -46.72 85.38 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 115.746 -0.661 . . . . 0.0 111.122 -179.903 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 84' ' ' TYR . . . . . . . . . . . . . 68.2 t80 -60.43 -41.57 94.26 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-O 120.808 0.337 . . . . 0.0 110.114 178.416 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 85' ' ' ALA . . . . . 0.453 ' HA ' HG22 ' A' ' 88' ' ' THR . . . -63.53 -32.55 74.04 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 115.943 -0.571 . . . . 0.0 111.066 178.82 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 86' ' ' ILE . . . . . 0.473 HG13 ' O ' ' A' ' 82' ' ' PHE . 75.2 mt -71.28 -44.25 73.23 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.4 0 CA-C-O 120.704 0.288 . . . . 0.0 110.237 176.296 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 87' ' ' VAL . . . . . 0.479 HG23 ' O ' ' A' ' 83' ' ' ARG . 92.5 t -60.73 -41.19 87.44 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.237 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.036 179.407 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 88' ' ' THR . . . . . 0.526 HG23 ' HG3' ' A' ' 90' ' ' ARG . 15.2 t -81.99 5.87 17.87 Favored 'General case' 0 CA--C 1.537 0.477 0 CA-C-O 121.007 0.432 . . . . 0.0 110.908 179.981 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . 67.66 30.45 74.75 Favored Glycine 0 C--N 1.329 0.18 0 C-N-CA 121.296 -0.478 . . . . 0.0 113.461 173.53 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 90' ' ' ARG . . . . . 0.526 ' HG3' HG23 ' A' ' 88' ' ' THR . 99.6 mtt180 -99.82 -41.2 7.35 Favored 'General case' 0 C--N 1.322 -0.601 0 CA-C-O 121.035 0.445 . . . . 0.0 110.25 176.785 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . -104.33 136.56 43.69 Favored 'General case' 0 C--N 1.32 -0.688 0 CA-C-N 115.822 -0.626 . . . . 0.0 110.278 179.028 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 62.4 tttp -101.42 -30.21 11.57 Favored 'General case' 0 C--N 1.32 -0.709 0 CA-C-O 121.333 0.587 . . . . 0.0 109.809 179.846 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 93' ' ' TYR . . . . . . . . . . . . . 93.0 t80 -146.88 135.55 22.11 Favored 'General case' 0 C--N 1.321 -0.664 0 CA-C-N 115.416 -0.811 . . . . 0.0 110.276 -177.05 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 94' ' ' ASN . . . . . . . . . . . . . 26.2 p-10 -112.37 133.78 21.7 Favored Pre-proline 0 C--N 1.32 -0.704 0 CA-C-N 115.961 -0.563 . . . . 0.0 109.798 176.503 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 95' ' ' PRO . . . . . 0.41 ' HA ' ' OD1' ' A' ' 98' ' ' ASP . 73.8 Cg_endo -76.99 36.9 0.55 Allowed 'Trans proline' 0 CA--C 1.532 0.379 0 C-N-CA 122.705 2.27 . . . . 0.0 112.905 -177.304 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 96' ' ' ALA . . . . . 0.523 ' N ' ' HD2' ' A' ' 97' ' ' PRO . . . -70.45 -46.53 19.19 Favored Pre-proline 0 CA--C 1.537 0.471 0 CA-C-N 116.324 -0.398 . . . . 0.0 111.816 179.754 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 97' ' ' PRO . . . . . 0.523 ' HD2' ' N ' ' A' ' 96' ' ' ALA . 20.5 Cg_endo -63.06 -34.2 70.78 Favored 'Trans proline' 0 C--N 1.355 0.92 0 C-N-CA 121.686 1.591 . . . . 0.0 111.723 174.499 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 98' ' ' ASP . . . . . 0.41 ' OD1' ' HA ' ' A' ' 95' ' ' PRO . 3.8 m-20 -66.04 -44.31 85.01 Favored 'General case' 0 CA--C 1.518 -0.265 0 CA-C-N 115.818 -0.628 . . . . 0.0 109.547 176.736 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 99' ' ' LEU . . . . . 0.435 ' HB3' ' O ' ' A' ' 96' ' ' ALA . 1.7 tm? -51.67 -46.44 63.79 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 114.978 -1.01 . . . . 0.0 110.313 174.528 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 100' ' ' ALA . . . . . 0.53 ' O ' ' HG3' ' A' ' 104' ' ' LYS . . . -60.96 -52.18 66.1 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.416 -179.339 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 13.3 t70 -66.36 -42.12 88.49 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.066 -174.966 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -61.52 -44.95 96.13 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 115.995 -0.548 . . . . 0.0 110.656 178.232 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 103' ' ' MET . . . . . . . . . . . . . 29.5 ttm -55.39 -35.51 65.39 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 115.986 -0.552 . . . . 0.0 110.954 177.798 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 104' ' ' LYS . . . . . 0.53 ' HG3' ' O ' ' A' ' 100' ' ' ALA . 94.0 mttt -68.58 -61.34 1.87 Allowed 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 115.926 -0.579 . . . . 0.0 111.071 -179.939 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 105' ' ' GLY . . . . . . . . . . . . . . . -75.2 -22.62 75.91 Favored Glycine 0 CA--C 1.52 0.355 0 CA-C-N 115.8 -0.637 . . . . 0.0 113.956 -171.207 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 106' ' ' TYR . . . . . . . . . . . . . 84.5 t80 -62.91 -14.65 49.43 Favored 'General case' 0 N--CA 1.467 0.375 0 CA-C-N 117.024 0.412 . . . . 0.0 111.793 -177.071 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 107' ' ' ARG . . . . . . . . . . . . . 78.7 mtm180 -84.15 -2.74 57.37 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 116.55 -0.295 . . . . 0.0 111.349 -177.439 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 108' ' ' LYS . . . . . 0.452 ' HG2' ' O ' ' A' ' 108' ' ' LYS . 61.8 tttp 61.08 36.15 18.47 Favored 'General case' 0 CA--C 1.535 0.394 0 CA-C-O 121.749 0.785 . . . . 0.0 111.292 177.903 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 109' ' ' LYS . . . . . . . . . . . . . 98.4 mttt -118.29 14.29 13.83 Favored 'General case' 0 C--N 1.32 -0.689 0 N-CA-C 109.068 -0.715 . . . . 0.0 109.068 173.345 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 110' ' ' ASN . . . . . . . . . . . . . 7.3 t30 -153.85 120.21 5.47 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-N 115.013 -0.994 . . . . 0.0 109.618 -179.178 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 111' ' ' LEU . . . . . . . . . . . . . 48.1 tp -105.11 146.88 28.55 Favored 'General case' 0 C--N 1.322 -0.595 0 CA-C-O 120.7 0.286 . . . . 0.0 110.508 -178.174 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 112' ' ' GLU . . . . . 0.488 ' HB2' ' CE1' ' A' ' 115' ' ' HIS . 42.2 mt-10 -64.63 129.61 40.46 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.432 177.259 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 113' ' ' HIS . . . . . . . . . . . . . 55.0 m80 -97.39 -17.22 19.84 Favored 'General case' 0 C--N 1.322 -0.599 0 CA-C-O 121.291 0.567 . . . . 0.0 109.545 177.344 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 114' ' ' HIS . . . . . . . . . . . . . 16.8 m80 -133.81 113.12 11.92 Favored 'General case' 0 C--N 1.324 -0.528 0 CA-C-N 115.287 -0.869 . . . . 0.0 109.377 172.652 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 115' ' ' HIS . . . . . 0.488 ' CE1' ' HB2' ' A' ' 112' ' ' GLU . 85.8 m-70 -96.57 131.81 42.83 Favored 'General case' 0 C--N 1.32 -0.687 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.797 -178.822 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 116' ' ' HIS . . . . . . . . . . . . . 26.2 m170 -98.55 -68.28 0.81 Allowed 'General case' 0 C--N 1.322 -0.613 0 N-CA-C 108.498 -0.927 . . . . 0.0 108.498 172.598 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 117' ' ' HIS . . . . . . . . . . . . . 16.0 p-80 171.87 -30.38 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 114.329 -1.305 . . . . 0.0 108.053 175.151 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 118' ' ' HIS . . . . . . . . . . . . . 1.6 p80 . . . . . 0 C--O 1.246 0.882 0 N-CA-C 107.602 -1.258 . . . . 0.0 107.602 167.457 . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' 1' ' ' SER . . . . . 0.682 ' HA ' ' OE1' ' A' ' 46' ' ' GLU . 21.0 t . . . . . 0 N--CA 1.477 0.887 0 N-CA-C 109.791 -0.448 . . . . 0.0 109.791 . . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 42.1 m -150.47 161.72 41.98 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-O 120.782 0.325 . . . . 0.0 110.684 -174.418 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 3' ' ' ASN . . . . . . . . . . . . . 16.2 m120 -66.08 -30.72 71.28 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.332 178.384 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 4' ' ' ASN . . . . . . . . . . . . . 65.1 t30 -76.87 -1.32 27.81 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-O 121.306 0.574 . . . . 0.0 110.711 179.644 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 3.7 m-20 -101.44 1.08 37.89 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.041 -0.527 . . . . 0.0 110.687 178.984 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 6' ' ' SER . . . . . 0.561 ' HA ' ' HA ' ' A' ' 46' ' ' GLU . 91.2 p -76.77 155.52 33.08 Favored 'General case' 0 C--O 1.237 0.406 0 N-CA-C 109.868 -0.419 . . . . 0.0 109.868 179.926 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 7' ' ' PHE . . . . . 0.519 ' HB2' HD11 ' A' ' 50' ' ' ILE . 33.1 t80 -61.56 -38.74 88.6 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.046 -179.779 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 33.1 p -58.13 -45.33 87.51 Favored 'General case' 0 C--O 1.236 0.366 0 CA-C-N 116.31 -0.405 . . . . 0.0 111.409 178.375 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -64.81 -51.63 61.12 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.002 -0.544 . . . . 0.0 111.094 -177.58 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 54.4 mt -68.34 -33.51 60.84 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 CA-C-N 115.953 -0.567 . . . . 0.0 110.84 -178.222 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 11' ' ' TYR . . . . . 0.532 ' OH ' ' HA ' ' A' ' 31' ' ' ALA . 89.6 t80 -62.51 -48.83 77.83 Favored 'General case' 0 C--O 1.22 -0.449 0 CA-C-N 116.508 -0.315 . . . . 0.0 110.992 179.142 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 62.3 tttm -64.44 -37.25 86.89 Favored 'General case' 0 C--N 1.332 -0.178 0 C-N-CA 120.554 -0.458 . . . . 0.0 110.548 -178.855 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 37.4 tt0 -59.62 -50.08 75.25 Favored 'General case' 0 C--N 1.323 -0.556 0 CA-C-O 121.627 0.727 . . . . 0.0 109.903 177.593 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 14' ' ' TRP . . . . . . . . . . . . . 68.0 t90 -65.13 -42.37 93.95 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-N 114.97 -1.014 . . . . 0.0 110.897 176.565 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 15' ' ' TYR . . . . . 0.422 ' CE1' ' HB2' ' A' ' 31' ' ' ALA . 45.1 t80 -60.4 -49.05 79.13 Favored 'General case' 0 C--O 1.223 -0.302 0 CA-C-N 116.027 -0.533 . . . . 0.0 111.468 179.473 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 2.4 tp10 -60.1 -39.24 85.5 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-O 121.068 0.461 . . . . 0.0 110.282 -177.259 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 17' ' ' HIS . . . . . . . . . . . . . 57.7 t60 -68.45 -47.72 66.43 Favored 'General case' 0 CA--C 1.535 0.396 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.438 177.084 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 29.7 mmtm -68.52 -14.96 63.36 Favored 'General case' 0 N--CA 1.466 0.326 0 CA-C-N 116.355 -0.384 . . . . 0.0 111.601 179.457 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 87.3 tttt -64.42 -21.36 66.62 Favored 'General case' 0 C--N 1.323 -0.569 0 CA-C-N 115.857 -0.611 . . . . 0.0 110.842 -179.027 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 72.8 mt-30 -92.49 -3.14 55.62 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 116.295 -0.411 . . . . 0.0 110.436 178.55 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 47.6 t -97.14 -47.98 12.53 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 CA-C-N 116.081 -0.509 . . . . 0.0 110.373 -178.351 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 22' ' ' TRP . . . . . . . . . . . . . 5.9 m0 -93.46 178.01 5.84 Favored 'General case' 0 C--N 1.323 -0.568 0 CA-C-N 115.968 -0.56 . . . . 0.0 110.079 179.418 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 24.2 p -81.61 142.95 32.31 Favored 'General case' 0 C--N 1.325 -0.482 0 N-CA-C 109.383 -0.599 . . . . 0.0 109.383 174.698 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 14.6 p -58.17 -34.35 49.32 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.293 0 N-CA-C 111.722 0.267 . . . . 0.0 111.722 -175.904 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -63.44 -50.32 63.2 Favored Glycine 0 N--CA 1.448 -0.532 0 C-N-CA 120.597 -0.811 . . . . 0.0 111.882 178.207 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 26' ' ' TYR . . . . . . . . . . . . . 83.0 t80 -70.0 -38.88 76.08 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-O 120.624 0.25 . . . . 0.0 110.502 -179.993 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -61.68 -39.67 92.23 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.274 -0.421 . . . . 0.0 111.091 -179.833 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 87.7 m -65.8 -42.82 90.24 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 116.657 -0.247 . . . . 0.0 110.603 178.581 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 50.5 mt-10 -64.98 -44.67 88.55 Favored 'General case' 0 C--N 1.332 -0.168 0 CA-C-O 120.802 0.334 . . . . 0.0 110.496 176.588 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 30' ' ' LEU . . . . . 0.687 HD11 ' HE ' ' A' ' 77' ' ' ARG . 9.9 tt -56.59 -48.55 77.17 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 115.674 -0.694 . . . . 0.0 109.999 177.742 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 31' ' ' ALA . . . . . 0.532 ' HA ' ' OH ' ' A' ' 11' ' ' TYR . . . -65.69 -37.34 86.18 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 116.002 -0.545 . . . . 0.0 110.989 179.399 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 66.5 tttm -66.64 -35.71 80.82 Favored 'General case' 0 CA--C 1.521 -0.159 0 CA-C-O 120.789 0.328 . . . . 0.0 110.473 179.754 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 33' ' ' MET . . . . . . . . . . . . . 54.7 ttp -59.93 -39.36 85.24 Favored 'General case' 0 C--N 1.325 -0.493 0 N-CA-C 109.532 -0.544 . . . . 0.0 109.532 176.802 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 34' ' ' PHE . . . . . 0.684 ' HA ' HD13 ' A' ' 38' ' ' ILE . 28.6 m-85 -75.34 -39.41 59.4 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 115.807 -0.633 . . . . 0.0 111.14 175.895 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 35' ' ' ASP . . . . . 0.696 ' O ' ' HB2' ' A' ' 39' ' ' LEU . 44.6 m-20 -54.86 -57.22 12.49 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-O 121.095 0.474 . . . . 0.0 110.339 175.945 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 11.7 t70 -70.98 -38.65 72.75 Favored 'General case' 0 C--N 1.321 -0.653 0 CA-C-N 115.439 -0.8 . . . . 0.0 112.687 -169.126 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 44.0 m-20 -108.62 -19.93 13.26 Favored 'General case' 0 C--N 1.329 -0.32 0 N-CA-C 113.13 0.789 . . . . 0.0 113.13 -173.793 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 38' ' ' ILE . . . . . 0.684 HD13 ' HA ' ' A' ' 34' ' ' PHE . 1.3 mp -96.41 -42.18 11.94 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.42 0 O-C-N 121.895 -0.503 . . . . 0.0 111.468 179.126 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 39' ' ' LEU . . . . . 0.696 ' HB2' ' O ' ' A' ' 35' ' ' ASP . 3.3 mm? -63.12 -46.6 86.35 Favored Pre-proline 0 CA--C 1.54 0.571 0 N-CA-C 113.105 0.78 . . . . 0.0 113.105 -173.843 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 40' ' ' PRO . . . . . 0.472 ' HD3' ' O ' ' A' ' 35' ' ' ASP . 17.8 Cg_exo -69.01 -7.49 20.99 Favored 'Trans proline' 0 C--N 1.354 0.857 0 C-N-CA 121.931 1.754 . . . . 0.0 112.529 177.959 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 41' ' ' ILE . . . . . 0.645 HG22 HG23 ' A' ' 42' ' ' ILE . 48.2 mm -102.34 -63.03 1.85 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.389 0 CA-C-N 116.49 -0.323 . . . . 0.0 110.66 179.606 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 42' ' ' ILE . . . . . 0.645 HG23 HG22 ' A' ' 41' ' ' ILE . 12.2 pt -127.58 13.05 3.34 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 N-CA-C 111.829 0.307 . . . . 0.0 111.829 -176.089 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 43' ' ' GLY . . . . . 0.529 ' HA3' HD13 ' A' ' 39' ' ' LEU . . . -54.64 -50.04 59.0 Favored Glycine 0 N--CA 1.452 -0.284 0 C-N-CA 121.27 -0.49 . . . . 0.0 113.558 -172.642 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -94.21 15.7 62.63 Favored Glycine 0 N--CA 1.449 -0.488 0 C-N-CA 120.608 -0.806 . . . . 0.0 112.81 -176.554 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 45' ' ' LEU . . . . . 0.419 HD12 HG22 ' A' ' 42' ' ' ILE . 93.7 mt -93.43 146.4 23.79 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 117.1 0.45 . . . . 0.0 110.191 179.731 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 46' ' ' GLU . . . . . 0.682 ' OE1' ' HA ' ' A' ' 1' ' ' SER . 35.2 mt-10 -68.35 136.46 53.41 Favored 'General case' 0 C--N 1.325 -0.481 0 N-CA-C 108.881 -0.785 . . . . 0.0 108.881 175.699 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 47' ' ' ILE . . . . . 0.42 HD13 ' HB2' ' A' ' 85' ' ' ALA . 15.1 tt -60.3 -23.22 27.18 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.701 0 CA-C-O 120.885 0.374 . . . . 0.0 111.696 -174.373 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 53.0 tt0 -94.96 -6.57 42.12 Favored 'General case' 0 CA--C 1.535 0.379 0 CA-C-O 121.24 0.543 . . . . 0.0 110.568 178.571 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 24.7 t70 -107.61 -11.68 15.4 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-O 121.18 0.514 . . . . 0.0 110.513 -177.515 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 50' ' ' ILE . . . . . 0.63 HG13 ' O ' ' A' ' 46' ' ' GLU . 85.9 mt -60.05 128.6 21.33 Favored 'Isoleucine or valine' 0 C--O 1.233 0.232 0 CA-C-N 115.588 -0.733 . . . . 0.0 111.432 -178.34 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 51' ' ' GLU . . . . . 0.421 ' HB2' ' CB ' ' A' ' 54' ' ' GLN . 4.0 mm-40 -72.24 130.03 86.79 Favored Pre-proline 0 C--N 1.323 -0.584 0 CA-C-N 115.265 -0.88 . . . . 0.0 109.97 178.969 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 52' ' ' PRO . . . . . . . . . . . . . 17.9 Cg_endo -60.17 -34.88 93.87 Favored 'Trans proline' 0 C--N 1.341 0.159 0 C-N-CA 122.475 2.117 . . . . 0.0 111.684 178.723 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 53' ' ' MET . . . . . . . . . . . . . 63.4 mtt -75.32 -22.66 57.49 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 115.814 -0.63 . . . . 0.0 110.37 179.39 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 54' ' ' GLN . . . . . 0.538 ' O ' ' HB3' ' A' ' 57' ' ' GLU . 39.9 tt0 -87.31 -25.07 24.09 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-O 121.248 0.546 . . . . 0.0 109.663 178.858 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 38.2 tp -66.35 -30.68 71.13 Favored 'General case' 0 C--N 1.324 -0.522 0 N-CA-C 108.4 -0.963 . . . . 0.0 108.4 169.256 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 3.0 tm? -68.92 -35.35 76.73 Favored 'General case' 0 C--O 1.224 -0.242 0 CA-C-N 115.416 -0.811 . . . . 0.0 109.414 173.022 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 57' ' ' GLU . . . . . 0.538 ' HB3' ' O ' ' A' ' 54' ' ' GLN . 8.7 tp10 -56.02 -35.63 67.05 Favored 'General case' 0 CA--C 1.535 0.383 0 CA-C-O 120.788 0.327 . . . . 0.0 110.196 175.206 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 58' ' ' VAL . . . . . 0.637 ' O ' ' HB3' ' A' ' 61' ' ' ARG . 72.1 t -64.26 -56.84 14.2 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.272 0 CA-C-O 121.394 0.616 . . . . 0.0 111.01 174.521 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 59' ' ' ILE . . . . . 0.564 HG23 ' HB1' ' A' ' 71' ' ' ALA . 1.7 mp -60.07 -39.86 81.62 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.652 0 CA-C-N 115.834 -0.621 . . . . 0.0 110.725 -179.022 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 51.5 ttp85 -73.22 -20.36 60.88 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-N 115.86 -0.609 . . . . 0.0 110.547 -179.796 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 61' ' ' ARG . . . . . 0.637 ' HB3' ' O ' ' A' ' 58' ' ' VAL . 24.3 tpt180 -62.95 -45.04 94.34 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 115.92 -0.582 . . . . 0.0 109.489 172.238 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 62' ' ' PHE . . . . . . . . . . . . . 98.6 m-85 -70.78 -31.9 68.84 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 115.747 -0.66 . . . . 0.0 110.639 175.565 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 36.1 tt0 -56.86 -40.05 75.43 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 115.803 -0.635 . . . . 0.0 111.056 178.819 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 22.5 t70 -56.5 -38.02 71.21 Favored 'General case' 0 N--CA 1.464 0.235 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.124 -179.937 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 67.2 mtm-85 -92.7 7.36 43.86 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.919 -177.692 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 72.85 15.71 78.16 Favored Glycine 0 N--CA 1.45 -0.419 0 C-N-CA 121.017 -0.611 . . . . 0.0 112.787 177.677 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 67' ' ' ALA . . . . . 0.595 ' HB1' ' HB2' ' A' ' 70' ' ' ARG . . . -84.13 79.19 9.6 Favored 'General case' 0 C--N 1.322 -0.604 0 CA-C-O 120.988 0.423 . . . . 0.0 110.334 -179.234 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 68' ' ' MET . . . . . 0.437 ' HA ' ' CE ' ' A' ' 68' ' ' MET . 14.5 mmt -70.08 -48.35 58.11 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-N 115.971 -0.558 . . . . 0.0 110.928 -176.016 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 42.3 mt-10 -63.41 -43.27 98.01 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 116.543 -0.299 . . . . 0.0 110.846 179.162 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 70' ' ' ARG . . . . . 0.595 ' HB2' ' HB1' ' A' ' 67' ' ' ALA . 58.4 mtt-85 -65.91 -36.68 84.07 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.593 -0.276 . . . . 0.0 111.074 179.448 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 71' ' ' ALA . . . . . 0.564 ' HB1' HG23 ' A' ' 59' ' ' ILE . . . -61.27 -47.95 83.65 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 121.138 0.494 . . . . 0.0 110.777 178.08 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 72' ' ' ASN . . . . . . . . . . . . . 58.2 m-80 -72.1 -30.69 65.33 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.862 179.576 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 28.3 ttpt -69.84 -33.1 71.84 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.315 -0.402 . . . . 0.0 109.977 176.614 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -62.13 -49.23 76.7 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.034 -0.53 . . . . 0.0 109.735 173.105 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 75' ' ' ARG . . . . . 0.403 ' HG3' ' CD1' ' A' ' 99' ' ' LEU . 6.5 ttm180 -56.38 -49.84 73.29 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-N 115.611 -0.722 . . . . 0.0 110.839 178.76 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 47.1 ttm-85 -58.76 -46.47 87.39 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 115.849 -0.614 . . . . 0.0 111.012 -176.708 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 77' ' ' ARG . . . . . 0.687 ' HE ' HD11 ' A' ' 30' ' ' LEU . 46.5 mtt85 -72.65 -37.87 67.86 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 116.054 -0.521 . . . . 0.0 111.628 -177.792 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 78' ' ' CYS . . . . . . . . . . . . . 82.6 m -60.44 -44.6 95.65 Favored 'General case' 0 C--N 1.327 -0.41 0 N-CA-C 109.328 -0.619 . . . . 0.0 109.328 173.376 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . -58.5 -35.48 80.22 Favored Glycine 0 N--CA 1.447 -0.591 0 CA-C-N 115.798 -0.637 . . . . 0.0 112.444 176.925 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 41.4 tt0 -69.12 -37.5 78.38 Favored 'General case' 0 C--N 1.332 -0.174 0 N-CA-C 109.993 -0.373 . . . . 0.0 109.993 177.886 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 81' ' ' VAL . . . . . 0.49 HG23 ' O ' ' A' ' 77' ' ' ARG . 68.8 t -64.23 -44.35 97.41 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.176 -0.465 . . . . 0.0 109.968 175.159 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 82' ' ' PHE . . . . . 0.485 ' HB3' ' HB3' ' A' ' 94' ' ' ASN . 45.9 m-85 -58.43 -46.48 86.41 Favored 'General case' 0 N--CA 1.462 0.143 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.366 174.334 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 83' ' ' ARG . . . . . 0.519 ' O ' HG23 ' A' ' 87' ' ' VAL . 37.3 ttt180 -56.19 -50.11 72.14 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 115.802 -0.636 . . . . 0.0 110.474 177.28 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 84' ' ' TYR . . . . . . . . . . . . . 53.1 t80 -61.16 -37.41 82.78 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 115.825 -0.625 . . . . 0.0 110.709 -179.393 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 85' ' ' ALA . . . . . 0.473 ' HA ' HG22 ' A' ' 88' ' ' THR . . . -65.16 -36.35 83.94 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.294 -0.412 . . . . 0.0 111.06 177.708 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 86' ' ' ILE . . . . . 0.477 HG13 ' O ' ' A' ' 82' ' ' PHE . 76.4 mt -68.71 -34.87 67.17 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 CA-C-O 121.018 0.437 . . . . 0.0 110.155 177.131 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 87' ' ' VAL . . . . . 0.519 HG23 ' O ' ' A' ' 83' ' ' ARG . 76.4 t -68.19 -44.64 84.03 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.399 0 CA-C-N 116.065 -0.516 . . . . 0.0 110.925 178.403 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 88' ' ' THR . . . . . 0.484 HG23 ' HG3' ' A' ' 90' ' ' ARG . 9.8 t -78.98 -11.68 60.01 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.819 0.342 . . . . 0.0 111.139 -179.97 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . 88.8 19.33 51.91 Favored Glycine 0 N--CA 1.451 -0.36 0 C-N-CA 120.758 -0.734 . . . . 0.0 113.77 174.157 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 90' ' ' ARG . . . . . 0.484 ' HG3' HG23 ' A' ' 88' ' ' THR . 74.3 mtt180 -88.91 -18.17 28.07 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-N 117.152 0.476 . . . . 0.0 110.287 178.813 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . -137.61 158.07 45.17 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 115.862 -0.608 . . . . 0.0 109.829 177.497 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 88.1 tttt -106.18 -50.17 3.21 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-O 121.036 0.445 . . . . 0.0 110.504 -179.987 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 93' ' ' TYR . . . . . . . . . . . . . 0.0 OUTLIER -127.2 143.18 51.31 Favored 'General case' 0 C--N 1.323 -0.568 0 CA-C-N 115.905 -0.589 . . . . 0.0 109.93 -178.961 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 94' ' ' ASN . . . . . 0.485 ' HB3' ' HB3' ' A' ' 82' ' ' PHE . 17.6 p-10 -102.22 125.11 37.46 Favored Pre-proline 0 C--N 1.323 -0.57 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.159 179.516 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 95' ' ' PRO . . . . . . . . . . . . . 57.9 Cg_endo -71.9 36.02 0.31 Allowed 'Trans proline' 0 CA--C 1.532 0.394 0 C-N-CA 123.128 2.552 . . . . 0.0 113.085 -178.946 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 96' ' ' ALA . . . . . 0.535 ' N ' ' HD2' ' A' ' 97' ' ' PRO . . . -70.56 -48.1 17.31 Favored Pre-proline 0 CA--C 1.537 0.463 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.576 179.961 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 97' ' ' PRO . . . . . 0.535 ' HD2' ' N ' ' A' ' 96' ' ' ALA . 19.5 Cg_endo -60.03 -38.93 74.61 Favored 'Trans proline' 0 C--N 1.357 1.014 0 C-N-CA 121.779 1.652 . . . . 0.0 111.637 174.903 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 6.6 m-20 -66.42 -37.8 86.0 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 115.756 -0.657 . . . . 0.0 110.474 177.64 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 99' ' ' LEU . . . . . 0.409 ' C ' HD13 ' A' ' 99' ' ' LEU . 2.6 tm? -58.83 -50.06 75.37 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.011 -0.54 . . . . 0.0 110.024 175.823 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 100' ' ' ALA . . . . . 0.464 ' O ' ' HG3' ' A' ' 104' ' ' LYS . . . -62.18 -44.66 96.09 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.077 -0.511 . . . . 0.0 110.815 -179.315 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 38.3 t70 -65.25 -40.78 94.45 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.033 -0.53 . . . . 0.0 111.036 -179.235 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -64.93 -42.76 94.4 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 115.946 -0.57 . . . . 0.0 110.456 177.939 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 103' ' ' MET . . . . . . . . . . . . . 44.0 ttm -53.23 -38.26 62.79 Favored 'General case' 0 C--N 1.331 -0.2 0 CA-C-O 121.108 0.48 . . . . 0.0 110.65 177.579 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 104' ' ' LYS . . . . . 0.464 ' HG3' ' O ' ' A' ' 100' ' ' ALA . 84.6 mttt -72.21 -56.82 4.89 Favored 'General case' 0 C--N 1.322 -0.623 0 CA-C-N 115.851 -0.613 . . . . 0.0 111.026 179.576 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 105' ' ' GLY . . . . . . . . . . . . . . . -67.19 -35.39 88.31 Favored Glycine 0 CA--C 1.518 0.25 0 CA-C-N 115.914 -0.584 . . . . 0.0 113.562 -174.374 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 106' ' ' TYR . . . . . . . . . . . . . 42.7 t80 -64.99 -27.33 68.76 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-O 120.998 0.428 . . . . 0.0 111.128 -176.44 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 107' ' ' ARG . . . . . . . . . . . . . 74.9 mtm180 -73.07 -20.74 60.9 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 116.53 -0.304 . . . . 0.0 111.208 -179.954 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 108' ' ' LYS . . . . . . . . . . . . . 42.9 mmtm -79.63 -46.23 17.61 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-O 120.862 0.363 . . . . 0.0 110.126 175.881 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 109' ' ' LYS . . . . . . . . . . . . . 54.7 tttm -146.77 134.0 20.57 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 115.949 -0.569 . . . . 0.0 110.622 179.312 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 110' ' ' ASN . . . . . . . . . . . . . 20.7 m-80 -69.12 135.93 51.46 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 115.998 -0.546 . . . . 0.0 109.73 174.256 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 111' ' ' LEU . . . . . . . . . . . . . 80.8 mt -98.1 110.9 23.4 Favored 'General case' 0 C--N 1.319 -0.743 0 CA-C-N 116.357 -0.383 . . . . 0.0 110.132 -179.719 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 112' ' ' GLU . . . . . . . . . . . . . 3.5 mp0 -63.16 102.65 0.4 Allowed 'General case' 0 C--N 1.325 -0.463 0 CA-C-N 115.499 -0.773 . . . . 0.0 111.672 -175.976 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 113' ' ' HIS . . . . . . . . . . . . . 26.8 m170 -109.83 96.91 6.55 Favored 'General case' 0 C--N 1.321 -0.655 0 N-CA-C 108.806 -0.812 . . . . 0.0 108.806 171.695 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 114' ' ' HIS . . . . . . . . . . . . . 3.8 t60 -71.9 -34.38 69.08 Favored 'General case' 0 C--N 1.322 -0.592 0 N-CA-C 109.865 -0.42 . . . . 0.0 109.865 -176.284 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 115' ' ' HIS . . . . . . . . . . . . . 23.4 m-70 -94.69 106.63 18.62 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 116.071 -0.513 . . . . 0.0 109.962 175.723 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 116' ' ' HIS . . . . . . . . . . . . . 71.6 m80 -91.22 127.69 36.75 Favored 'General case' 0 C--N 1.319 -0.733 0 CA-C-N 116.139 -0.482 . . . . 0.0 109.861 178.999 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 117' ' ' HIS . . . . . . . . . . . . . 2.9 m170 -78.64 128.24 33.21 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-O 120.876 0.369 . . . . 0.0 111.16 -178.895 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 118' ' ' HIS . . . . . . . . . . . . . 90.4 m-70 . . . . . 0 C--O 1.247 0.922 0 CA-C-O 118.607 -0.711 . . . . 0.0 109.972 177.233 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 7.0 m-20 . . . . . 0 C--O 1.231 0.088 0 CA-C-O 120.546 0.212 . . . . 0.0 111.393 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 6' ' ' SER . . . . . 0.583 ' HA ' ' HA ' ' A' ' 46' ' ' GLU . 73.4 m -69.21 143.91 53.86 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 120.579 0.228 . . . . 0.0 110.49 177.732 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 7' ' ' PHE . . . . . . . . . . . . . 25.0 t80 -58.44 -48.3 81.17 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.014 -0.539 . . . . 0.0 111.453 -173.26 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 53.9 m -54.38 -40.59 68.32 Favored 'General case' 0 N--CA 1.465 0.275 0 N-CA-C 111.905 0.335 . . . . 0.0 111.905 179.887 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -62.53 -50.66 70.46 Favored 'General case' 0 C--O 1.236 0.346 0 CA-C-O 121.078 0.466 . . . . 0.0 110.784 -178.586 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 41.0 mt -68.49 -36.91 76.77 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.441 0 CA-C-N 115.752 -0.658 . . . . 0.0 110.286 -179.428 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 88.5 t80 -60.05 -42.29 94.14 Favored 'General case' 0 C--O 1.221 -0.429 0 CA-C-N 115.689 -0.687 . . . . 0.0 110.467 178.103 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 83.4 tttt -62.6 -43.65 98.27 Favored 'General case' 0 C--N 1.328 -0.327 0 C-N-CA 121.233 -0.187 . . . . 0.0 110.937 -179.826 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 95.7 mt-10 -60.29 -48.25 82.54 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-O 121.307 0.575 . . . . 0.0 110.42 178.419 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 14' ' ' TRP . . . . . 0.445 ' CH2' ' HH2' ' A' ' 22' ' ' TRP . 63.2 t90 -64.24 -42.51 96.49 Favored 'General case' 0 C--N 1.323 -0.571 0 CA-C-N 115.524 -0.762 . . . . 0.0 110.763 178.029 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 15' ' ' TYR . . . . . . . . . . . . . 16.9 t80 -60.02 -51.77 68.23 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 115.918 -0.583 . . . . 0.0 111.564 179.769 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 16' ' ' GLU . . . . . 0.433 ' HA ' ' HE2' ' A' ' 19' ' ' LYS . 28.6 mt-10 -68.23 -22.76 64.76 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-O 120.893 0.378 . . . . 0.0 111.181 -177.844 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 17' ' ' HIS . . . . . . . . . . . . . 30.3 t-80 -73.57 -48.38 33.32 Favored 'General case' 0 C--N 1.323 -0.544 0 N-CA-C 109.233 -0.655 . . . . 0.0 109.233 175.148 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 40.8 mmtm -70.85 -18.04 62.72 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 115.661 -0.7 . . . . 0.0 111.379 179.087 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 19' ' ' LYS . . . . . 0.433 ' HE2' ' HA ' ' A' ' 16' ' ' GLU . 36.4 ttpt -62.14 -21.68 65.24 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-O 121.184 0.516 . . . . 0.0 110.825 178.756 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 81.8 mt-30 -90.26 1.86 56.05 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.659 178.985 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 61.1 t -110.81 -49.49 6.5 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 CA-C-N 116.013 -0.54 . . . . 0.0 110.22 179.048 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 22' ' ' TRP . . . . . 0.445 ' HH2' ' CH2' ' A' ' 14' ' ' TRP . 14.4 m0 -81.27 171.5 14.75 Favored 'General case' 0 C--N 1.323 -0.551 0 CA-C-N 115.788 -0.642 . . . . 0.0 110.718 179.742 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 24.4 m -73.65 142.56 46.47 Favored 'General case' 0 C--N 1.322 -0.605 0 CA-C-N 115.872 -0.604 . . . . 0.0 109.611 172.873 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 13.9 p -55.18 -44.52 75.16 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.433 0 N-CA-C 111.901 0.334 . . . . 0.0 111.901 -175.924 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -65.75 -39.51 95.27 Favored Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.683 -0.77 . . . . 0.0 111.737 -179.532 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 26' ' ' TYR . . . . . . . . . . . . . 94.5 t80 -65.37 -47.28 76.95 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 115.505 -0.347 . . . . 0.0 110.344 177.422 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -59.96 -47.01 87.54 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.099 -0.501 . . . . 0.0 111.426 -178.175 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 49.3 m -56.74 -51.24 69.61 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 116.513 -0.312 . . . . 0.0 111.616 -179.972 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 37.7 mt-10 -78.05 -22.71 48.72 Favored 'General case' 0 C--N 1.327 -0.382 0 C-N-CA 120.848 -0.341 . . . . 0.0 111.58 -176.25 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 5.8 tt -62.79 -46.92 85.76 Favored 'General case' 0 C--N 1.331 -0.235 0 N-CA-C 109.52 -0.548 . . . . 0.0 109.52 172.214 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -65.93 -40.6 91.56 Favored 'General case' 0 N--CA 1.448 -0.543 0 CA-C-N 115.671 -0.695 . . . . 0.0 110.014 176.37 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 87.4 tttt -57.59 -46.36 84.12 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.173 -0.467 . . . . 0.0 112.123 -178.37 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 33' ' ' MET . . . . . . . . . . . . . 4.9 ppp? -72.64 -32.04 65.57 Favored 'General case' 0 N--CA 1.465 0.304 0 CA-C-O 120.811 0.339 . . . . 0.0 110.851 179.95 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 34' ' ' PHE . . . . . 0.72 ' HD2' HH21 ' A' ' 77' ' ' ARG . 36.5 t80 -66.75 -49.89 64.49 Favored 'General case' 0 C--N 1.328 -0.37 0 N-CA-C 109.175 -0.676 . . . . 0.0 109.175 175.605 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 35' ' ' ASP . . . . . 0.765 ' HA ' HD23 ' A' ' 39' ' ' LEU . 9.3 m-20 -58.79 -42.58 89.36 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.343 -0.389 . . . . 0.0 110.951 177.296 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 23.4 t70 -61.8 -40.92 96.92 Favored 'General case' 0 C--N 1.324 -0.521 0 N-CA-C 111.985 0.365 . . . . 0.0 111.985 -174.118 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 37' ' ' ASP . . . . . 0.517 ' HB3' ' HG2' ' A' ' 61' ' ' ARG . 41.5 m-20 -101.37 -39.91 7.35 Favored 'General case' 0 C--N 1.327 -0.402 0 N-CA-C 112.473 0.546 . . . . 0.0 112.473 -175.934 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 38' ' ' ILE . . . . . 0.563 ' HB ' ' O ' ' A' ' 34' ' ' PHE . 2.0 mp -74.48 -41.99 49.37 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.365 0 N-CA-C 111.861 0.319 . . . . 0.0 111.861 -175.88 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 39' ' ' LEU . . . . . 0.765 HD23 ' HA ' ' A' ' 35' ' ' ASP . 1.3 mm? -56.54 -49.08 95.63 Favored Pre-proline 0 N--CA 1.467 0.413 0 N-CA-C 112.771 0.656 . . . . 0.0 112.771 -175.02 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 48.2 Cg_exo -58.69 -19.0 43.69 Favored 'Trans proline' 0 C--N 1.353 0.792 0 C-N-CA 122.1 1.867 . . . . 0.0 112.825 176.261 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 41' ' ' ILE . . . . . 0.685 HG22 HG23 ' A' ' 42' ' ' ILE . 41.1 mm -98.75 -60.49 2.72 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 N-CA-C 111.672 0.249 . . . . 0.0 111.672 -176.61 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 42' ' ' ILE . . . . . 0.685 HG23 HG22 ' A' ' 41' ' ' ILE . 4.6 pt -135.58 7.49 1.0 Allowed 'Isoleucine or valine' 0 N--CA 1.467 0.385 0 N-CA-C 113.101 0.778 . . . . 0.0 113.101 -173.291 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 43' ' ' GLY . . . . . 0.59 ' HA3' ' HA ' ' A' ' 39' ' ' LEU . . . -57.86 -49.85 70.93 Favored Glycine 0 CA--C 1.516 0.141 0 C-N-CA 120.356 -0.926 . . . . 0.0 113.412 -172.299 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -85.48 5.97 81.66 Favored Glycine 0 N--CA 1.445 -0.707 0 C-N-CA 120.613 -0.803 . . . . 0.0 112.807 -175.9 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 86.9 mt -87.1 165.52 15.7 Favored 'General case' 0 N--CA 1.45 -0.443 0 CA-C-O 120.869 0.366 . . . . 0.0 110.267 179.804 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 46' ' ' GLU . . . . . 0.597 ' O ' HG13 ' A' ' 50' ' ' ILE . 44.7 mt-10 -83.34 137.6 33.89 Favored 'General case' 0 C--N 1.32 -0.677 0 N-CA-C 109.632 -0.507 . . . . 0.0 109.632 175.43 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 47' ' ' ILE . . . . . 0.431 HD13 ' HB2' ' A' ' 85' ' ' ALA . 15.1 tt -61.49 -23.49 30.82 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.534 0 CA-C-O 121.107 0.48 . . . . 0.0 111.302 -174.461 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 42.9 tt0 -91.45 -12.73 33.83 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.5 179.204 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 49' ' ' ASP . . . . . 0.449 ' HB2' ' HB2' ' A' ' 46' ' ' GLU . 0.5 OUTLIER -114.95 18.62 16.31 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 115.882 -0.599 . . . . 0.0 110.661 -170.735 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 50' ' ' ILE . . . . . 0.597 HG13 ' O ' ' A' ' 46' ' ' GLU . 85.0 mt -85.38 130.45 36.21 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 CA-C-N 115.946 -0.57 . . . . 0.0 110.703 179.874 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 40.4 mt-10 -74.52 142.75 78.16 Favored Pre-proline 0 C--N 1.325 -0.465 0 CA-C-N 115.967 -0.56 . . . . 0.0 110.574 -179.742 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 52' ' ' PRO . . . . . 0.71 ' HB3' ' HB3' ' A' ' 98' ' ' ASP . 9.3 Cg_endo -53.96 -41.86 71.58 Favored 'Trans proline' 0 C--N 1.345 0.356 0 C-N-CA 123.007 2.471 . . . . 0.0 112.471 179.164 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 53' ' ' MET . . . . . . . . . . . . . 64.0 mtt -72.47 -23.96 61.12 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.36 -0.382 . . . . 0.0 111.271 -178.354 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 59.9 mt-30 -74.25 -38.75 63.38 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 120.856 0.36 . . . . 0.0 110.832 178.875 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 55' ' ' LEU . . . . . 0.555 HD23 ' HB2' ' A' ' 99' ' ' LEU . 22.7 tp -65.89 -35.73 81.44 Favored 'General case' 0 C--N 1.322 -0.604 0 N-CA-C 109.096 -0.705 . . . . 0.0 109.096 175.6 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 2.6 tm? -70.06 -30.15 67.34 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 115.534 -0.757 . . . . 0.0 109.934 175.912 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 57' ' ' GLU . . . . . 0.421 ' HA ' ' HB2' ' A' ' 60' ' ' ARG . 34.9 tt0 -67.24 -31.45 71.82 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-O 120.793 0.33 . . . . 0.0 110.196 177.931 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 58' ' ' VAL . . . . . 0.464 ' O ' ' HB3' ' A' ' 61' ' ' ARG . 97.6 t -63.67 -49.72 81.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-O 121.409 0.623 . . . . 0.0 109.985 173.006 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 59' ' ' ILE . . . . . . . . . . . . . 1.8 mp -61.22 -39.17 81.63 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.408 0 CA-C-N 115.648 -0.706 . . . . 0.0 110.015 176.112 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 60' ' ' ARG . . . . . 0.421 ' HB2' ' HA ' ' A' ' 57' ' ' GLU . 0.1 OUTLIER -56.82 -45.98 81.95 Favored 'General case' 0 C--O 1.231 0.129 0 CA-C-N 115.968 -0.56 . . . . 0.0 110.107 176.562 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 61' ' ' ARG . . . . . 0.517 ' HG2' ' HB3' ' A' ' 37' ' ' ASP . 10.3 tpt180 -51.55 -49.2 62.47 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 114.625 -1.171 . . . . 0.0 111.419 179.472 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 62' ' ' PHE . . . . . . . . . . . . . 87.7 m-85 -78.01 -43.66 28.83 Favored 'General case' 0 C--N 1.328 -0.367 0 N-CA-C 112.039 0.385 . . . . 0.0 112.039 -178.735 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 63' ' ' GLU . . . . . 0.516 ' HG3' ' CE ' ' A' ' 68' ' ' MET . 47.9 tt0 -62.19 -40.19 95.23 Favored 'General case' 0 N--CA 1.463 0.215 0 N-CA-C 111.692 0.256 . . . . 0.0 111.692 -174.816 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 35.5 t70 -65.05 -23.66 67.25 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.797 0.332 . . . . 0.0 111.165 -176.301 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 65' ' ' ARG . . . . . 0.402 HH11 ' HD3' ' A' ' 65' ' ' ARG . 44.1 mtm-85 -84.96 -9.1 58.41 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.742 0.306 . . . . 0.0 110.525 177.589 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 99.33 -4.39 58.46 Favored Glycine 0 N--CA 1.448 -0.544 0 C-N-CA 120.651 -0.785 . . . . 0.0 111.882 179.429 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 67' ' ' ALA . . . . . 0.544 ' HB1' ' HB2' ' A' ' 70' ' ' ARG . . . -78.55 81.51 4.87 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-O 121.141 0.496 . . . . 0.0 110.406 -179.487 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 68' ' ' MET . . . . . 0.567 ' HA ' ' CE ' ' A' ' 68' ' ' MET . 0.1 OUTLIER -70.71 -46.18 63.56 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-N 115.857 -0.611 . . . . 0.0 110.593 -176.024 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 38.2 mt-10 -62.7 -41.23 99.02 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 115.836 -0.62 . . . . 0.0 110.215 179.537 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 70' ' ' ARG . . . . . 0.544 ' HB2' ' HB1' ' A' ' 67' ' ' ALA . 90.0 mtt180 -72.83 -33.47 66.19 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 115.867 -0.606 . . . . 0.0 111.17 -177.496 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -63.58 -45.75 89.01 Favored 'General case' 0 C--O 1.233 0.226 0 CA-C-O 121.17 0.51 . . . . 0.0 110.111 175.173 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 72' ' ' ASN . . . . . 0.43 ' O ' ' HG3' ' A' ' 76' ' ' ARG . 31.9 m-80 -68.22 -33.43 74.39 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 115.656 -0.702 . . . . 0.0 110.367 176.935 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 3.3 tppp? -68.75 -33.67 74.3 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.159 -0.473 . . . . 0.0 109.995 179.317 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -61.6 -54.54 41.63 Favored 'General case' 0 N--CA 1.452 -0.342 0 N-CA-C 109.537 -0.542 . . . . 0.0 109.537 174.296 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 40.3 ttt180 -53.41 -43.81 68.24 Favored 'General case' 0 CA--C 1.532 0.255 0 CA-C-N 116.055 -0.52 . . . . 0.0 110.8 176.214 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 76' ' ' ARG . . . . . 0.43 ' HG3' ' O ' ' A' ' 72' ' ' ASN . 89.8 mtt-85 -56.07 -57.87 10.32 Favored 'General case' 0 CA--C 1.521 -0.167 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.376 178.268 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 77' ' ' ARG . . . . . 0.72 HH21 ' HD2' ' A' ' 34' ' ' PHE . 20.9 mtm180 -70.48 -33.3 71.09 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 116.286 -0.415 . . . . 0.0 111.373 -173.527 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 78' ' ' CYS . . . . . . . . . . . . . 90.0 m -61.42 -50.15 74.0 Favored 'General case' 0 C--N 1.326 -0.449 0 N-CA-C 110.022 -0.362 . . . . 0.0 110.022 174.903 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . -61.71 -33.77 86.27 Favored Glycine 0 C--N 1.332 0.35 0 C-N-CA 121.015 -0.612 . . . . 0.0 111.853 176.606 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 40.0 tp10 -63.17 -41.54 99.25 Favored 'General case' 0 C--N 1.324 -0.512 0 C-N-CA 122.755 0.422 . . . . 0.0 110.768 175.647 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 81' ' ' VAL . . . . . 0.522 HG23 ' O ' ' A' ' 77' ' ' ARG . 93.4 t -70.67 -39.84 76.29 Favored 'Isoleucine or valine' 0 CA--C 1.53 0.202 0 CA-C-N 116.538 -0.301 . . . . 0.0 110.423 176.456 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 82' ' ' PHE . . . . . 0.4 ' O ' HG13 ' A' ' 86' ' ' ILE . 37.6 m-85 -56.23 -44.13 79.3 Favored 'General case' 0 N--CA 1.462 0.13 0 CA-C-O 120.973 0.416 . . . . 0.0 110.229 174.384 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 83' ' ' ARG . . . . . 0.476 ' O ' HG23 ' A' ' 87' ' ' VAL . 9.6 tpt180 -59.78 -44.24 93.99 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 115.839 -0.619 . . . . 0.0 110.394 177.299 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 84' ' ' TYR . . . . . . . . . . . . . 12.9 t80 -62.19 -38.33 88.71 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 115.675 -0.693 . . . . 0.0 110.368 -178.622 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 85' ' ' ALA . . . . . 0.495 ' HA ' HG22 ' A' ' 88' ' ' THR . . . -67.85 -32.52 73.11 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.016 -0.538 . . . . 0.0 111.478 179.476 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 86' ' ' ILE . . . . . 0.4 HG13 ' O ' ' A' ' 82' ' ' PHE . 76.2 mt -71.77 -35.38 55.02 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.411 0 CA-C-O 120.998 0.428 . . . . 0.0 110.367 177.575 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 87' ' ' VAL . . . . . 0.476 HG23 ' O ' ' A' ' 83' ' ' ARG . 93.0 t -70.78 -40.5 76.83 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.38 0 CA-C-N 115.963 -0.562 . . . . 0.0 111.15 179.683 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 88' ' ' THR . . . . . 0.495 HG22 ' HA ' ' A' ' 85' ' ' ALA . 12.8 t -79.14 -7.77 58.46 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-N 116.502 -0.317 . . . . 0.0 110.924 -179.45 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . 78.7 40.8 16.92 Favored Glycine 0 N--CA 1.452 -0.286 0 C-N-CA 120.829 -0.7 . . . . 0.0 113.091 177.3 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 90' ' ' ARG . . . . . 0.453 HH11 ' HD2' ' A' ' 90' ' ' ARG . 57.8 mtt180 -103.37 -38.1 7.35 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-O 121.136 0.493 . . . . 0.0 110.322 176.028 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . -125.83 136.91 53.63 Favored 'General case' 0 C--N 1.323 -0.578 0 CA-C-N 115.76 -0.655 . . . . 0.0 110.173 -179.981 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 57.6 tttm -94.92 -35.67 11.92 Favored 'General case' 0 C--N 1.323 -0.582 0 N-CA-C 109.212 -0.662 . . . . 0.0 109.212 177.075 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 93' ' ' TYR . . . . . . . . . . . . . 80.2 t80 -125.21 136.73 53.86 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 115.226 -0.897 . . . . 0.0 110.064 178.315 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 94' ' ' ASN . . . . . . . . . . . . . 26.6 p-10 -118.9 137.2 24.77 Favored Pre-proline 0 C--N 1.32 -0.674 0 CA-C-N 115.818 -0.628 . . . . 0.0 110.034 177.873 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 95' ' ' PRO . . . . . . . . . . . . . 60.3 Cg_endo -75.6 32.73 0.38 Allowed 'Trans proline' 0 CA--C 1.532 0.383 0 C-N-CA 122.867 2.378 . . . . 0.0 113.089 -178.468 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 96' ' ' ALA . . . . . 0.54 ' N ' ' HD2' ' A' ' 97' ' ' PRO . . . -65.4 -46.25 70.1 Favored Pre-proline 0 CA--C 1.539 0.549 0 CA-C-N 116.381 -0.372 . . . . 0.0 111.511 178.014 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 97' ' ' PRO . . . . . 0.54 ' HD2' ' N ' ' A' ' 96' ' ' ALA . 20.5 Cg_endo -62.35 -33.5 79.91 Favored 'Trans proline' 0 C--N 1.356 0.952 0 C-N-CA 121.941 1.761 . . . . 0.0 112.092 173.093 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 98' ' ' ASP . . . . . 0.71 ' HB3' ' HB3' ' A' ' 52' ' ' PRO . 44.3 m-20 -66.56 -33.2 75.14 Favored 'General case' 0 C--N 1.332 -0.182 0 CA-C-N 116.076 -0.511 . . . . 0.0 110.398 179.688 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 99' ' ' LEU . . . . . 0.555 ' HB2' HD23 ' A' ' 55' ' ' LEU . 3.2 tm? -56.07 -46.41 78.99 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 115.774 -0.648 . . . . 0.0 109.849 175.041 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 100' ' ' ALA . . . . . . . . . . . . . . . -65.17 -40.75 94.71 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 115.902 -0.59 . . . . 0.0 110.657 -179.652 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 23.6 t70 -66.72 -40.35 88.37 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 116.052 -0.522 . . . . 0.0 110.858 -179.712 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -67.08 -41.78 85.78 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.972 179.036 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 103' ' ' MET . . . . . . . . . . . . . 51.3 ttm -65.09 -37.22 86.81 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-O 121.104 0.478 . . . . 0.0 110.35 178.748 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 104' ' ' LYS . . . . . 0.479 ' HE2' ' HB3' ' A' ' 104' ' ' LYS . 25.7 ttpt . . . . . 0 C--N 1.324 -0.527 0 CA-C-N 115.543 -0.753 . . . . 0.0 111.2 177.783 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER . . . . . 0 N--CA 1.462 0.165 0 N-CA-C 109.533 -0.543 . . . . 0.0 109.533 . . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 6' ' ' SER . . . . . 0.572 ' HA ' ' HA ' ' A' ' 46' ' ' GLU . 5.7 m -75.64 143.41 42.26 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 115.641 -0.709 . . . . 0.0 110.427 -179.187 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 7' ' ' PHE . . . . . . . . . . . . . 42.6 t80 -63.43 -43.2 98.14 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.601 -0.272 . . . . 0.0 110.612 -177.041 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 9.7 p -53.53 -47.67 69.75 Favored 'General case' 0 C--O 1.237 0.426 0 CA-C-O 120.851 0.358 . . . . 0.0 111.527 178.145 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -63.95 -49.55 72.11 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 115.913 -0.585 . . . . 0.0 111.456 -178.186 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 10' ' ' ILE . . . . . 0.523 HG21 ' HB2' ' A' ' 85' ' ' ALA . 69.2 mt -66.07 -40.25 86.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.764 -178.2 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 9.5 t80 -58.74 -48.66 80.41 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.139 177.483 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 20.6 tptm -61.84 -39.26 91.19 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 120.628 0.251 . . . . 0.0 110.704 -178.003 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 13' ' ' GLU . . . . . 0.545 ' HG2' ' CD2' ' A' ' 17' ' ' HIS . 28.2 tt0 -67.91 -50.05 58.42 Favored 'General case' 0 C--N 1.326 -0.416 0 N-CA-C 109.997 -0.371 . . . . 0.0 109.997 178.689 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 14' ' ' TRP . . . . . . . . . . . . . 51.3 t90 -51.84 -47.61 64.3 Favored 'General case' 0 C--O 1.235 0.312 0 CA-C-N 115.811 -0.631 . . . . 0.0 110.816 178.085 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 15' ' ' TYR . . . . . 0.503 ' O ' ' HB2' ' A' ' 19' ' ' LYS . 25.9 t80 -57.82 -49.22 77.37 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 115.817 -0.629 . . . . 0.0 111.23 178.943 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 61.9 mm-40 -66.17 -26.67 67.52 Favored 'General case' 0 C--N 1.328 -0.369 0 N-CA-C 112.034 0.383 . . . . 0.0 112.034 -176.329 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 17' ' ' HIS . . . . . 0.545 ' CD2' ' HG2' ' A' ' 13' ' ' GLU . 73.6 m-70 -75.25 -54.13 7.62 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-O 120.999 0.428 . . . . 0.0 110.455 175.813 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 35.0 tptt -73.66 -9.51 58.74 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 121.197 0.522 . . . . 0.0 110.206 -176.88 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 19' ' ' LYS . . . . . 0.503 ' HB2' ' O ' ' A' ' 15' ' ' TYR . 55.8 tttt -57.55 -28.57 63.64 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 115.151 -0.932 . . . . 0.0 110.677 177.42 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 95.6 mt-30 -77.51 -17.91 57.53 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 115.786 -0.643 . . . . 0.0 111.056 -178.224 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 65.9 t -89.7 -47.99 14.65 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.776 -177.869 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 22' ' ' TRP . . . . . . . . . . . . . 19.7 m0 -81.86 154.26 25.95 Favored 'General case' 0 C--N 1.321 -0.656 0 CA-C-N 116.059 -0.519 . . . . 0.0 110.268 -178.224 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 23.0 p -65.31 138.25 58.06 Favored 'General case' 0 C--N 1.323 -0.58 0 N-CA-C 109.377 -0.601 . . . . 0.0 109.377 174.43 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 10.7 p -54.07 -38.08 36.9 Favored 'Isoleucine or valine' 0 CA--C 1.529 0.164 0 N-CA-C 111.712 0.264 . . . . 0.0 111.712 -173.88 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -60.88 -48.58 85.53 Favored Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.583 -0.817 . . . . 0.0 112.125 -179.995 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 26' ' ' TYR . . . . . . . . . . . . . 55.6 t80 -72.79 -36.48 67.6 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-O 120.539 0.209 . . . . 0.0 110.622 179.569 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -59.1 -47.11 86.47 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.392 -0.367 . . . . 0.0 110.726 179.038 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 25.6 m -59.61 -44.6 93.36 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-O 120.879 0.371 . . . . 0.0 110.68 177.136 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 35.1 tt0 -66.19 -47.69 73.11 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.408 -178.179 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 9.8 tt -58.56 -44.26 89.65 Favored 'General case' 0 C--O 1.235 0.305 0 N-CA-C 110.032 -0.359 . . . . 0.0 110.032 179.1 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 31' ' ' ALA . . . . . 0.416 ' HB2' ' CE1' ' A' ' 15' ' ' TYR . . . -66.16 -48.06 71.99 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 115.733 -0.667 . . . . 0.0 111.083 179.935 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 49.7 tttm -64.95 -36.8 85.55 Favored 'General case' 0 C--N 1.324 -0.529 0 C-N-CA 120.984 -0.286 . . . . 0.0 110.873 -177.26 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 33' ' ' MET . . . . . . . . . . . . . 58.6 ttp -63.59 -44.0 95.31 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 121.321 0.582 . . . . 0.0 109.825 175.828 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 34' ' ' PHE . . . . . 0.433 ' CD2' HD12 ' A' ' 38' ' ' ILE . 10.7 t80 -62.41 -49.61 74.82 Favored 'General case' 0 C--O 1.221 -0.442 0 CA-C-N 115.403 -0.817 . . . . 0.0 109.606 177.957 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 35' ' ' ASP . . . . . 0.561 ' HA ' ' HB2' ' A' ' 39' ' ' LEU . 13.4 t70 -66.38 -53.09 39.96 Favored 'General case' 0 C--N 1.32 -0.712 0 CA-C-N 116.244 -0.435 . . . . 0.0 111.697 -176.756 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -60.94 -31.23 70.77 Favored 'General case' 0 C--N 1.325 -0.47 0 N-CA-C 112.799 0.666 . . . . 0.0 112.799 -174.715 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 13.6 m-20 -102.7 -43.25 5.64 Favored 'General case' 0 C--N 1.33 -0.272 0 N-CA-C 112.687 0.625 . . . . 0.0 112.687 -178.69 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 38' ' ' ILE . . . . . 0.595 HG12 HG13 ' A' ' 58' ' ' VAL . 18.0 mt -90.38 -34.05 6.31 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.428 0 N-CA-C 112.296 0.48 . . . . 0.0 112.296 -170.086 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 39' ' ' LEU . . . . . 0.561 ' HB2' ' HA ' ' A' ' 35' ' ' ASP . 0.4 OUTLIER -61.15 -46.71 95.98 Favored Pre-proline 0 CA--C 1.542 0.644 0 N-CA-C 111.77 0.285 . . . . 0.0 111.77 -175.547 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 40' ' ' PRO . . . . . 0.52 ' HD3' ' O ' ' A' ' 35' ' ' ASP . 21.0 Cg_exo -67.57 -5.05 13.22 Favored 'Trans proline' 0 C--N 1.356 0.937 0 C-N-CA 121.916 1.744 . . . . 0.0 113.011 177.782 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 41' ' ' ILE . . . . . 0.487 HG22 HG23 ' A' ' 42' ' ' ILE . 30.2 mm -100.04 -58.49 3.84 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.409 0 CA-C-O 120.546 0.213 . . . . 0.0 111.051 179.965 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 42' ' ' ILE . . . . . 0.502 ' HA ' HD12 ' A' ' 45' ' ' LEU . 11.3 pt -125.82 8.23 4.1 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.249 0 N-CA-C 112.377 0.51 . . . . 0.0 112.377 -175.874 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -61.34 -41.78 99.61 Favored Glycine 0 N--CA 1.452 -0.272 0 C-N-CA 120.617 -0.801 . . . . 0.0 112.453 -176.17 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -81.7 2.05 84.18 Favored Glycine 0 N--CA 1.446 -0.64 0 C-N-CA 121.02 -0.609 . . . . 0.0 112.943 -179.413 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 45' ' ' LEU . . . . . 0.502 HD12 ' HA ' ' A' ' 42' ' ' ILE . 75.6 mt -89.62 151.55 21.84 Favored 'General case' 0 N--CA 1.45 -0.452 0 CA-C-N 117.047 0.423 . . . . 0.0 110.045 -179.917 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 46' ' ' GLU . . . . . 0.617 ' O ' HG13 ' A' ' 50' ' ' ILE . 41.8 mt-10 -83.5 144.89 29.24 Favored 'General case' 0 C--N 1.32 -0.681 0 N-CA-C 109.166 -0.679 . . . . 0.0 109.166 177.084 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 47' ' ' ILE . . . . . 0.537 HD11 ' HA ' ' A' ' 82' ' ' PHE . 13.8 tt -64.86 -17.96 22.68 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.661 0 CA-C-O 121.209 0.528 . . . . 0.0 111.355 -172.609 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 96.4 mt-30 -100.18 5.04 44.75 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-N 115.902 -0.59 . . . . 0.0 110.672 178.608 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 19.1 t70 -137.03 6.28 2.85 Favored 'General case' 0 CA--C 1.534 0.352 0 CA-C-O 120.933 0.397 . . . . 0.0 111.734 -170.214 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 50' ' ' ILE . . . . . 0.617 HG13 ' O ' ' A' ' 46' ' ' GLU . 83.3 mt -66.65 129.31 31.01 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.358 0 CA-C-O 121.209 0.528 . . . . 0.0 111.576 -177.021 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 51' ' ' GLU . . . . . 0.437 ' HB3' ' HB2' ' A' ' 54' ' ' GLN . 2.5 tm-20 -74.91 126.37 88.38 Favored Pre-proline 0 C--N 1.326 -0.448 0 CA-C-N 115.148 -0.933 . . . . 0.0 109.938 -178.63 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 52' ' ' PRO . . . . . . . . . . . . . 74.7 Cg_exo -48.89 -46.78 23.64 Favored 'Trans proline' 0 C--N 1.348 0.517 0 C-N-CA 123.7 2.933 . . . . 0.0 114.173 -177.62 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 53' ' ' MET . . . . . . . . . . . . . 65.3 mtm -75.76 -19.74 58.79 Favored 'General case' 0 C--N 1.328 -0.341 0 C-N-CA 121.091 -0.244 . . . . 0.0 111.157 -176.855 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 54' ' ' GLN . . . . . 0.437 ' HB2' ' HB3' ' A' ' 51' ' ' GLU . 40.7 mt-30 -76.69 -36.3 57.34 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-O 120.874 0.368 . . . . 0.0 110.275 172.767 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 55' ' ' LEU . . . . . 0.403 ' O ' ' HB ' ' A' ' 58' ' ' VAL . 30.8 tp -67.87 -33.79 75.42 Favored 'General case' 0 C--N 1.324 -0.518 0 N-CA-C 109.234 -0.654 . . . . 0.0 109.234 174.341 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 56' ' ' LEU . . . . . 0.465 HD13 ' O ' ' A' ' 56' ' ' LEU . 2.0 tm? -73.66 -29.52 62.37 Favored 'General case' 0 CA--C 1.531 0.229 0 CA-C-N 115.762 -0.654 . . . . 0.0 109.759 175.491 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 33.2 tt0 -64.69 -29.05 70.04 Favored 'General case' 0 C--N 1.329 -0.298 0 N-CA-C 109.862 -0.422 . . . . 0.0 109.862 176.407 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 58' ' ' VAL . . . . . 0.595 HG13 HG12 ' A' ' 38' ' ' ILE . 69.2 t -67.77 -48.65 74.97 Favored 'Isoleucine or valine' 0 C--O 1.236 0.39 0 CA-C-O 121.57 0.7 . . . . 0.0 110.092 172.105 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 59' ' ' ILE . . . . . 0.405 ' HB ' HD22 ' A' ' 56' ' ' LEU . 48.1 mm -54.69 -48.77 71.8 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.683 0 CA-C-N 115.262 -0.881 . . . . 0.0 110.116 176.615 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 60' ' ' ARG . . . . . 0.586 ' HA ' ' HB2' ' A' ' 63' ' ' GLU . 37.0 mtt180 -78.47 -7.3 57.29 Favored 'General case' 0 C--N 1.331 -0.196 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.92 179.883 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 61' ' ' ARG . . . . . 0.532 ' HB3' ' O ' ' A' ' 58' ' ' VAL . 8.8 tpt180 -68.17 -36.13 79.13 Favored 'General case' 0 C--N 1.323 -0.561 0 N-CA-C 108.247 -1.019 . . . . 0.0 108.247 170.962 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 62' ' ' PHE . . . . . . . . . . . . . 90.9 m-85 -84.23 -31.39 25.04 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 115.432 -0.803 . . . . 0.0 111.392 174.831 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 63' ' ' GLU . . . . . 0.586 ' HB2' ' HA ' ' A' ' 60' ' ' ARG . 35.2 mt-10 -65.32 -25.22 67.52 Favored 'General case' 0 N--CA 1.467 0.386 0 C-N-CA 120.837 -0.345 . . . . 0.0 110.484 175.259 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 20.4 t70 -52.85 -42.74 65.5 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 115.719 -0.673 . . . . 0.0 110.843 174.881 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 82.6 mtm-85 -96.22 4.79 52.14 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-N 116.156 -0.474 . . . . 0.0 111.111 -177.848 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 79.77 18.57 72.59 Favored Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 121.036 -0.602 . . . . 0.0 112.779 175.973 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -91.04 86.48 6.25 Favored 'General case' 0 C--N 1.322 -0.603 0 O-C-N 122.689 -0.3 . . . . 0.0 110.64 -178.802 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 68' ' ' MET . . . . . 0.449 ' HA ' ' CE ' ' A' ' 68' ' ' MET . 13.8 mmt -63.63 -40.01 95.81 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.077 -0.51 . . . . 0.0 110.615 -179.669 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 37.0 tt0 -68.32 -44.66 74.88 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 115.741 -0.663 . . . . 0.0 110.471 -179.194 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 59.2 mtt-85 -74.2 -22.35 59.42 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.465 -0.334 . . . . 0.0 110.833 -178.286 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -66.02 -48.71 70.24 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-O 121.142 0.496 . . . . 0.0 109.794 173.351 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 72' ' ' ASN . . . . . . . . . . . . . 42.8 m-80 -70.71 -26.45 63.41 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 116.022 -0.535 . . . . 0.0 110.287 176.15 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 46.2 tptt -62.65 -40.51 97.25 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 115.99 -0.55 . . . . 0.0 109.579 174.371 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -61.61 -47.6 84.69 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 116.267 -0.424 . . . . 0.0 109.987 173.73 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 59.6 ttt180 -56.19 -54.59 43.36 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 115.16 -0.927 . . . . 0.0 111.624 -178.806 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 99.5 mtt180 -66.99 -40.22 87.34 Favored 'General case' 0 C--N 1.327 -0.373 0 N-CA-C 112.0 0.37 . . . . 0.0 112.0 -176.182 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 77' ' ' ARG . . . . . 0.452 ' O ' HG23 ' A' ' 81' ' ' VAL . 80.4 mtm180 -66.37 -39.46 89.13 Favored 'General case' 0 C--N 1.329 -0.287 0 C-N-CA 120.959 -0.296 . . . . 0.0 111.027 -179.428 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 78' ' ' CYS . . . . . . . . . . . . . 71.3 m -63.57 -43.55 96.68 Favored 'General case' 0 C--N 1.329 -0.302 0 N-CA-C 109.815 -0.439 . . . . 0.0 109.815 175.441 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . -59.4 -35.27 84.46 Favored Glycine 0 C--N 1.333 0.378 0 C-N-CA 121.137 -0.554 . . . . 0.0 112.182 175.463 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 25.7 tp10 -67.73 -43.82 79.05 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-O 120.631 0.253 . . . . 0.0 110.544 177.803 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 81' ' ' VAL . . . . . 0.452 HG23 ' O ' ' A' ' 77' ' ' ARG . 94.4 t -61.02 -42.82 94.55 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.226 0 N-CA-C 109.826 -0.435 . . . . 0.0 109.826 174.958 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 82' ' ' PHE . . . . . 0.546 ' HB3' ' HB3' ' A' ' 94' ' ' ASN . 19.6 m-85 -57.23 -51.28 70.0 Favored 'General case' 0 C--N 1.332 -0.152 0 CA-C-N 115.821 -0.627 . . . . 0.0 110.247 175.568 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 83' ' ' ARG . . . . . 0.533 ' O ' HG23 ' A' ' 87' ' ' VAL . 65.2 ttp85 -56.54 -50.52 71.64 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 115.92 -0.582 . . . . 0.0 110.651 -179.886 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 84' ' ' TYR . . . . . . . . . . . . . 66.7 t80 -55.02 -44.7 74.86 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 115.862 -0.608 . . . . 0.0 110.874 -179.622 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 85' ' ' ALA . . . . . 0.523 ' HB2' HG21 ' A' ' 10' ' ' ILE . . . -69.46 -36.33 76.48 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.06 -0.518 . . . . 0.0 111.594 -179.647 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 86' ' ' ILE . . . . . 0.479 HG13 ' O ' ' A' ' 82' ' ' PHE . 72.8 mt -63.67 -42.85 97.43 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 CA-C-O 120.715 0.293 . . . . 0.0 110.529 177.414 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 87' ' ' VAL . . . . . 0.533 HG23 ' O ' ' A' ' 83' ' ' ARG . 59.1 t -63.41 -40.0 87.4 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-N 116.443 -0.344 . . . . 0.0 111.395 -179.319 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 88' ' ' THR . . . . . 0.441 HG23 ' HG3' ' A' ' 90' ' ' ARG . 9.6 t -82.1 -10.29 59.25 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-O 120.992 0.425 . . . . 0.0 110.939 179.317 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . 84.76 24.22 46.67 Favored Glycine 0 N--CA 1.452 -0.271 0 C-N-CA 120.796 -0.716 . . . . 0.0 113.222 176.831 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 90' ' ' ARG . . . . . 0.441 ' HG3' HG23 ' A' ' 88' ' ' THR . 99.0 mtt180 -98.59 -7.51 28.01 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-O 121.434 0.635 . . . . 0.0 109.96 177.041 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . -134.32 138.96 45.33 Favored 'General case' 0 C--N 1.323 -0.576 0 CA-C-N 115.158 -0.928 . . . . 0.0 108.766 173.887 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 78.7 tttt -93.27 -45.66 7.74 Favored 'General case' 0 C--N 1.323 -0.55 0 CA-C-O 121.231 0.539 . . . . 0.0 109.774 -176.182 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 93' ' ' TYR . . . . . . . . . . . . . 27.3 p90 -147.23 149.75 33.52 Favored 'General case' 0 C--N 1.324 -0.52 0 N-CA-C 108.744 -0.836 . . . . 0.0 108.744 174.41 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 94' ' ' ASN . . . . . 0.546 ' HB3' ' HB3' ' A' ' 82' ' ' PHE . 27.9 p-10 -106.72 136.78 19.37 Favored Pre-proline 0 C--N 1.321 -0.67 0 CA-C-O 121.026 0.441 . . . . 0.0 111.154 -176.91 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 95' ' ' PRO . . . . . 0.496 ' HD3' ' HA ' ' A' ' 94' ' ' ASN . 3.1 Cg_exo -76.52 34.09 0.43 Allowed 'Trans proline' 0 CA--C 1.531 0.369 0 C-N-CA 123.554 2.836 . . . . 0.0 112.789 -178.588 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 96' ' ' ALA . . . . . 0.564 ' N ' ' HD2' ' A' ' 97' ' ' PRO . . . -67.27 -45.3 49.9 Favored Pre-proline 0 C--N 1.327 -0.371 0 CA-C-N 116.388 -0.369 . . . . 0.0 111.47 178.763 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 97' ' ' PRO . . . . . 0.564 ' HD2' ' N ' ' A' ' 96' ' ' ALA . 14.8 Cg_endo -58.96 -40.99 66.24 Favored 'Trans proline' 0 C--N 1.356 0.943 0 C-N-CA 121.791 1.66 . . . . 0.0 111.596 173.245 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 3.5 m-20 -60.76 -41.04 94.67 Favored 'General case' 0 C--N 1.332 -0.186 0 CA-C-N 115.694 -0.684 . . . . 0.0 110.564 177.771 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 99' ' ' LEU . . . . . . . . . . . . . 3.3 tm? -54.5 -48.32 72.02 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.556 179.172 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 100' ' ' ALA . . . . . . . . . . . . . . . -67.66 -42.04 82.81 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 116.025 -0.534 . . . . 0.0 111.275 -177.787 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 6.1 t70 -70.12 -38.52 75.59 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-O 121.066 0.46 . . . . 0.0 110.424 -177.604 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -66.13 -35.6 80.91 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 115.921 -0.581 . . . . 0.0 110.745 177.574 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 103' ' ' MET . . . . . . . . . . . . . 53.3 ttm -58.05 -43.47 86.91 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-O 121.098 0.475 . . . . 0.0 110.353 175.569 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 104' ' ' LYS . . . . . . . . . . . . . 88.3 mttt . . . . . 0 C--N 1.327 -0.403 0 CA-C-N 115.853 -0.612 . . . . 0.0 110.413 177.693 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 12.5 m120 . . . . . 0 N--CA 1.455 -0.216 0 CA-C-O 120.667 0.27 . . . . 0.0 110.502 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 6' ' ' SER . . . . . 0.538 ' HA ' ' HA ' ' A' ' 46' ' ' GLU . 19.9 m -62.36 139.34 58.54 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.482 176.489 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 7' ' ' PHE . . . . . . . . . . . . . 35.9 t80 -59.64 -45.96 90.44 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.242 -175.047 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 27.0 t -61.65 -36.46 80.86 Favored 'General case' 0 C--N 1.33 -0.243 0 N-CA-C 111.394 0.146 . . . . 0.0 111.394 -178.56 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -63.61 -49.2 74.25 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 121.035 0.445 . . . . 0.0 110.642 179.082 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 62.7 mt -67.8 -37.72 78.99 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.417 0 CA-C-N 115.946 -0.57 . . . . 0.0 110.311 179.322 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 3.0 t80 -56.32 -43.37 78.92 Favored 'General case' 0 C--N 1.333 -0.136 0 CA-C-N 116.037 -0.529 . . . . 0.0 110.953 175.047 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 50.7 tptt -59.98 -47.75 84.54 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.559 -0.291 . . . . 0.0 110.583 -179.422 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 33.7 tt0 -66.49 -45.56 79.22 Favored 'General case' 0 CA--C 1.532 0.277 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.479 179.238 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 14' ' ' TRP . . . . . . . . . . . . . 61.2 t90 -57.77 -54.41 47.2 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 115.874 -0.603 . . . . 0.0 110.942 178.99 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 15' ' ' TYR . . . . . 0.632 ' CE1' ' HB2' ' A' ' 31' ' ' ALA . 23.2 t80 -57.32 -53.33 59.34 Favored 'General case' 0 C--O 1.224 -0.263 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.57 -177.675 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 41.1 tt0 -60.38 -32.13 71.01 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-O 120.901 0.381 . . . . 0.0 111.057 -175.023 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 17' ' ' HIS . . . . . . . . . . . . . 49.2 t60 -78.41 -43.28 27.8 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-N 116.335 -0.393 . . . . 0.0 110.796 179.317 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 12.6 tptm -77.31 -16.05 59.13 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-O 121.275 0.56 . . . . 0.0 110.276 -177.282 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 58.5 tttm -66.54 -17.74 64.98 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 115.607 -0.724 . . . . 0.0 110.556 175.841 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 96.0 mt-30 -75.4 -10.79 59.76 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 116.051 -0.522 . . . . 0.0 110.352 177.259 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 58.7 t -99.85 -40.7 8.72 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-N 115.984 -0.553 . . . . 0.0 110.73 179.655 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 22' ' ' TRP . . . . . . . . . . . . . 10.9 m0 -91.33 162.97 14.38 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 116.102 -0.499 . . . . 0.0 111.019 -178.135 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 16.2 m -77.45 153.94 33.06 Favored 'General case' 0 C--N 1.323 -0.547 0 N-CA-C 109.664 -0.495 . . . . 0.0 109.664 175.01 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 14.0 p -55.19 -38.7 48.1 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.328 0 N-CA-C 112.083 0.401 . . . . 0.0 112.083 -175.165 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -61.78 -61.2 7.0 Favored Glycine 0 C--N 1.332 0.309 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.249 -179.784 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 26' ' ' TYR . . . . . . . . . . . . . 89.1 t80 -59.05 -38.98 80.63 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-O 120.646 0.26 . . . . 0.0 110.928 179.274 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -61.97 -42.89 99.64 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.397 -0.365 . . . . 0.0 110.958 -179.507 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 90.7 m -63.25 -46.69 85.7 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-O 120.721 0.296 . . . . 0.0 111.288 179.96 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 54.0 mt-10 -67.06 -39.12 86.83 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.395 -0.366 . . . . 0.0 111.187 -178.567 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 10.5 tt -67.1 -42.44 84.56 Favored 'General case' 0 C--N 1.328 -0.36 0 N-CA-C 109.874 -0.417 . . . . 0.0 109.874 177.119 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 31' ' ' ALA . . . . . 0.632 ' HB2' ' CE1' ' A' ' 15' ' ' TYR . . . -60.68 -48.31 82.36 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 115.992 -0.549 . . . . 0.0 110.943 178.939 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 32' ' ' LYS . . . . . 0.603 ' HA ' ' HB3' ' A' ' 35' ' ' ASP . 54.3 tttp -73.22 -18.27 61.26 Favored 'General case' 0 N--CA 1.446 -0.636 0 C-N-CA 119.907 -0.717 . . . . 0.0 110.789 -177.381 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 33' ' ' MET . . . . . . . . . . . . . 62.3 ttp -62.82 -43.4 98.89 Favored 'General case' 0 C--N 1.326 -0.437 0 N-CA-C 108.738 -0.838 . . . . 0.0 108.738 172.521 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 34' ' ' PHE . . . . . 0.664 ' HA ' HD13 ' A' ' 38' ' ' ILE . 29.1 m-85 -69.35 -38.27 78.03 Favored 'General case' 0 C--O 1.222 -0.36 0 CA-C-N 115.697 -0.683 . . . . 0.0 110.751 174.126 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 35' ' ' ASP . . . . . 0.603 ' HB3' ' HA ' ' A' ' 32' ' ' LYS . 17.1 t70 -59.93 -66.56 0.5 Allowed 'General case' 0 C--N 1.32 -0.677 0 CA-C-N 116.381 -0.372 . . . . 0.0 111.255 178.078 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 20.9 t70 -71.87 -28.66 63.68 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 115.779 -0.646 . . . . 0.0 112.521 -168.12 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 47.5 m-20 -107.74 -43.63 4.43 Favored 'General case' 0 C--N 1.329 -0.296 0 N-CA-C 112.307 0.484 . . . . 0.0 112.307 -176.636 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 38' ' ' ILE . . . . . 0.664 HD13 ' HA ' ' A' ' 34' ' ' PHE . 1.8 mp -79.75 -43.3 22.97 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.375 0 N-CA-C 111.918 0.34 . . . . 0.0 111.918 -175.885 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 39' ' ' LEU . . . . . 0.562 ' N ' ' HD2' ' A' ' 40' ' ' PRO . 37.4 mt -65.99 -42.74 54.03 Favored Pre-proline 0 CA--C 1.535 0.392 0 N-CA-C 113.462 0.912 . . . . 0.0 113.462 -171.328 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 40' ' ' PRO . . . . . 0.562 ' HD2' ' N ' ' A' ' 39' ' ' LEU . 32.6 Cg_endo -63.91 -13.0 34.67 Favored 'Trans proline' 0 C--N 1.352 0.723 0 C-N-CA 121.807 1.671 . . . . 0.0 112.438 177.826 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 41' ' ' ILE . . . . . 0.53 HG22 HG23 ' A' ' 42' ' ' ILE . 33.0 mm -98.99 -67.75 0.92 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.386 0 CA-C-N 116.521 -0.309 . . . . 0.0 110.471 179.679 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 42' ' ' ILE . . . . . 0.53 HG23 HG22 ' A' ' 41' ' ' ILE . 17.3 pt -120.97 10.71 6.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 N-CA-C 112.027 0.38 . . . . 0.0 112.027 -174.382 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 43' ' ' GLY . . . . . 0.447 ' HA3' ' HA ' ' A' ' 39' ' ' LEU . . . -60.62 -36.33 91.31 Favored Glycine 0 N--CA 1.452 -0.26 0 C-N-CA 120.623 -0.799 . . . . 0.0 112.626 -176.256 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -97.87 20.14 51.81 Favored Glycine 0 N--CA 1.445 -0.765 0 C-N-CA 120.802 -0.713 . . . . 0.0 112.618 -178.916 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 45' ' ' LEU . . . . . 0.449 HD12 HG22 ' A' ' 42' ' ' ILE . 84.3 mt -107.1 158.59 16.96 Favored 'General case' 0 N--CA 1.454 -0.274 0 N-CA-C 110.102 -0.333 . . . . 0.0 110.102 177.777 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 46' ' ' GLU . . . . . 0.538 ' HA ' ' HA ' ' A' ' 6' ' ' SER . 47.9 mt-10 -80.52 140.49 35.83 Favored 'General case' 0 C--N 1.323 -0.549 0 N-CA-C 109.904 -0.406 . . . . 0.0 109.904 177.301 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 47' ' ' ILE . . . . . 0.401 HD11 ' HA ' ' A' ' 82' ' ' PHE . 15.0 tt -63.85 -20.92 27.56 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.633 0 CA-C-N 116.087 -0.506 . . . . 0.0 111.267 -175.614 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 98.1 mt-30 -89.16 -12.9 39.68 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.024 -0.534 . . . . 0.0 110.869 177.556 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 27.3 t70 -130.73 51.25 2.14 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-O 121.507 0.67 . . . . 0.0 111.045 -169.834 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 50' ' ' ILE . . . . . 0.519 HG13 ' O ' ' A' ' 46' ' ' GLU . 81.2 mt -108.7 129.18 63.66 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.701 0 CA-C-N 115.789 -0.641 . . . . 0.0 109.933 176.539 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 43.2 mt-10 -74.05 143.43 80.67 Favored Pre-proline 0 C--N 1.326 -0.456 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.058 179.663 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 52' ' ' PRO . . . . . . . . . . . . . 53.0 Cg_exo -55.68 -34.64 91.19 Favored 'Trans proline' 0 N--CA 1.462 -0.349 0 C-N-CA 122.53 2.153 . . . . 0.0 111.346 176.588 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 53' ' ' MET . . . . . . . . . . . . . 65.5 mtt -65.72 -33.04 74.95 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 115.819 -0.628 . . . . 0.0 111.08 179.231 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 82.6 mt-30 -79.74 -43.7 22.1 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.388 -0.369 . . . . 0.0 111.308 -177.493 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 55' ' ' LEU . . . . . 0.425 HD23 ' HB2' ' A' ' 99' ' ' LEU . 32.9 tp -64.06 -36.52 84.28 Favored 'General case' 0 C--N 1.323 -0.578 0 CA-C-O 121.532 0.682 . . . . 0.0 109.193 176.141 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 56' ' ' LEU . . . . . 0.757 HD11 ' HE ' ' A' ' 60' ' ' ARG . 2.3 tm? -71.77 -28.76 63.85 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-N 115.389 -0.823 . . . . 0.0 110.046 176.751 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 32.4 tt0 -70.52 -33.25 70.97 Favored 'General case' 0 C--O 1.222 -0.349 0 N-CA-C 109.892 -0.41 . . . . 0.0 109.892 177.481 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 58' ' ' VAL . . . . . 0.673 ' O ' ' HB3' ' A' ' 61' ' ' ARG . 53.1 t -58.9 -50.79 78.28 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 CA-C-O 121.561 0.696 . . . . 0.0 110.061 172.793 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 59' ' ' ILE . . . . . 0.56 HG23 ' HB1' ' A' ' 71' ' ' ALA . 1.6 mp -61.08 -40.68 86.53 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.693 0 CA-C-N 115.473 -0.785 . . . . 0.0 110.713 177.784 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 60' ' ' ARG . . . . . 0.757 ' HE ' HD11 ' A' ' 56' ' ' LEU . 0.0 OUTLIER -74.14 -17.71 60.89 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-O 120.813 0.339 . . . . 0.0 111.142 178.138 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 61' ' ' ARG . . . . . 0.673 ' HB3' ' O ' ' A' ' 58' ' ' VAL . 17.2 tpt180 -64.42 -41.0 96.84 Favored 'General case' 0 C--N 1.326 -0.455 0 N-CA-C 109.435 -0.58 . . . . 0.0 109.435 173.812 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 62' ' ' PHE . . . . . 0.406 ' HB3' ' HB3' ' A' ' 67' ' ' ALA . 97.0 m-85 -71.91 -31.45 66.39 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-N 115.686 -0.688 . . . . 0.0 110.489 173.562 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 63' ' ' GLU . . . . . 0.527 ' OE1' ' HD2' ' A' ' 60' ' ' ARG . 36.0 tt0 -65.19 -31.07 72.06 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 115.861 -0.609 . . . . 0.0 111.035 179.918 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 30.5 m-20 -55.96 -27.99 55.02 Favored 'General case' 0 N--CA 1.467 0.383 0 CA-C-N 116.572 -0.286 . . . . 0.0 111.157 176.328 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 66.3 mtm-85 -105.46 9.28 33.64 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-O 120.843 0.354 . . . . 0.0 110.815 -179.569 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 71.3 25.53 75.28 Favored Glycine 0 N--CA 1.45 -0.367 0 C-N-CA 121.15 -0.548 . . . . 0.0 112.753 179.276 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 67' ' ' ALA . . . . . 0.406 ' HB3' ' HB3' ' A' ' 62' ' ' PHE . . . -91.22 98.26 11.62 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-O 120.88 0.371 . . . . 0.0 110.999 -178.551 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 68' ' ' MET . . . . . 0.467 ' HA ' ' CE ' ' A' ' 68' ' ' MET . 11.2 mmt -80.04 -54.5 5.73 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 116.066 -0.515 . . . . 0.0 111.334 -176.412 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 69' ' ' GLU . . . . . 0.418 ' O ' ' HB2' ' A' ' 73' ' ' LYS . 1.7 mp0 -63.84 -35.95 82.32 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.563 -0.29 . . . . 0.0 110.508 179.507 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 3.9 ttt85 -70.0 -29.8 66.96 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 116.458 -0.337 . . . . 0.0 110.632 -178.828 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 71' ' ' ALA . . . . . 0.56 ' HB1' HG23 ' A' ' 59' ' ' ILE . . . -66.99 -46.12 75.53 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-O 121.187 0.518 . . . . 0.0 110.004 176.488 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 72' ' ' ASN . . . . . 0.419 ' HA ' ' HB3' ' A' ' 75' ' ' ARG . 49.1 m-80 -75.64 -19.93 58.85 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 115.891 -0.595 . . . . 0.0 110.378 178.067 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 73' ' ' LYS . . . . . 0.418 ' HB2' ' O ' ' A' ' 69' ' ' GLU . 24.1 tttp -66.01 -52.85 45.57 Favored 'General case' 0 C--N 1.326 -0.415 0 N-CA-C 108.932 -0.766 . . . . 0.0 108.932 173.967 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -58.39 -48.34 80.96 Favored 'General case' 0 C--O 1.223 -0.308 0 CA-C-N 115.616 -0.72 . . . . 0.0 109.798 174.959 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 75' ' ' ARG . . . . . 0.419 ' HB3' ' HA ' ' A' ' 72' ' ' ASN . 76.4 ttt180 -47.95 -49.77 29.28 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-N 115.304 -0.862 . . . . 0.0 111.893 178.112 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 38.4 ttp180 -81.69 -30.49 32.59 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-N 116.501 -0.318 . . . . 0.0 111.408 -174.14 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 77' ' ' ARG . . . . . 0.413 ' O ' HG23 ' A' ' 81' ' ' VAL . 35.7 mmt180 -76.25 -38.14 56.69 Favored 'General case' 0 C--N 1.327 -0.379 0 C-N-CA 121.072 -0.251 . . . . 0.0 110.984 178.84 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 78' ' ' CYS . . . . . . . . . . . . . 98.4 m -64.05 -42.88 96.88 Favored 'General case' 0 C--N 1.331 -0.239 0 N-CA-C 109.667 -0.494 . . . . 0.0 109.667 174.211 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . -55.36 -35.58 61.22 Favored Glycine 0 C--N 1.336 0.562 0 C-N-CA 121.009 -0.615 . . . . 0.0 111.909 173.919 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 40.7 tt0 -66.14 -41.75 90.03 Favored 'General case' 0 C--N 1.329 -0.284 0 N-CA-C 110.31 -0.255 . . . . 0.0 110.31 176.621 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 81' ' ' VAL . . . . . 0.413 HG23 ' O ' ' A' ' 77' ' ' ARG . 60.2 t -62.71 -42.92 97.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.306 -0.406 . . . . 0.0 110.653 177.112 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 82' ' ' PHE . . . . . 0.487 ' O ' HG13 ' A' ' 86' ' ' ILE . 59.5 m-85 -58.88 -46.79 86.99 Favored 'General case' 0 C--N 1.332 -0.193 0 CA-C-O 120.996 0.427 . . . . 0.0 110.295 175.111 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 83' ' ' ARG . . . . . 0.443 ' HA ' HD12 ' A' ' 86' ' ' ILE . 74.7 ttt180 -63.68 -39.28 93.93 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 115.704 -0.68 . . . . 0.0 110.4 179.526 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 84' ' ' TYR . . . . . . . . . . . . . 68.1 t80 -58.21 -43.01 87.46 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 115.715 -0.675 . . . . 0.0 109.906 176.654 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 85' ' ' ALA . . . . . 0.409 ' HA ' ' OG1' ' A' ' 88' ' ' THR . . . -65.89 -34.15 77.47 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 116.079 -0.509 . . . . 0.0 111.048 179.139 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 86' ' ' ILE . . . . . 0.559 ' HA ' ' O ' ' A' ' 91' ' ' ALA . 79.6 mt -64.74 -41.49 92.35 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 CA-C-O 121.213 0.53 . . . . 0.0 110.381 177.128 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 87' ' ' VAL . . . . . 0.436 HG23 ' O ' ' A' ' 83' ' ' ARG . 47.7 t -74.04 -32.04 31.88 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.387 0 CA-C-N 115.95 -0.568 . . . . 0.0 110.973 -179.87 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 88' ' ' THR . . . . . 0.409 ' OG1' ' HA ' ' A' ' 85' ' ' ALA . 19.8 p -87.93 2.64 51.1 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-O 120.773 0.321 . . . . 0.0 111.499 -178.797 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . 66.96 37.97 92.5 Favored Glycine 0 N--CA 1.453 -0.203 0 C-N-CA 121.017 -0.611 . . . . 0.0 112.676 178.007 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 90' ' ' ARG . . . . . 0.408 HH11 ' HD2' ' A' ' 90' ' ' ARG . 70.3 mtt180 -112.41 -15.75 13.05 Favored 'General case' 0 C--N 1.321 -0.645 0 CA-C-O 120.865 0.364 . . . . 0.0 110.471 178.147 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 91' ' ' ALA . . . . . 0.559 ' O ' ' HA ' ' A' ' 86' ' ' ILE . . . -155.74 169.27 24.75 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 115.841 -0.618 . . . . 0.0 110.04 -179.393 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 80.1 tttt -136.23 -64.84 0.59 Allowed 'General case' 0 C--N 1.322 -0.61 0 CA-C-N 116.301 -0.409 . . . . 0.0 110.112 176.873 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 93' ' ' TYR . . . . . . . . . . . . . 88.0 t80 -89.93 133.28 34.87 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.134 178.718 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 94' ' ' ASN . . . . . 0.464 ' HA ' ' HD3' ' A' ' 95' ' ' PRO . 26.5 p30 -114.41 148.75 40.89 Favored Pre-proline 0 C--N 1.319 -0.729 0 CA-C-N 115.75 -0.659 . . . . 0.0 110.248 178.822 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 95' ' ' PRO . . . . . 0.464 ' HD3' ' HA ' ' A' ' 94' ' ' ASN . 2.6 Cg_exo -77.78 28.53 0.45 Allowed 'Trans proline' 0 N--CA 1.464 -0.258 0 C-N-CA 123.061 2.507 . . . . 0.0 112.254 177.223 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 96' ' ' ALA . . . . . 0.515 ' N ' ' HD2' ' A' ' 97' ' ' PRO . . . -69.85 -47.9 22.76 Favored Pre-proline 0 CA--C 1.536 0.436 0 N-CA-C 111.626 0.232 . . . . 0.0 111.626 -179.353 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 97' ' ' PRO . . . . . 0.515 ' HD2' ' N ' ' A' ' 96' ' ' ALA . 19.2 Cg_endo -60.72 -32.83 93.5 Favored 'Trans proline' 0 C--N 1.357 1.023 0 C-N-CA 121.721 1.614 . . . . 0.0 111.537 173.816 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 23.9 m-20 -72.02 -36.47 69.71 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 115.753 -0.658 . . . . 0.0 110.225 177.697 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 99' ' ' LEU . . . . . 0.425 ' HB2' HD23 ' A' ' 55' ' ' LEU . 3.1 tm? -58.91 -44.68 91.29 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 115.802 -0.636 . . . . 0.0 109.993 176.601 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 100' ' ' ALA . . . . . . . . . . . . . . . -63.99 -41.15 97.6 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.727 179.803 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 32.1 t70 -68.44 -41.52 80.18 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.659 179.425 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -70.81 -17.95 62.75 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-O 121.032 0.444 . . . . 0.0 111.1 179.424 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 103' ' ' MET . . . . . . . . . . . . . 50.8 ttm -80.59 -50.38 10.06 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-O 120.926 0.393 . . . . 0.0 110.586 177.061 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 104' ' ' LYS . . . . . . . . . . . . . 62.6 tttm . . . . . 0 C--N 1.321 -0.663 0 CA-C-N 116.07 -0.514 . . . . 0.0 111.478 -176.31 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 11.7 m120 . . . . . 0 CA--C 1.521 -0.166 0 CA-C-O 120.805 0.336 . . . . 0.0 110.4 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 20.2 m -62.53 141.45 58.43 Favored 'General case' 0 C--O 1.239 0.525 0 CA-C-N 116.028 -0.533 . . . . 0.0 110.087 176.608 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 7' ' ' PHE . . . . . 0.587 ' HE1' ' HZ ' ' A' ' 34' ' ' PHE . 18.7 t80 -56.57 -44.79 81.33 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.113 -175.014 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 49.2 m -57.39 -35.0 69.46 Favored 'General case' 0 CA--C 1.532 0.273 0 N-CA-C 112.11 0.411 . . . . 0.0 112.11 -179.46 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -67.46 -54.88 16.43 Favored 'General case' 0 C--O 1.237 0.399 0 CA-C-O 121.124 0.488 . . . . 0.0 110.654 -178.488 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 59.2 mt -66.25 -31.88 55.59 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-N 115.7 -0.682 . . . . 0.0 110.27 179.762 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 7.3 t80 -56.22 -48.01 77.31 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 115.843 -0.617 . . . . 0.0 111.157 175.806 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 82.9 tttt -63.54 -41.42 98.46 Favored 'General case' 0 C--N 1.329 -0.295 0 C-N-CA 120.718 -0.393 . . . . 0.0 110.496 -179.113 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 39.7 tt0 -63.08 -49.36 74.82 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.131 178.625 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 14' ' ' TRP . . . . . . . . . . . . . 62.5 t90 -57.56 -48.16 80.08 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 115.811 -0.631 . . . . 0.0 110.563 176.847 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 15' ' ' TYR . . . . . 0.547 ' CE1' ' HB2' ' A' ' 31' ' ' ALA . 22.4 t80 -55.69 -52.45 63.82 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 115.922 -0.581 . . . . 0.0 111.222 178.618 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 1.2 tp10 -61.71 -34.63 76.14 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-O 120.975 0.417 . . . . 0.0 110.65 -176.122 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 17' ' ' HIS . . . . . . . . . . . . . 1.6 m80 -71.02 -47.77 56.78 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 115.954 -0.566 . . . . 0.0 110.72 179.324 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 13.8 mmmm -75.49 -14.09 60.41 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.453 -0.34 . . . . 0.0 111.107 -178.21 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 36.7 ttpt -67.35 -17.7 64.86 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 121.438 0.637 . . . . 0.0 110.35 177.776 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 97.3 mt-30 -88.43 -10.24 49.86 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 115.817 -0.628 . . . . 0.0 110.346 177.093 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 46.5 t -100.29 -41.06 8.8 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.393 0 CA-C-N 115.855 -0.612 . . . . 0.0 110.738 -177.985 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 22' ' ' TRP . . . . . . . . . . . . . 12.4 m0 -92.5 165.42 13.03 Favored 'General case' 0 C--N 1.323 -0.565 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.488 179.775 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 15.1 p -68.4 136.58 53.54 Favored 'General case' 0 C--N 1.322 -0.599 0 N-CA-C 109.406 -0.59 . . . . 0.0 109.406 173.621 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 71.8 t -55.71 -38.68 51.82 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.413 0 N-CA-C 111.913 0.338 . . . . 0.0 111.913 -176.171 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -58.78 -50.08 71.06 Favored Glycine 0 N--CA 1.452 -0.256 0 C-N-CA 120.633 -0.794 . . . . 0.0 111.736 177.633 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 26' ' ' TYR . . . . . . . . . . . . . 48.7 t80 -70.19 -39.18 75.36 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-O 120.516 0.198 . . . . 0.0 110.822 179.413 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -60.96 -39.93 91.44 Favored 'General case' 0 C--N 1.332 -0.174 0 CA-C-O 120.829 0.347 . . . . 0.0 111.041 -178.9 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 50.1 m -67.57 -44.85 77.19 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 116.337 -0.392 . . . . 0.0 111.044 179.998 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 41.5 mt-10 -65.42 -44.41 87.48 Favored 'General case' 0 C--N 1.331 -0.196 0 CA-C-O 120.612 0.244 . . . . 0.0 110.732 177.778 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 9.7 tt -57.61 -40.87 80.09 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.309 177.736 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 31' ' ' ALA . . . . . 0.547 ' HB2' ' CE1' ' A' ' 15' ' ' TYR . . . -66.22 -55.63 15.26 Favored 'General case' 0 C--O 1.221 -0.44 0 CA-C-N 115.846 -0.615 . . . . 0.0 111.438 -179.787 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 32' ' ' LYS . . . . . 0.527 ' HA ' ' HB2' ' A' ' 35' ' ' ASP . 45.8 tttm -64.41 -28.25 69.55 Favored 'General case' 0 C--N 1.328 -0.331 0 C-N-CA 120.611 -0.436 . . . . 0.0 110.865 -175.741 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 33' ' ' MET . . . . . . . . . . . . . 8.2 tmm? -67.88 -45.53 74.22 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 121.086 0.469 . . . . 0.0 109.791 174.638 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 34' ' ' PHE . . . . . 0.587 ' HZ ' ' HE1' ' A' ' 7' ' ' PHE . 8.3 t80 -61.11 -44.11 97.85 Favored 'General case' 0 C--N 1.329 -0.315 0 N-CA-C 109.11 -0.7 . . . . 0.0 109.11 175.127 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 35' ' ' ASP . . . . . 0.527 ' HB2' ' HA ' ' A' ' 32' ' ' LYS . 0.3 OUTLIER -50.94 -66.81 0.32 Allowed 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 114.92 -1.036 . . . . 0.0 112.294 178.5 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 37.8 t70 -73.06 -25.85 61.06 Favored 'General case' 0 C--N 1.325 -0.471 0 N-CA-C 112.853 0.686 . . . . 0.0 112.853 -168.123 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 37' ' ' ASP . . . . . 0.409 ' HB3' ' HG2' ' A' ' 61' ' ' ARG . 22.8 m-20 -99.86 -38.55 8.59 Favored 'General case' 0 C--N 1.322 -0.597 0 N-CA-C 112.398 0.518 . . . . 0.0 112.398 -176.176 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 38' ' ' ILE . . . . . 0.571 HD12 ' CD2' ' A' ' 34' ' ' PHE . 16.2 mt -97.26 -39.12 8.51 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.514 0 N-CA-C 112.35 0.5 . . . . 0.0 112.35 -171.407 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 39' ' ' LEU . . . . . 0.558 ' N ' ' HD2' ' A' ' 40' ' ' PRO . 40.2 mt -63.36 -41.09 65.57 Favored Pre-proline 0 CA--C 1.539 0.535 0 N-CA-C 113.288 0.848 . . . . 0.0 113.288 -175.105 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 40' ' ' PRO . . . . . 0.558 ' HD2' ' N ' ' A' ' 39' ' ' LEU . 34.2 Cg_endo -65.14 -9.42 21.73 Favored 'Trans proline' 0 C--N 1.355 0.902 0 C-N-CA 121.632 1.555 . . . . 0.0 112.581 176.868 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 41.7 mm -100.25 -60.75 2.63 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.421 0 CA-C-N 116.417 -0.356 . . . . 0.0 111.22 -178.276 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 42' ' ' ILE . . . . . 0.436 ' HA ' HD12 ' A' ' 45' ' ' LEU . 11.6 pt -120.69 7.68 6.24 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 N-CA-C 112.21 0.448 . . . . 0.0 112.21 -176.388 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -62.8 -33.18 86.21 Favored Glycine 0 N--CA 1.452 -0.27 0 C-N-CA 120.627 -0.797 . . . . 0.0 112.569 -176.316 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -93.41 8.93 74.83 Favored Glycine 0 N--CA 1.448 -0.537 0 C-N-CA 120.839 -0.696 . . . . 0.0 112.472 -178.962 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 45' ' ' LEU . . . . . 0.494 HD11 ' HG2' ' A' ' 54' ' ' GLN . 68.7 mt -96.84 139.77 32.39 Favored 'General case' 0 N--CA 1.451 -0.399 0 N-CA-C 109.966 -0.383 . . . . 0.0 109.966 178.53 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 46' ' ' GLU . . . . . 0.447 ' O ' HG13 ' A' ' 50' ' ' ILE . 4.4 mp0 -67.3 133.56 49.91 Favored 'General case' 0 C--N 1.323 -0.585 0 N-CA-C 109.219 -0.659 . . . . 0.0 109.219 174.504 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 47' ' ' ILE . . . . . 0.44 HD13 ' CB ' ' A' ' 85' ' ' ALA . 19.3 tt -58.96 -23.19 23.41 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.612 0 N-CA-C 112.309 0.485 . . . . 0.0 112.309 -171.965 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 63.5 tt0 -91.27 -17.45 25.96 Favored 'General case' 0 C--N 1.323 -0.565 0 CA-C-O 121.124 0.488 . . . . 0.0 111.068 -178.248 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 9.9 m-20 -130.93 76.6 1.73 Allowed 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 116.079 -0.509 . . . . 0.0 110.377 -177.806 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 50' ' ' ILE . . . . . 0.447 HG13 ' O ' ' A' ' 46' ' ' GLU . 59.4 mt -117.14 136.59 53.82 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.555 0 CA-C-N 115.995 -0.548 . . . . 0.0 110.926 -178.75 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 51' ' ' GLU . . . . . 0.476 ' HA ' ' HD2' ' A' ' 52' ' ' PRO . 10.6 tp10 -66.2 118.27 51.23 Favored Pre-proline 0 C--N 1.325 -0.467 0 CA-C-N 115.357 -0.838 . . . . 0.0 110.297 176.613 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 52' ' ' PRO . . . . . 0.476 ' HD2' ' HA ' ' A' ' 51' ' ' GLU . 9.5 Cg_endo -53.54 -41.12 75.98 Favored 'Trans proline' 0 C--N 1.346 0.421 0 C-N-CA 123.41 2.74 . . . . 0.0 113.156 -178.791 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 53' ' ' MET . . . . . . . . . . . . . 52.3 mtm -75.62 -15.29 60.36 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-O 121.043 0.449 . . . . 0.0 110.619 -179.267 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 54' ' ' GLN . . . . . 0.494 ' HG2' HD11 ' A' ' 45' ' ' LEU . 41.0 tp60 -80.47 -37.25 32.21 Favored 'General case' 0 C--N 1.326 -0.445 0 N-CA-C 108.98 -0.748 . . . . 0.0 108.98 178.828 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 55' ' ' LEU . . . . . 0.443 ' O ' ' HB ' ' A' ' 58' ' ' VAL . 26.1 tp -65.83 -35.57 81.06 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 115.549 -0.75 . . . . 0.0 109.485 175.577 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 2.9 tm? -67.2 -31.67 72.22 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 115.765 -0.652 . . . . 0.0 109.636 175.144 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 22.2 tt0 -65.82 -27.37 68.2 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.16 177.496 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 58' ' ' VAL . . . . . 0.558 HG13 HG12 ' A' ' 38' ' ' ILE . 54.8 t -65.44 -52.51 50.65 Favored 'Isoleucine or valine' 0 C--O 1.236 0.374 0 CA-C-O 121.268 0.556 . . . . 0.0 110.304 171.21 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 59' ' ' ILE . . . . . . . . . . . . . 1.8 mp -56.15 -41.51 69.66 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.419 0 CA-C-N 115.885 -0.598 . . . . 0.0 110.093 176.934 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 6.1 ttt180 -76.77 -20.39 56.5 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.91 -178.472 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 61' ' ' ARG . . . . . 0.553 ' HB3' ' O ' ' A' ' 58' ' ' VAL . 0.3 OUTLIER -58.25 -43.79 88.0 Favored 'General case' 0 C--N 1.33 -0.274 0 N-CA-C 109.116 -0.698 . . . . 0.0 109.116 172.457 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 62' ' ' PHE . . . . . . . . . . . . . 96.7 m-85 -77.61 -19.0 56.24 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-N 115.369 -0.832 . . . . 0.0 111.492 177.596 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 37.7 tt0 -69.59 -39.16 77.44 Favored 'General case' 0 C--N 1.327 -0.389 0 N-CA-C 109.735 -0.469 . . . . 0.0 109.735 176.939 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 45.4 m-20 -57.73 -34.32 69.39 Favored 'General case' 0 N--CA 1.467 0.387 0 CA-C-O 121.177 0.513 . . . . 0.0 110.278 174.01 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 58.0 mtp85 -86.17 -1.0 57.02 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 115.655 -0.702 . . . . 0.0 111.08 -176.5 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 64.49 40.76 97.95 Favored Glycine 0 N--CA 1.447 -0.572 0 C-N-CA 121.072 -0.585 . . . . 0.0 112.078 -178.904 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -127.83 89.27 2.91 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-O 120.801 0.334 . . . . 0.0 110.953 179.687 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 68' ' ' MET . . . . . 0.536 ' HA ' ' CE ' ' A' ' 68' ' ' MET . 14.0 mmt -73.4 -33.92 65.24 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-O 121.083 0.468 . . . . 0.0 109.939 178.942 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 34.0 mt-10 -60.2 -50.63 72.91 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 115.528 -0.76 . . . . 0.0 110.182 177.034 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 81.3 mtt180 -68.81 -26.5 65.22 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 115.883 -0.599 . . . . 0.0 110.604 -179.579 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -69.18 -41.48 77.11 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 121.102 0.477 . . . . 0.0 110.204 176.258 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 72' ' ' ASN . . . . . . . . . . . . . 83.3 m-20 -64.0 -42.83 97.04 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 115.858 -0.61 . . . . 0.0 110.154 175.063 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 1.6 mptm? -64.33 -33.42 75.8 Favored 'General case' 0 C--N 1.332 -0.167 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.717 176.354 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -60.54 -53.64 55.02 Favored 'General case' 0 C--N 1.331 -0.235 0 N-CA-C 110.287 -0.264 . . . . 0.0 110.287 175.293 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 26.2 ttm105 -54.4 -47.41 72.78 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 115.915 -0.584 . . . . 0.0 110.78 177.005 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 18.2 ttt180 -59.21 -53.48 57.75 Favored 'General case' 0 C--N 1.332 -0.188 0 CA-C-N 115.885 -0.598 . . . . 0.0 111.414 -179.05 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 77' ' ' ARG . . . . . 0.545 ' O ' HG23 ' A' ' 81' ' ' VAL . 87.3 mtm180 -59.01 -39.47 81.97 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.396 -0.366 . . . . 0.0 111.324 -177.18 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 78' ' ' CYS . . . . . . . . . . . . . 83.8 m -60.33 -48.96 79.52 Favored 'General case' 0 C--N 1.328 -0.368 0 N-CA-C 109.672 -0.492 . . . . 0.0 109.672 175.748 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . -58.71 -37.49 89.86 Favored Glycine 0 C--N 1.334 0.469 0 C-N-CA 121.247 -0.502 . . . . 0.0 112.458 177.14 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 43.0 mt-10 -61.25 -50.37 73.32 Favored 'General case' 0 C--N 1.333 -0.138 0 CA-C-N 116.699 0.249 . . . . 0.0 110.492 175.869 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 81' ' ' VAL . . . . . 0.545 HG23 ' O ' ' A' ' 77' ' ' ARG . 47.4 t -61.28 -43.32 96.31 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.253 0 CA-C-N 116.292 -0.413 . . . . 0.0 110.422 178.959 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 82' ' ' PHE . . . . . 0.644 ' HB3' ' HB3' ' A' ' 94' ' ' ASN . 19.3 m-85 -55.8 -52.79 62.76 Favored 'General case' 0 N--CA 1.462 0.152 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.788 176.542 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 83' ' ' ARG . . . . . 0.481 ' O ' HG23 ' A' ' 87' ' ' VAL . 23.4 ttm-85 -62.6 -41.34 98.92 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.669 -178.453 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 84' ' ' TYR . . . . . 0.453 ' O ' HG22 ' A' ' 88' ' ' THR . 71.2 t80 -57.37 -43.82 83.9 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.016 -0.538 . . . . 0.0 110.238 177.557 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 85' ' ' ALA . . . . . 0.443 ' HA ' HG22 ' A' ' 88' ' ' THR . . . -69.31 -33.47 73.22 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 115.905 -0.589 . . . . 0.0 111.269 179.25 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 86' ' ' ILE . . . . . 0.586 ' HA ' ' O ' ' A' ' 91' ' ' ALA . 75.8 mt -62.43 -45.19 99.38 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.388 0 CA-C-O 120.773 0.321 . . . . 0.0 110.523 177.505 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 87' ' ' VAL . . . . . 0.481 HG23 ' O ' ' A' ' 83' ' ' ARG . 47.9 t -64.18 -41.32 92.07 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.35 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.335 -178.728 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 88' ' ' THR . . . . . 0.501 HG23 ' HG3' ' A' ' 90' ' ' ARG . 7.8 t -81.09 -9.55 59.8 Favored 'General case' 0 CA--C 1.538 0.484 0 CA-C-O 120.927 0.394 . . . . 0.0 111.303 -178.988 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . 87.12 24.71 36.37 Favored Glycine 0 CA--C 1.52 0.352 0 C-N-CA 120.656 -0.783 . . . . 0.0 113.446 175.424 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 90' ' ' ARG . . . . . 0.501 ' HG3' HG23 ' A' ' 88' ' ' THR . 50.8 mtt180 -102.85 -5.79 23.21 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-O 121.422 0.63 . . . . 0.0 109.845 177.637 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 91' ' ' ALA . . . . . 0.586 ' O ' ' HA ' ' A' ' 86' ' ' ILE . . . -150.25 164.01 36.8 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-N 115.151 -0.931 . . . . 0.0 108.768 175.431 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 66.7 mttm -136.17 -45.62 0.63 Allowed 'General case' 0 C--N 1.326 -0.447 0 CA-C-O 120.751 0.31 . . . . 0.0 110.923 -178.25 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 93' ' ' TYR . . . . . . . . . . . . . 81.4 t80 -117.7 127.76 54.24 Favored 'General case' 0 C--N 1.323 -0.562 0 N-CA-C 110.019 -0.363 . . . . 0.0 110.019 175.329 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 94' ' ' ASN . . . . . 0.644 ' HB3' ' HB3' ' A' ' 82' ' ' PHE . 0.3 OUTLIER -100.5 134.49 20.62 Favored Pre-proline 0 C--N 1.326 -0.438 0 CA-C-N 116.464 -0.334 . . . . 0.0 111.082 178.801 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 95' ' ' PRO . . . . . 0.496 ' HD3' ' HA ' ' A' ' 94' ' ' ASN . 6.9 Cg_exo -74.92 36.63 0.44 Allowed 'Trans proline' 0 CA--C 1.532 0.39 0 C-N-CA 123.448 2.765 . . . . 0.0 112.914 -179.333 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 96' ' ' ALA . . . . . 0.483 ' N ' ' HD2' ' A' ' 97' ' ' PRO . . . -68.77 -49.63 27.08 Favored Pre-proline 0 C--N 1.325 -0.464 0 CA-C-N 116.509 -0.314 . . . . 0.0 111.417 179.152 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 97' ' ' PRO . . . . . 0.483 ' HD2' ' N ' ' A' ' 96' ' ' ALA . 33.8 Cg_endo -66.1 -29.7 47.82 Favored 'Trans proline' 0 C--N 1.356 0.939 0 C-N-CA 121.724 1.616 . . . . 0.0 111.686 174.522 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 4.5 m-20 -67.19 -39.91 86.46 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 115.868 -0.605 . . . . 0.0 109.89 177.382 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 99' ' ' LEU . . . . . 0.418 ' HB2' HD23 ' A' ' 55' ' ' LEU . 3.2 tm? -54.5 -46.11 73.41 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 115.641 -0.709 . . . . 0.0 109.858 174.862 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 100' ' ' ALA . . . . . . . . . . . . . . . -65.09 -43.33 92.47 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 115.863 -0.608 . . . . 0.0 111.421 -178.937 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 101' ' ' ASP . . . . . 0.526 ' HA ' ' HD2' ' A' ' 104' ' ' LYS . 20.3 t70 -71.06 -37.25 72.51 Favored 'General case' 0 C--O 1.234 0.26 0 CA-C-O 120.881 0.372 . . . . 0.0 110.665 -177.985 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -64.39 -41.98 96.38 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 115.97 -0.559 . . . . 0.0 110.298 176.72 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 103' ' ' MET . . . . . . . . . . . . . 59.3 ttm -59.25 -37.46 77.64 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.006 -0.543 . . . . 0.0 110.444 176.891 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 104' ' ' LYS . . . . . 0.526 ' HD2' ' HA ' ' A' ' 101' ' ' ASP . 61.3 mttm . . . . . 0 C--N 1.328 -0.331 0 CA-C-N 115.959 -0.564 . . . . 0.0 111.07 177.338 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 5.0 m-20 . . . . . 0 C--O 1.234 0.24 0 CA-C-O 120.768 0.318 . . . . 0.0 111.415 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 6' ' ' SER . . . . . 0.562 ' HA ' ' HA ' ' A' ' 46' ' ' GLU . 69.5 m -71.24 156.55 39.41 Favored 'General case' 0 C--N 1.33 -0.282 0 N-CA-C 109.899 -0.408 . . . . 0.0 109.899 173.408 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 7' ' ' PHE . . . . . . . . . . . . . 26.9 t80 -59.12 -50.3 74.58 Favored 'General case' 0 C--N 1.329 -0.303 0 N-CA-C 111.766 0.284 . . . . 0.0 111.766 -172.777 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 69.1 m -55.07 -40.1 69.97 Favored 'General case' 0 N--CA 1.467 0.385 0 N-CA-C 111.894 0.331 . . . . 0.0 111.894 -179.508 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -65.82 -50.53 64.29 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.989 0.423 . . . . 0.0 111.004 -177.881 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 10' ' ' ILE . . . . . 0.5 HG12 ' HD3' ' A' ' 90' ' ' ARG . 55.9 mt -70.21 -38.04 73.37 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 CA-C-N 115.896 -0.593 . . . . 0.0 110.655 -179.153 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 11' ' ' TYR . . . . . 0.563 ' OH ' ' HA ' ' A' ' 31' ' ' ALA . 51.6 t80 -56.83 -43.29 80.9 Favored 'General case' 0 C--O 1.223 -0.33 0 CA-C-N 116.058 -0.519 . . . . 0.0 110.393 175.262 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 81.9 tttt -70.15 -36.57 74.83 Favored 'General case' 0 C--N 1.325 -0.478 0 C-N-CA 120.979 -0.288 . . . . 0.0 110.787 -177.75 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 41.6 tt0 -64.12 -42.87 96.68 Favored 'General case' 0 C--O 1.234 0.266 0 N-CA-C 109.508 -0.553 . . . . 0.0 109.508 176.04 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 14' ' ' TRP . . . . . . . . . . . . . 58.4 t90 -64.96 -49.39 70.49 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 115.601 -0.727 . . . . 0.0 110.711 175.727 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 15' ' ' TYR . . . . . . . . . . . . . 6.8 t80 -55.81 -48.36 75.56 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 115.985 -0.552 . . . . 0.0 111.268 178.514 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 16' ' ' GLU . . . . . 0.404 ' O ' ' HG3' ' A' ' 20' ' ' GLN . 28.9 tt0 -65.26 -33.45 76.03 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-O 121.009 0.433 . . . . 0.0 110.602 -177.116 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 17' ' ' HIS . . . . . . . . . . . . . 35.7 t60 -74.42 -40.4 62.02 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 115.747 -0.661 . . . . 0.0 110.435 178.727 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 29.5 mmtm -72.02 -28.51 63.43 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.15 177.922 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 37.0 ttpt -67.3 -15.27 63.59 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-O 121.109 0.48 . . . . 0.0 110.532 176.903 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 20' ' ' GLN . . . . . 0.404 ' HG3' ' O ' ' A' ' 16' ' ' GLU . 95.8 mt-30 -78.52 -8.68 58.82 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.098 -0.501 . . . . 0.0 109.923 175.783 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 79.3 t -113.8 -41.98 3.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 115.839 -0.619 . . . . 0.0 110.686 179.479 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 22' ' ' TRP . . . . . . . . . . . . . 30.7 m0 -78.59 168.45 19.75 Favored 'General case' 0 C--N 1.324 -0.524 0 CA-C-N 116.007 -0.542 . . . . 0.0 111.275 -179.23 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 40.2 m -77.08 151.44 35.47 Favored 'General case' 0 C--N 1.323 -0.565 0 N-CA-C 109.091 -0.707 . . . . 0.0 109.091 171.669 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 14.6 p -60.21 -37.35 73.17 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.423 0 CA-C-O 120.545 0.212 . . . . 0.0 111.188 -175.839 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -66.76 -44.72 88.69 Favored Glycine 0 N--CA 1.447 -0.599 0 C-N-CA 120.919 -0.658 . . . . 0.0 111.785 179.354 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 26' ' ' TYR . . . . . . . . . . . . . 88.6 t80 -67.17 -41.7 85.52 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-O 120.635 0.255 . . . . 0.0 110.509 179.623 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -64.52 -43.9 92.56 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 116.289 -0.414 . . . . 0.0 110.799 -179.313 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 51.7 m -66.66 -45.82 77.68 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.836 179.243 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 15.0 tp10 -63.05 -35.62 80.85 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-O 120.962 0.411 . . . . 0.0 110.534 -179.185 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 9.8 tt -68.01 -51.37 47.84 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-N 115.99 -0.55 . . . . 0.0 110.272 177.64 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 31' ' ' ALA . . . . . 0.563 ' HA ' ' OH ' ' A' ' 11' ' ' TYR . . . -63.22 -33.82 76.32 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.553 -179.571 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 87.0 tttt -62.38 -51.85 65.95 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-N 115.865 -0.607 . . . . 0.0 110.358 175.017 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 33' ' ' MET . . . . . . . . . . . . . 56.1 ttp -56.15 -50.3 71.51 Favored 'General case' 0 C--O 1.235 0.329 0 CA-C-N 115.716 -0.675 . . . . 0.0 110.727 177.658 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 34' ' ' PHE . . . . . 0.495 ' O ' ' HB ' ' A' ' 38' ' ' ILE . 4.1 t80 -60.17 -45.92 91.46 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-N 115.103 -0.953 . . . . 0.0 110.378 -179.108 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 35' ' ' ASP . . . . . 0.575 ' HA ' ' HB2' ' A' ' 39' ' ' LEU . 20.1 t70 -64.42 -50.36 67.89 Favored 'General case' 0 C--N 1.321 -0.634 0 CA-C-N 116.356 -0.384 . . . . 0.0 111.777 -177.59 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 8.3 m-20 -62.73 -38.96 92.54 Favored 'General case' 0 C--N 1.325 -0.462 0 N-CA-C 113.092 0.775 . . . . 0.0 113.092 -174.073 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 2.3 m-20 -106.99 -18.51 13.89 Favored 'General case' 0 C--N 1.328 -0.365 0 N-CA-C 113.24 0.83 . . . . 0.0 113.24 -173.029 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 38' ' ' ILE . . . . . 0.563 HG12 HG13 ' A' ' 58' ' ' VAL . 13.2 mt -110.37 -37.5 3.12 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.436 0 O-C-N 122.117 -0.364 . . . . 0.0 111.927 -174.363 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 39' ' ' LEU . . . . . 0.575 ' HB2' ' HA ' ' A' ' 35' ' ' ASP . 0.2 OUTLIER -59.47 -47.76 97.21 Favored Pre-proline 0 CA--C 1.539 0.537 0 N-CA-C 112.417 0.525 . . . . 0.0 112.417 -174.038 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 40' ' ' PRO . . . . . 0.517 ' HD2' ' N ' ' A' ' 39' ' ' LEU . 32.8 Cg_endo -64.58 -8.3 16.91 Favored 'Trans proline' 0 C--N 1.354 0.867 0 C-N-CA 121.982 1.788 . . . . 0.0 113.222 179.181 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 41' ' ' ILE . . . . . 0.461 HG22 HG23 ' A' ' 42' ' ' ILE . 49.0 mt -101.62 -55.04 6.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.693 -0.231 . . . . 0.0 111.594 -177.096 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 42' ' ' ILE . . . . . 0.461 HG23 HG22 ' A' ' 41' ' ' ILE . 9.1 pt -127.68 3.23 3.4 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.256 0 N-CA-C 112.459 0.54 . . . . 0.0 112.459 -177.458 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 43' ' ' GLY . . . . . 0.514 ' HA3' HD13 ' A' ' 39' ' ' LEU . . . -59.8 -41.53 97.66 Favored Glycine 0 N--CA 1.452 -0.293 0 C-N-CA 120.536 -0.84 . . . . 0.0 112.433 -176.103 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -85.12 7.85 73.36 Favored Glycine 0 N--CA 1.446 -0.642 0 C-N-CA 120.824 -0.703 . . . . 0.0 113.081 -179.391 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 45' ' ' LEU . . . . . 0.404 HD11 ' HG2' ' A' ' 54' ' ' GLN . 91.6 mt -93.38 169.07 10.64 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 117.36 0.58 . . . . 0.0 110.312 179.652 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 46' ' ' GLU . . . . . 0.562 ' HA ' ' HA ' ' A' ' 6' ' ' SER . 46.5 mt-10 -91.86 142.35 27.67 Favored 'General case' 0 C--N 1.321 -0.637 0 N-CA-C 109.287 -0.635 . . . . 0.0 109.287 177.562 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 47' ' ' ILE . . . . . 0.443 HD13 ' HB2' ' A' ' 85' ' ' ALA . 12.4 tt -69.24 -14.98 19.11 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.554 0 CA-C-O 121.219 0.533 . . . . 0.0 110.755 -176.259 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 69.0 mt-30 -92.67 -8.8 43.0 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 115.888 -0.596 . . . . 0.0 109.97 177.68 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 37.8 t70 -138.51 78.85 1.7 Allowed 'General case' 0 C--N 1.326 -0.429 0 CA-C-O 121.204 0.526 . . . . 0.0 110.808 -173.908 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 50' ' ' ILE . . . . . . . . . . . . . 42.7 mt -131.53 118.14 38.18 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 CA-C-N 115.741 -0.663 . . . . 0.0 110.035 176.135 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 51' ' ' GLU . . . . . 0.499 ' HG3' ' HB2' ' A' ' 54' ' ' GLN . 5.4 pt-20 -75.2 140.36 73.03 Favored Pre-proline 0 C--N 1.315 -0.9 0 CA-C-N 115.357 -0.838 . . . . 0.0 110.39 -179.851 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 52' ' ' PRO . . . . . 0.802 ' HB3' ' HB3' ' A' ' 98' ' ' ASP . 10.1 Cg_endo -52.4 -40.27 71.51 Favored 'Trans proline' 0 C--N 1.344 0.317 0 C-N-CA 123.217 2.611 . . . . 0.0 113.048 -176.202 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 53' ' ' MET . . . . . . . . . . . . . 84.4 mmm -63.98 -32.19 73.64 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.723 0.297 . . . . 0.0 111.314 -179.522 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 54' ' ' GLN . . . . . 0.499 ' HB2' ' HG3' ' A' ' 51' ' ' GLU . 38.3 tp60 -77.54 -39.2 46.78 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-O 121.4 0.619 . . . . 0.0 109.671 -178.248 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 55' ' ' LEU . . . . . 0.652 HD23 ' HB2' ' A' ' 99' ' ' LEU . 25.6 tp -69.03 -38.41 79.15 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 115.711 -0.677 . . . . 0.0 110.056 178.61 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 56' ' ' LEU . . . . . 0.498 HD22 ' HB ' ' A' ' 59' ' ' ILE . 2.2 tm? -70.86 -28.19 64.39 Favored 'General case' 0 C--N 1.328 -0.328 0 N-CA-C 109.785 -0.45 . . . . 0.0 109.785 175.814 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 9.0 tp10 -58.83 -39.26 80.68 Favored 'General case' 0 C--N 1.327 -0.388 0 N-CA-C 109.433 -0.58 . . . . 0.0 109.433 176.553 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 58' ' ' VAL . . . . . 0.635 ' O ' ' HB3' ' A' ' 61' ' ' ARG . 56.1 t -60.11 -55.3 25.06 Favored 'Isoleucine or valine' 0 C--O 1.236 0.383 0 CA-C-O 121.487 0.661 . . . . 0.0 111.127 172.986 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 59' ' ' ILE . . . . . 0.498 ' HB ' HD22 ' A' ' 56' ' ' LEU . 50.8 mm -58.03 -48.07 85.18 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.557 0 CA-C-N 115.438 -0.801 . . . . 0.0 110.901 -177.971 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 60' ' ' ARG . . . . . 0.455 HH11 ' HD2' ' A' ' 60' ' ' ARG . 22.9 ttp85 -68.11 -29.04 67.87 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 115.501 -0.772 . . . . 0.0 110.547 -178.573 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 61' ' ' ARG . . . . . 0.635 ' HB3' ' O ' ' A' ' 58' ' ' VAL . 7.4 tpt180 -53.38 -45.48 69.28 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.164 -0.471 . . . . 0.0 109.885 173.921 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 62' ' ' PHE . . . . . . . . . . . . . 80.2 m-85 -68.97 -32.97 72.93 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 116.26 -0.427 . . . . 0.0 111.412 176.825 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 44.0 mt-10 -68.86 -39.16 80.02 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.695 -0.229 . . . . 0.0 110.951 178.823 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 2.0 m-20 -59.47 -31.17 69.09 Favored 'General case' 0 N--CA 1.464 0.254 0 CA-C-O 120.96 0.41 . . . . 0.0 110.504 174.08 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 65' ' ' ARG . . . . . 0.632 ' HG2' ' O ' ' A' ' 61' ' ' ARG . 36.4 mmm-85 -75.86 -25.51 56.25 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 115.735 -0.666 . . . . 0.0 110.366 178.29 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 90.87 8.3 65.3 Favored Glycine 0 N--CA 1.447 -0.604 0 N-CA-C 111.011 -0.836 . . . . 0.0 111.011 -174.53 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -90.19 82.97 5.98 Favored 'General case' 0 N--CA 1.448 -0.531 0 CA-C-O 120.978 0.418 . . . . 0.0 110.28 -179.261 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 68' ' ' MET . . . . . . . . . . . . . 33.0 mmm -69.72 -32.93 71.77 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 115.9 -0.591 . . . . 0.0 110.748 -174.082 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 40.8 mt-10 -63.43 -48.35 78.12 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-O 121.204 0.526 . . . . 0.0 109.806 177.277 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 39.1 mtt180 -70.63 -32.26 69.51 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-N 115.436 -0.802 . . . . 0.0 110.71 -175.297 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -62.04 -44.72 96.09 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-O 121.092 0.473 . . . . 0.0 110.549 176.34 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 72' ' ' ASN . . . . . . . . . . . . . 28.8 m-80 -72.49 -38.92 68.02 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 116.002 -0.545 . . . . 0.0 110.779 178.293 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 92.3 mttt -60.31 -40.78 91.76 Favored 'General case' 0 C--O 1.236 0.357 0 CA-C-N 116.353 -0.385 . . . . 0.0 110.775 177.353 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -58.02 -51.73 68.47 Favored 'General case' 0 N--CA 1.454 -0.255 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.108 176.63 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 75' ' ' ARG . . . . . 0.582 ' HE ' ' HE1' ' A' ' 103' ' ' MET . 33.6 ttm180 -56.36 -49.42 74.47 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 115.792 -0.64 . . . . 0.0 111.018 -178.289 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 85.0 mtt180 -61.17 -52.04 66.49 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 115.801 -0.636 . . . . 0.0 111.664 -176.627 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 77' ' ' ARG . . . . . 0.56 ' O ' HG23 ' A' ' 81' ' ' VAL . 51.8 mtt180 -83.89 -20.26 33.36 Favored 'General case' 0 C--N 1.327 -0.398 0 N-CA-C 112.784 0.661 . . . . 0.0 112.784 -171.63 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 78' ' ' CYS . . . . . . . . . . . . . 89.8 m -66.74 -44.57 81.14 Favored 'General case' 0 C--N 1.329 -0.317 0 N-CA-C 109.072 -0.714 . . . . 0.0 109.072 170.229 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . -59.92 -32.95 76.6 Favored Glycine 0 N--CA 1.447 -0.616 0 CA-C-N 115.867 -0.606 . . . . 0.0 112.083 175.457 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 32.0 tt0 -68.95 -40.9 78.68 Favored 'General case' 0 N--CA 1.455 -0.215 0 C-N-CA 121.161 -0.216 . . . . 0.0 110.436 177.12 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 81' ' ' VAL . . . . . 0.56 HG23 ' O ' ' A' ' 77' ' ' ARG . 93.2 t -60.39 -45.95 95.85 Favored 'Isoleucine or valine' 0 C--O 1.232 0.158 0 CA-C-O 120.929 0.395 . . . . 0.0 110.147 176.311 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 82' ' ' PHE . . . . . 0.457 ' O ' HG13 ' A' ' 86' ' ' ILE . 49.1 m-85 -57.91 -45.04 87.12 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 116.071 -0.513 . . . . 0.0 110.758 176.622 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 15.3 ttm180 -68.22 -39.61 82.33 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.11 -0.496 . . . . 0.0 110.623 -179.663 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 84' ' ' TYR . . . . . . . . . . . . . 55.8 t80 -56.25 -44.79 80.02 Favored 'General case' 0 CA--C 1.517 -0.318 0 CA-C-N 116.12 -0.491 . . . . 0.0 109.881 175.546 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 85' ' ' ALA . . . . . 0.443 ' HB2' HD13 ' A' ' 47' ' ' ILE . . . -63.0 -38.61 91.89 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-N 115.753 -0.658 . . . . 0.0 111.115 179.325 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 86' ' ' ILE . . . . . 0.457 HG13 ' O ' ' A' ' 82' ' ' PHE . 76.5 mt -62.28 -44.0 98.65 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.529 0 CA-C-O 120.964 0.411 . . . . 0.0 110.505 177.624 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 87' ' ' VAL . . . . . . . . . . . . . 62.1 t -68.98 -32.93 56.49 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.294 0 CA-C-N 116.089 -0.505 . . . . 0.0 111.253 179.531 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 88' ' ' THR . . . . . 0.411 ' OG1' ' HA ' ' A' ' 85' ' ' ALA . 16.9 p -86.93 3.22 46.55 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-O 121.114 0.483 . . . . 0.0 111.266 -179.689 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . 68.39 31.53 74.28 Favored Glycine 0 N--CA 1.449 -0.444 0 CA-C-N 115.96 -0.564 . . . . 0.0 112.533 178.351 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 90' ' ' ARG . . . . . 0.5 ' HD3' HG12 ' A' ' 10' ' ' ILE . 95.8 mtt-85 -104.56 -23.9 13.06 Favored 'General case' 0 C--N 1.321 -0.643 0 CA-C-O 120.8 0.333 . . . . 0.0 110.922 -179.933 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . -132.95 155.74 48.55 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-O 120.932 0.396 . . . . 0.0 111.046 -178.04 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 82.0 mttt -109.54 -64.8 1.21 Allowed 'General case' 0 C--N 1.325 -0.494 0 CA-C-N 115.614 -0.721 . . . . 0.0 109.845 -179.32 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 93' ' ' TYR . . . . . . . . . . . . . 56.3 t80 -114.61 130.45 56.78 Favored 'General case' 0 C--N 1.323 -0.567 0 CA-C-N 115.345 -0.843 . . . . 0.0 109.424 -179.781 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 94' ' ' ASN . . . . . 0.492 ' HA ' ' HD3' ' A' ' 95' ' ' PRO . 22.1 p-10 -102.74 131.36 22.38 Favored Pre-proline 0 C--N 1.32 -0.675 0 CA-C-O 120.735 0.302 . . . . 0.0 110.305 178.962 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 95' ' ' PRO . . . . . 0.492 ' HD3' ' HA ' ' A' ' 94' ' ' ASN . 6.5 Cg_exo -73.89 29.08 0.32 Allowed 'Trans proline' 0 C--N 1.343 0.284 0 C-N-CA 123.31 2.674 . . . . 0.0 113.177 -177.321 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 96' ' ' ALA . . . . . 0.563 ' HB3' ' HD3' ' A' ' 97' ' ' PRO . . . -63.21 -48.21 83.69 Favored Pre-proline 0 C--N 1.324 -0.509 0 CA-C-N 116.687 -0.233 . . . . 0.0 111.409 178.591 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 97' ' ' PRO . . . . . 0.563 ' HD3' ' HB3' ' A' ' 96' ' ' ALA . 53.1 Cg_exo -57.99 -39.18 88.29 Favored 'Trans proline' 0 C--N 1.357 0.984 0 C-N-CA 121.9 1.734 . . . . 0.0 112.313 174.708 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 98' ' ' ASP . . . . . 0.802 ' HB3' ' HB3' ' A' ' 52' ' ' PRO . 3.7 m-20 -66.66 -40.23 88.53 Favored 'General case' 0 CA--C 1.517 -0.317 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.709 178.385 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 99' ' ' LEU . . . . . 0.652 ' HB2' HD23 ' A' ' 55' ' ' LEU . 2.9 tm? -54.68 -49.2 71.22 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 115.937 -0.574 . . . . 0.0 110.129 176.822 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 100' ' ' ALA . . . . . . . . . . . . . . . -64.35 -42.68 96.1 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 116.114 -0.494 . . . . 0.0 111.265 -178.545 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 11.4 t70 -71.15 -45.59 63.21 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.328 -0.397 . . . . 0.0 111.143 -175.495 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -63.55 -38.27 90.48 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 116.032 -0.531 . . . . 0.0 110.659 179.919 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 103' ' ' MET . . . . . 0.582 ' HE1' ' HE ' ' A' ' 75' ' ' ARG . 47.8 ttm -58.58 -43.43 89.45 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.026 -0.534 . . . . 0.0 110.426 177.638 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 104' ' ' LYS . . . . . . . . . . . . . 23.0 tptm . . . . . 0 C--N 1.325 -0.486 0 CA-C-N 115.575 -0.739 . . . . 0.0 110.808 -179.211 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 13.8 m120 . . . . . 0 C--O 1.233 0.214 0 CA-C-O 121.173 0.511 . . . . 0.0 110.107 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 6' ' ' SER . . . . . 0.459 ' HA ' ' HA ' ' A' ' 46' ' ' GLU . 6.9 m -76.9 153.27 34.86 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-N 115.686 -0.688 . . . . 0.0 110.371 -179.388 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 7' ' ' PHE . . . . . . . . . . . . . 46.3 t80 -60.14 -46.81 88.4 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.299 -0.409 . . . . 0.0 111.172 -175.884 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 68.0 m -59.87 -35.21 74.32 Favored 'General case' 0 C--N 1.331 -0.206 0 N-CA-C 111.612 0.227 . . . . 0.0 111.612 -178.326 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -64.28 -50.38 68.11 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-O 120.856 0.36 . . . . 0.0 111.004 -179.639 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 55.5 mt -73.09 -31.46 35.13 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.412 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.433 -179.286 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -62.25 -39.3 92.41 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.093 173.403 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 86.3 tttt -69.57 -42.03 75.05 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 115.902 -0.59 . . . . 0.0 110.08 178.865 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 46.9 tp10 -59.39 -46.13 89.54 Favored 'General case' 0 C--O 1.236 0.384 0 CA-C-O 121.4 0.619 . . . . 0.0 109.991 175.375 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 14' ' ' TRP . . . . . 0.453 ' HZ2' ' HD2' ' A' ' 77' ' ' ARG . 44.9 t90 -60.3 -54.19 48.67 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 114.993 -1.003 . . . . 0.0 110.526 177.349 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 15' ' ' TYR . . . . . . . . . . . . . 22.2 t80 -55.77 -46.89 77.83 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.314 -0.403 . . . . 0.0 111.311 179.225 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 1.4 tm-20 -53.71 -47.85 70.15 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 121.083 0.468 . . . . 0.0 110.697 -177.088 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 17' ' ' HIS . . . . . . . . . . . . . 6.6 m-70 -83.22 -38.95 21.56 Favored 'General case' 0 C--N 1.321 -0.64 0 CA-C-N 116.113 -0.494 . . . . 0.0 111.104 -175.314 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 25.6 tptp -71.87 -21.66 61.62 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 116.462 -0.335 . . . . 0.0 111.276 -175.143 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 16.0 pttm -69.03 -12.16 61.43 Favored 'General case' 0 C--N 1.331 -0.202 0 CA-C-O 120.774 0.321 . . . . 0.0 110.696 -179.229 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 95.3 mt-30 -78.04 -25.91 48.08 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.965 0.412 . . . . 0.0 110.273 176.876 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 27.6 t -87.03 -29.37 5.72 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.389 0 CA-C-O 121.401 0.62 . . . . 0.0 110.02 178.88 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 22' ' ' TRP . . . . . . . . . . . . . 30.2 m0 -94.71 178.5 5.57 Favored 'General case' 0 C--N 1.323 -0.557 0 CA-C-N 115.803 -0.635 . . . . 0.0 110.408 177.277 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 43.8 m -87.96 143.86 26.87 Favored 'General case' 0 C--N 1.318 -0.785 0 N-CA-C 108.63 -0.878 . . . . 0.0 108.63 170.118 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 11.2 p -58.35 -33.56 47.97 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.383 0 O-C-N 123.12 0.263 . . . . 0.0 111.498 -172.949 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -62.13 -55.35 28.43 Favored Glycine 0 N--CA 1.45 -0.417 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.002 178.324 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 26' ' ' TYR . . . . . . . . . . . . . 70.5 t80 -68.75 -33.94 74.75 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.561 0.219 . . . . 0.0 110.917 179.855 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -58.6 -49.47 77.35 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-O 120.843 0.354 . . . . 0.0 110.535 178.147 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 9.2 m -70.71 -31.13 67.88 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.722 179.096 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 39.5 tt0 -65.59 -47.0 77.25 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 121.094 0.473 . . . . 0.0 110.249 176.823 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 10.3 tt -64.18 -37.93 89.24 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 115.722 -0.672 . . . . 0.0 109.721 176.771 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -62.73 -44.18 96.89 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 115.967 -0.56 . . . . 0.0 110.636 176.756 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 60.2 tttp -68.09 -31.32 70.86 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.384 -0.371 . . . . 0.0 110.586 179.003 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 33' ' ' MET . . . . . . . . . . . . . 11.9 tmm? -64.48 -52.55 57.32 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.049 174.905 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 34' ' ' PHE . . . . . 0.453 ' CG ' HD12 ' A' ' 38' ' ' ILE . 3.7 m-85 -56.67 -39.76 74.33 Favored 'General case' 0 N--CA 1.462 0.15 0 CA-C-N 116.015 -0.539 . . . . 0.0 110.196 173.883 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 35' ' ' ASP . . . . . 0.783 ' HA ' ' HG ' ' A' ' 39' ' ' LEU . 9.7 t70 -60.24 -67.05 0.43 Allowed 'General case' 0 C--N 1.324 -0.512 0 CA-C-N 115.268 -0.878 . . . . 0.0 111.382 -179.262 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 30.5 t70 -62.69 -36.28 82.42 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-N 115.553 -0.749 . . . . 0.0 112.519 -167.505 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 45.0 m-20 -100.93 -52.54 3.27 Favored 'General case' 0 C--N 1.324 -0.533 0 C-N-CA 120.743 -0.383 . . . . 0.0 111.942 -175.603 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 38' ' ' ILE . . . . . 0.571 HG12 HG13 ' A' ' 58' ' ' VAL . 15.8 mt -78.54 -35.01 18.43 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.641 0 N-CA-C 112.536 0.569 . . . . 0.0 112.536 -169.485 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 39' ' ' LEU . . . . . 0.783 ' HG ' ' HA ' ' A' ' 35' ' ' ASP . 19.6 mt -64.75 -47.19 75.84 Favored Pre-proline 0 CA--C 1.534 0.339 0 N-CA-C 113.043 0.757 . . . . 0.0 113.043 -174.068 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 40' ' ' PRO . . . . . 0.499 ' HD2' ' N ' ' A' ' 39' ' ' LEU . 26.7 Cg_endo -63.44 -15.57 49.27 Favored 'Trans proline' 0 C--N 1.353 0.808 0 C-N-CA 121.603 1.535 . . . . 0.0 112.546 176.857 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 41' ' ' ILE . . . . . 0.692 HG22 HG23 ' A' ' 42' ' ' ILE . 57.6 mt -91.07 -61.33 1.99 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 116.529 -0.305 . . . . 0.0 110.929 -179.171 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 42' ' ' ILE . . . . . 0.692 HG23 HG22 ' A' ' 41' ' ' ILE . 7.8 pt -130.74 -3.09 2.33 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.24 0 N-CA-C 112.702 0.63 . . . . 0.0 112.702 -177.263 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 43' ' ' GLY . . . . . 0.569 ' HA3' ' HA ' ' A' ' 39' ' ' LEU . . . -60.54 -34.75 87.1 Favored Glycine 0 N--CA 1.453 -0.176 0 C-N-CA 120.354 -0.927 . . . . 0.0 112.527 -176.485 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -85.35 4.65 85.31 Favored Glycine 0 N--CA 1.445 -0.707 0 C-N-CA 120.636 -0.792 . . . . 0.0 112.612 179.757 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 88.4 mt -94.97 169.37 10.18 Favored 'General case' 0 N--CA 1.449 -0.498 0 CA-C-O 120.991 0.424 . . . . 0.0 110.443 -179.933 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 46' ' ' GLU . . . . . 0.466 ' HG2' ' H ' ' A' ' 48' ' ' GLN . 40.0 tt0 -87.25 138.3 31.6 Favored 'General case' 0 C--N 1.32 -0.717 0 N-CA-C 109.299 -0.63 . . . . 0.0 109.299 177.789 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 47' ' ' ILE . . . . . 0.517 HD11 ' HA ' ' A' ' 82' ' ' PHE . 15.7 tt -64.05 -20.87 27.6 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.421 0 CA-C-O 121.133 0.492 . . . . 0.0 111.4 -173.754 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 48' ' ' GLN . . . . . 0.466 ' H ' ' HG2' ' A' ' 46' ' ' GLU . 79.7 mt-30 -85.42 -16.05 41.01 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 116.09 -0.505 . . . . 0.0 111.37 179.47 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 17.9 t70 -136.13 84.22 2.06 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-O 121.119 0.485 . . . . 0.0 110.935 -175.268 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 50' ' ' ILE . . . . . . . . . . . . . 78.9 mt -130.67 132.46 64.27 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.662 0 CA-C-N 115.696 -0.684 . . . . 0.0 109.741 176.324 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 37.7 mt-10 -71.38 140.04 84.65 Favored Pre-proline 0 C--N 1.327 -0.391 0 CA-C-N 116.665 -0.243 . . . . 0.0 110.571 -179.517 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 52' ' ' PRO . . . . . 0.694 ' HB3' ' HB3' ' A' ' 98' ' ' ASP . 41.4 Cg_exo -57.27 -34.69 98.28 Favored 'Trans proline' 0 C--N 1.341 0.172 0 C-N-CA 122.477 2.118 . . . . 0.0 111.177 174.457 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 53' ' ' MET . . . . . . . . . . . . . 89.4 mtp -66.32 -36.03 81.9 Favored 'General case' 0 C--O 1.223 -0.294 0 CA-C-N 115.552 -0.749 . . . . 0.0 110.621 178.506 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 77.8 mt-30 -75.32 -39.18 59.77 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 116.255 -0.43 . . . . 0.0 111.196 -178.803 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 21.7 tp -66.49 -33.92 76.76 Favored 'General case' 0 C--N 1.323 -0.573 0 N-CA-C 109.269 -0.641 . . . . 0.0 109.269 176.399 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 2.6 tm? -70.3 -36.17 74.17 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 115.821 -0.627 . . . . 0.0 109.787 174.777 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 57' ' ' GLU . . . . . 0.459 ' CD ' HH21 ' A' ' 60' ' ' ARG . 5.9 tp10 -61.38 -34.26 75.04 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 120.941 0.401 . . . . 0.0 109.945 177.886 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 58' ' ' VAL . . . . . 0.571 HG13 HG12 ' A' ' 38' ' ' ILE . 61.7 t -60.54 -55.49 24.06 Favored 'Isoleucine or valine' 0 C--O 1.236 0.35 0 CA-C-O 121.502 0.668 . . . . 0.0 110.352 173.801 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 59' ' ' ILE . . . . . . . . . . . . . 1.7 mp -57.89 -45.34 87.57 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.57 0 CA-C-N 115.398 -0.819 . . . . 0.0 110.521 178.887 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 60' ' ' ARG . . . . . 0.459 HH21 ' CD ' ' A' ' 57' ' ' GLU . 13.8 ttp180 -69.92 -24.94 63.45 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 115.875 -0.602 . . . . 0.0 110.758 -177.923 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 61' ' ' ARG . . . . . 0.448 ' HB3' ' O ' ' A' ' 58' ' ' VAL . 16.1 tpt180 -60.39 -42.94 96.96 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.062 -0.517 . . . . 0.0 109.61 174.943 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 62' ' ' PHE . . . . . . . . . . . . . 93.9 m-85 -73.66 -32.22 63.87 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 115.816 -0.629 . . . . 0.0 110.994 176.399 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 41.2 mt-10 -68.91 -20.67 64.24 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.482 -0.326 . . . . 0.0 111.425 179.214 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 18.4 t70 -63.66 -41.05 98.25 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 121.128 0.49 . . . . 0.0 110.524 176.695 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 80.4 mtm-85 -87.48 -15.99 36.06 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-N 115.865 -0.607 . . . . 0.0 110.265 179.172 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 92.78 19.75 36.23 Favored Glycine 0 N--CA 1.452 -0.293 0 C-N-CA 120.97 -0.633 . . . . 0.0 112.511 177.209 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -82.79 77.41 9.54 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-O 120.888 0.375 . . . . 0.0 110.568 -179.647 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 68' ' ' MET . . . . . 0.549 ' HA ' ' CE ' ' A' ' 68' ' ' MET . 7.0 mmt -60.23 -42.16 94.62 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 115.999 -0.546 . . . . 0.0 111.377 -177.29 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 27.4 mt-10 -63.36 -46.31 87.13 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-N 115.979 -0.555 . . . . 0.0 110.4 -177.897 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 95.0 mtt180 -77.35 -26.49 52.07 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 115.852 -0.613 . . . . 0.0 111.283 -176.567 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -67.37 -47.66 69.73 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 121.054 0.454 . . . . 0.0 110.371 176.413 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 72' ' ' ASN . . . . . . . . . . . . . 88.8 m-20 -69.52 -31.1 69.12 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 115.964 -0.562 . . . . 0.0 110.652 178.573 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 74.5 tttt -74.8 -33.04 62.17 Favored 'General case' 0 N--CA 1.453 -0.311 0 CA-C-N 116.394 -0.366 . . . . 0.0 110.1 178.495 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -59.49 -48.26 82.34 Favored 'General case' 0 CA--C 1.519 -0.236 0 N-CA-C 109.677 -0.49 . . . . 0.0 109.677 174.221 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 75' ' ' ARG . . . . . 0.408 ' NH2' ' HB2' ' A' ' 100' ' ' ALA . 72.2 ttt180 -54.68 -51.64 64.86 Favored 'General case' 0 C--O 1.234 0.27 0 CA-C-N 115.873 -0.603 . . . . 0.0 110.774 176.297 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 23.2 mtp180 -59.61 -53.85 53.23 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 115.967 -0.56 . . . . 0.0 111.907 -179.049 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 77' ' ' ARG . . . . . 0.484 ' O ' HG23 ' A' ' 81' ' ' VAL . 21.3 mmt180 -71.83 -32.55 67.65 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-N 116.435 -0.348 . . . . 0.0 111.901 -172.445 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 78' ' ' CYS . . . . . . . . . . . . . 99.5 m -63.81 -46.38 85.39 Favored 'General case' 0 C--N 1.329 -0.295 0 N-CA-C 109.231 -0.655 . . . . 0.0 109.231 172.342 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . -60.82 -27.51 66.81 Favored Glycine 0 N--CA 1.448 -0.502 0 C-N-CA 120.938 -0.649 . . . . 0.0 111.848 175.569 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 31.2 tt0 -73.81 -37.65 64.82 Favored 'General case' 0 C--N 1.329 -0.317 0 N-CA-C 110.238 -0.282 . . . . 0.0 110.238 177.208 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 81' ' ' VAL . . . . . 0.484 HG23 ' O ' ' A' ' 77' ' ' ARG . 86.0 t -61.8 -45.6 98.34 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.229 0 N-CA-C 109.573 -0.528 . . . . 0.0 109.573 172.919 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 82' ' ' PHE . . . . . 0.517 ' HA ' HD11 ' A' ' 47' ' ' ILE . 57.8 m-85 -58.29 -49.88 75.59 Favored 'General case' 0 C--N 1.332 -0.18 0 CA-C-N 115.906 -0.588 . . . . 0.0 110.402 174.493 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 83' ' ' ARG . . . . . 0.525 ' O ' HG23 ' A' ' 87' ' ' VAL . 4.9 ttp180 -58.33 -41.25 84.14 Favored 'General case' 0 C--N 1.332 -0.188 0 CA-C-N 115.954 -0.566 . . . . 0.0 111.268 179.474 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 84' ' ' TYR . . . . . . . . . . . . . 61.9 t80 -61.47 -40.27 93.91 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-O 121.105 0.479 . . . . 0.0 110.162 178.742 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 85' ' ' ALA . . . . . 0.527 ' HA ' HG22 ' A' ' 88' ' ' THR . . . -71.48 -29.59 65.01 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 115.842 -0.617 . . . . 0.0 110.933 178.423 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 86' ' ' ILE . . . . . 0.502 HG13 ' O ' ' A' ' 82' ' ' PHE . 81.2 mt -66.86 -43.26 89.67 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.395 0 CA-C-O 121.026 0.441 . . . . 0.0 109.956 174.401 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 87' ' ' VAL . . . . . 0.525 HG23 ' O ' ' A' ' 83' ' ' ARG . 91.2 t -63.47 -43.0 98.21 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 115.834 -0.621 . . . . 0.0 111.061 179.149 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 88' ' ' THR . . . . . 0.527 HG22 ' HA ' ' A' ' 85' ' ' ALA . 3.5 t -73.32 -14.5 61.31 Favored 'General case' 0 CA--C 1.537 0.459 0 CA-C-O 121.077 0.465 . . . . 0.0 110.443 -179.966 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . 86.26 27.64 30.05 Favored Glycine 0 C--N 1.331 0.305 0 C-N-CA 120.995 -0.621 . . . . 0.0 113.377 174.967 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 74.7 mtt180 -120.79 7.95 10.51 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-O 121.02 0.438 . . . . 0.0 111.167 179.002 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . -140.1 134.9 31.96 Favored 'General case' 0 C--N 1.323 -0.573 0 N-CA-C 109.238 -0.653 . . . . 0.0 109.238 170.658 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 97.8 mttt -91.27 -47.22 7.61 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-O 120.689 0.28 . . . . 0.0 111.354 -175.427 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 93' ' ' TYR . . . . . . . . . . . . . 12.7 p90 -138.79 162.68 34.13 Favored 'General case' 0 C--N 1.323 -0.586 0 N-CA-C 109.974 -0.38 . . . . 0.0 109.974 -179.111 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 94' ' ' ASN . . . . . 0.437 ' HB3' ' HB3' ' A' ' 82' ' ' PHE . 27.6 p-10 -119.34 135.76 24.17 Favored Pre-proline 0 C--N 1.32 -0.685 0 CA-C-N 116.187 -0.461 . . . . 0.0 109.931 177.237 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 95' ' ' PRO . . . . . . . . . . . . . 72.8 Cg_endo -75.88 32.99 0.39 Allowed 'Trans proline' 0 CA--C 1.53 0.31 0 C-N-CA 122.788 2.325 . . . . 0.0 113.076 -177.919 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 96' ' ' ALA . . . . . 0.583 ' N ' ' HD2' ' A' ' 97' ' ' PRO . . . -66.52 -44.74 56.78 Favored Pre-proline 0 C--N 1.327 -0.412 0 CA-C-N 116.478 -0.328 . . . . 0.0 111.879 179.315 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 97' ' ' PRO . . . . . 0.583 ' HD2' ' N ' ' A' ' 96' ' ' ALA . 16.1 Cg_endo -58.31 -43.58 45.58 Favored 'Trans proline' 0 C--N 1.357 0.997 0 C-N-CA 122.068 1.845 . . . . 0.0 112.152 174.588 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 98' ' ' ASP . . . . . 0.694 ' HB3' ' HB3' ' A' ' 52' ' ' PRO . 2.1 m-20 -70.05 -32.21 70.21 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.419 -0.355 . . . . 0.0 111.123 178.902 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 99' ' ' LEU . . . . . . . . . . . . . 3.2 tm? -58.0 -50.66 72.65 Favored 'General case' 0 C--N 1.328 -0.338 0 N-CA-C 109.203 -0.665 . . . . 0.0 109.203 173.182 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 100' ' ' ALA . . . . . 0.575 ' O ' ' HG3' ' A' ' 104' ' ' LYS . . . -63.72 -42.55 97.91 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 115.566 -0.743 . . . . 0.0 110.719 179.059 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 12.4 t70 -64.77 -40.22 94.91 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.867 -178.285 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -65.71 -37.25 85.91 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.427 177.794 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 103' ' ' MET . . . . . . . . . . . . . 46.5 ttm -64.06 -38.01 89.51 Favored 'General case' 0 C--N 1.323 -0.571 0 CA-C-N 116.012 -0.54 . . . . 0.0 110.392 177.613 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 104' ' ' LYS . . . . . 0.575 ' HG3' ' O ' ' A' ' 100' ' ' ALA . 78.1 mttt . . . . . 0 N--CA 1.464 0.257 0 CA-C-N 115.959 -0.564 . . . . 0.0 110.814 179.117 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 12.6 m120 . . . . . 0 C--O 1.234 0.259 0 CA-C-O 120.802 0.334 . . . . 0.0 110.666 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 6' ' ' SER . . . . . 0.541 ' HA ' ' HA ' ' A' ' 46' ' ' GLU . 4.7 p -70.73 147.3 49.18 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.111 177.542 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 7' ' ' PHE . . . . . 0.665 ' HE1' ' HZ ' ' A' ' 34' ' ' PHE . 15.3 t80 -64.12 -40.61 96.57 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 116.266 -0.424 . . . . 0.0 110.653 -175.571 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 20.4 p -57.58 -45.68 84.94 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.373 -0.376 . . . . 0.0 111.303 179.07 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -63.21 -50.15 71.41 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.156 -0.474 . . . . 0.0 111.473 -178.109 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 10' ' ' ILE . . . . . 0.432 HD12 HG21 ' A' ' 47' ' ' ILE . 57.5 mt -68.4 -37.33 77.7 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.386 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.826 -177.938 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 11' ' ' TYR . . . . . 0.46 ' OH ' ' HA ' ' A' ' 31' ' ' ALA . 87.5 t80 -58.94 -38.7 79.6 Favored 'General case' 0 C--O 1.223 -0.325 0 N-CA-C 110.165 -0.309 . . . . 0.0 110.165 174.621 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 84.6 tttt -67.4 -40.38 85.63 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.594 -0.276 . . . . 0.0 110.871 -178.463 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 13' ' ' GLU . . . . . 0.47 ' O ' ' HD2' ' A' ' 17' ' ' HIS . 37.6 tt0 -64.07 -50.57 67.86 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 121.081 0.467 . . . . 0.0 109.794 177.153 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 14' ' ' TRP . . . . . . . . . . . . . 69.1 t90 -57.26 -44.24 83.76 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 115.502 -0.772 . . . . 0.0 110.285 176.847 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 15' ' ' TYR . . . . . 0.511 ' CE1' ' HB2' ' A' ' 31' ' ' ALA . 42.1 t80 -61.52 -46.94 87.81 Favored 'General case' 0 C--O 1.222 -0.364 0 CA-C-N 115.79 -0.641 . . . . 0.0 111.472 178.253 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 28.6 tt0 -59.55 -41.34 89.88 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.82 0.343 . . . . 0.0 110.658 -176.918 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 17' ' ' HIS . . . . . 0.47 ' HD2' ' O ' ' A' ' 13' ' ' GLU . 70.1 m-70 -67.48 -42.22 83.29 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.608 177.929 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 39.4 mmtm -69.18 -27.41 65.49 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-O 120.924 0.392 . . . . 0.0 111.086 178.36 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 37.7 ttpt -65.07 -23.41 67.17 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-N 116.024 -0.534 . . . . 0.0 110.452 178.848 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 90.8 mt-30 -80.69 -17.43 51.13 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-N 115.917 -0.583 . . . . 0.0 110.094 177.975 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 50.5 t -93.83 -51.4 11.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 115.59 -0.732 . . . . 0.0 110.668 -179.222 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 22' ' ' TRP . . . . . . . . . . . . . 11.9 m0 -81.82 171.68 14.23 Favored 'General case' 0 C--N 1.322 -0.623 0 CA-C-N 115.852 -0.613 . . . . 0.0 110.581 -178.176 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 11.6 p -76.05 142.86 41.69 Favored 'General case' 0 C--N 1.323 -0.583 0 CA-C-N 115.916 -0.583 . . . . 0.0 109.568 173.254 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 14.2 p -57.19 -36.77 52.9 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.351 0 N-CA-C 111.741 0.275 . . . . 0.0 111.741 -175.941 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -64.18 -43.31 97.3 Favored Glycine 0 N--CA 1.451 -0.358 0 C-N-CA 120.79 -0.719 . . . . 0.0 112.008 178.933 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 26' ' ' TYR . . . . . . . . . . . . . 78.1 t80 -71.27 -40.25 71.06 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-O 121.001 0.429 . . . . 0.0 109.972 178.712 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -60.45 -46.75 88.94 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 115.766 -0.652 . . . . 0.0 111.186 179.982 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 94.6 m -59.86 -44.77 93.96 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.678 -0.237 . . . . 0.0 111.169 178.438 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 32.3 tt0 -62.18 -44.83 95.73 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-O 120.888 0.375 . . . . 0.0 110.536 -179.623 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 8.8 tt -63.15 -45.3 92.54 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 115.693 -0.685 . . . . 0.0 110.696 -179.148 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 31' ' ' ALA . . . . . 0.511 ' HB2' ' CE1' ' A' ' 15' ' ' TYR . . . -68.96 -47.33 65.89 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.074 -0.512 . . . . 0.0 111.313 -178.562 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 64.7 tttm -60.14 -39.49 86.5 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.928 0.394 . . . . 0.0 110.731 -179.481 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 33' ' ' MET . . . . . 0.639 ' SD ' ' HD3' ' A' ' 70' ' ' ARG . 45.8 ttp -60.16 -39.4 86.28 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-O 121.211 0.529 . . . . 0.0 110.26 176.835 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 34' ' ' PHE . . . . . 0.665 ' HZ ' ' HE1' ' A' ' 7' ' ' PHE . 18.8 t80 -67.29 -46.8 72.52 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 115.753 -0.658 . . . . 0.0 109.644 178.179 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 35' ' ' ASP . . . . . 0.511 ' O ' ' HB2' ' A' ' 39' ' ' LEU . 18.4 m-20 -57.42 -54.2 49.47 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-N 116.063 -0.517 . . . . 0.0 110.984 177.307 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 10.2 m-20 -53.88 -60.15 3.69 Favored 'General case' 0 C--N 1.326 -0.426 0 N-CA-C 112.608 0.595 . . . . 0.0 112.608 -173.596 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 68.5 m-20 -90.05 -40.56 12.22 Favored 'General case' 0 C--N 1.323 -0.577 0 C-N-CA 120.639 -0.424 . . . . 0.0 112.041 -172.856 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 38' ' ' ILE . . . . . 0.566 HD12 ' CD2' ' A' ' 34' ' ' PHE . 15.6 mt -88.27 -32.07 5.88 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.634 0 N-CA-C 112.634 0.605 . . . . 0.0 112.634 -167.244 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 39' ' ' LEU . . . . . 0.521 HD22 ' HA3' ' A' ' 43' ' ' GLY . 0.2 OUTLIER -60.74 -49.35 89.94 Favored Pre-proline 0 CA--C 1.538 0.513 0 C-N-CA 120.949 -0.301 . . . . 0.0 111.773 -175.282 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 40' ' ' PRO . . . . . 0.472 ' HD2' ' N ' ' A' ' 39' ' ' LEU . 41.5 Cg_endo -68.15 -1.38 7.02 Favored 'Trans proline' 0 C--N 1.353 0.78 0 C-N-CA 121.791 1.661 . . . . 0.0 112.902 178.329 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 41' ' ' ILE . . . . . 0.44 HG22 HG23 ' A' ' 42' ' ' ILE . 37.2 mm -102.46 -59.73 3.22 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.404 0 C-N-CA 121.225 -0.19 . . . . 0.0 110.825 179.223 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 42' ' ' ILE . . . . . 0.44 HG23 HG22 ' A' ' 41' ' ' ILE . 5.2 pt -129.04 -1.16 3.03 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.252 0 N-CA-C 112.061 0.393 . . . . 0.0 112.061 -178.162 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 43' ' ' GLY . . . . . 0.521 ' HA3' HD22 ' A' ' 39' ' ' LEU . . . -61.77 -35.33 91.1 Favored Glycine 0 N--CA 1.453 -0.232 0 C-N-CA 120.685 -0.769 . . . . 0.0 112.721 -174.326 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -88.08 -0.35 83.19 Favored Glycine 0 N--CA 1.447 -0.571 0 C-N-CA 120.695 -0.764 . . . . 0.0 112.709 -179.646 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 91.2 mt -88.37 164.63 15.44 Favored 'General case' 0 C--N 1.327 -0.377 0 N-CA-C 109.776 -0.454 . . . . 0.0 109.776 -179.474 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 46' ' ' GLU . . . . . 0.541 ' HA ' ' HA ' ' A' ' 6' ' ' SER . 42.8 mt-10 -89.29 140.14 29.79 Favored 'General case' 0 C--N 1.321 -0.637 0 N-CA-C 109.657 -0.497 . . . . 0.0 109.657 177.185 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 47' ' ' ILE . . . . . 0.432 HG21 HD12 ' A' ' 10' ' ' ILE . 16.5 tt -64.36 -18.21 22.57 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.611 0 CA-C-O 121.233 0.54 . . . . 0.0 111.499 -173.226 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 85.1 mt-30 -85.83 -20.71 28.74 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-N 116.036 -0.529 . . . . 0.0 110.88 -178.422 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 14.6 t70 -132.99 83.92 2.1 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-O 121.146 0.498 . . . . 0.0 110.618 -174.873 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 50' ' ' ILE . . . . . . . . . . . . . 51.7 mt -132.04 124.06 52.19 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.65 0 CA-C-N 115.67 -0.696 . . . . 0.0 109.941 175.742 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 51' ' ' GLU . . . . . 0.672 ' HG3' ' HB2' ' A' ' 54' ' ' GLN . 9.1 pt-20 -73.59 138.84 77.43 Favored Pre-proline 0 C--N 1.321 -0.638 0 CA-C-N 115.8 -0.636 . . . . 0.0 110.205 177.758 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 52' ' ' PRO . . . . . 0.445 ' HB3' ' HB3' ' A' ' 98' ' ' ASP . 11.2 Cg_endo -55.57 -35.15 92.06 Favored 'Trans proline' 0 C--N 1.344 0.296 0 C-N-CA 123.05 2.5 . . . . 0.0 113.022 -176.786 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 53' ' ' MET . . . . . . . . . . . . . 66.7 mtt -71.25 -27.67 63.62 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.551 -0.295 . . . . 0.0 111.009 -177.94 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 54' ' ' GLN . . . . . 0.672 ' HB2' ' HG3' ' A' ' 51' ' ' GLU . 44.2 tp60 -75.29 -41.82 56.21 Favored 'General case' 0 C--N 1.327 -0.403 0 N-CA-C 109.49 -0.559 . . . . 0.0 109.49 178.02 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 55' ' ' LEU . . . . . 0.544 ' O ' ' HB ' ' A' ' 58' ' ' VAL . 38.9 tp -64.67 -36.41 84.19 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-O 121.477 0.656 . . . . 0.0 109.437 175.365 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 56' ' ' LEU . . . . . 0.544 HD11 ' HE ' ' A' ' 60' ' ' ARG . 2.7 tm? -67.65 -32.34 72.96 Favored 'General case' 0 C--N 1.326 -0.413 0 CA-C-N 115.446 -0.797 . . . . 0.0 110.24 176.979 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 33.0 tt0 -64.29 -31.92 73.32 Favored 'General case' 0 N--CA 1.454 -0.266 0 N-CA-C 109.875 -0.417 . . . . 0.0 109.875 176.936 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 58' ' ' VAL . . . . . 0.552 HG13 HG12 ' A' ' 38' ' ' ILE . 43.8 t -58.72 -54.36 34.67 Favored 'Isoleucine or valine' 0 C--O 1.236 0.359 0 CA-C-O 121.203 0.525 . . . . 0.0 110.238 171.561 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 59' ' ' ILE . . . . . . . . . . . . . 1.8 mp -55.17 -45.11 77.21 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 115.581 -0.736 . . . . 0.0 110.876 178.713 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 60' ' ' ARG . . . . . 0.544 ' HE ' HD11 ' A' ' 56' ' ' LEU . 74.5 mtt-85 -80.74 -9.69 59.78 Favored 'General case' 0 C--N 1.328 -0.364 0 N-CA-C 112.109 0.411 . . . . 0.0 112.109 -177.871 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 47.9 tpt85 -69.37 -39.55 77.99 Favored 'General case' 0 C--N 1.324 -0.506 0 N-CA-C 108.715 -0.846 . . . . 0.0 108.715 171.748 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 62' ' ' PHE . . . . . . . . . . . . . 75.5 m-85 -71.73 -33.25 68.56 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-N 115.692 -0.685 . . . . 0.0 110.263 172.594 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 63' ' ' GLU . . . . . 0.447 ' CB ' ' HA ' ' A' ' 60' ' ' ARG . 33.4 tt0 -58.64 -53.65 55.97 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.014 -0.539 . . . . 0.0 110.726 177.915 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 1.6 p30 -69.78 -20.37 63.48 Favored 'General case' 0 N--CA 1.465 0.292 0 C-N-CA 120.994 -0.283 . . . . 0.0 110.952 -179.931 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 36.7 ttt180 -76.73 -22.36 53.96 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 121.203 0.525 . . . . 0.0 110.015 175.959 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 104.75 -8.1 46.31 Favored Glycine 0 N--CA 1.447 -0.589 0 CA-C-N 115.781 -0.645 . . . . 0.0 112.571 177.77 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -89.18 107.38 19.02 Favored 'General case' 0 C--N 1.326 -0.413 0 CA-C-O 120.874 0.369 . . . . 0.0 110.942 -176.546 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 68' ' ' MET . . . . . 0.497 ' HA ' ' CE ' ' A' ' 68' ' ' MET . 3.2 mmt -85.63 -47.7 9.58 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.817 -178.002 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 18.7 tt0 -62.48 -45.31 93.62 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.054 -0.521 . . . . 0.0 110.445 -179.602 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 70' ' ' ARG . . . . . 0.639 ' HD3' ' SD ' ' A' ' 33' ' ' MET . 55.4 mtt180 -73.7 -14.5 61.15 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-N 115.815 -0.629 . . . . 0.0 111.205 -177.642 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -70.44 -42.99 70.82 Favored 'General case' 0 C--O 1.233 0.218 0 N-CA-C 109.434 -0.58 . . . . 0.0 109.434 172.09 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 72' ' ' ASN . . . . . . . . . . . . . 9.9 t30 -66.5 -36.15 82.01 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 115.787 -0.642 . . . . 0.0 109.926 174.496 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 73' ' ' LYS . . . . . 0.554 ' HB2' ' HA ' ' A' ' 70' ' ' ARG . 46.8 mttp -59.37 -37.09 77.02 Favored 'General case' 0 C--N 1.333 -0.152 0 CA-C-N 116.115 -0.493 . . . . 0.0 111.228 176.214 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -63.38 -55.85 21.11 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-O 120.96 0.41 . . . . 0.0 110.004 176.373 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 63.5 ttt180 -50.71 -50.97 53.98 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 114.935 -1.029 . . . . 0.0 111.534 179.039 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 33.5 ttt85 -63.21 -48.94 76.19 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 115.744 -0.662 . . . . 0.0 111.864 -177.535 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 77' ' ' ARG . . . . . 0.52 ' O ' HG23 ' A' ' 81' ' ' VAL . 73.6 mtm180 -63.38 -49.13 75.03 Favored 'General case' 0 CA--C 1.518 -0.287 0 C-N-CA 121.226 -0.19 . . . . 0.0 111.398 -177.693 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 78' ' ' CYS . . . . . . . . . . . . . 74.5 m -55.6 -42.57 75.02 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-O 120.745 0.307 . . . . 0.0 110.245 179.159 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . -57.95 -39.89 92.46 Favored Glycine 0 N--CA 1.448 -0.533 0 CA-C-N 115.968 -0.56 . . . . 0.0 112.585 177.558 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 33.0 tt0 -76.47 -30.85 57.46 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.916 0.358 . . . . 0.0 110.722 179.498 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 81' ' ' VAL . . . . . 0.52 HG23 ' O ' ' A' ' 77' ' ' ARG . 93.0 t -62.3 -44.12 98.8 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 N-CA-C 109.65 -0.5 . . . . 0.0 109.65 173.764 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 82' ' ' PHE . . . . . 0.551 ' O ' HG13 ' A' ' 86' ' ' ILE . 41.0 m-85 -59.02 -48.03 83.08 Favored 'General case' 0 C--N 1.332 -0.192 0 CA-C-N 115.812 -0.631 . . . . 0.0 109.933 172.865 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 83' ' ' ARG . . . . . 0.452 ' O ' HG23 ' A' ' 87' ' ' VAL . 56.6 ttt180 -54.5 -51.38 65.28 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 115.537 -0.756 . . . . 0.0 110.871 177.578 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 84' ' ' TYR . . . . . . . . . . . . . 56.8 t80 -54.75 -43.64 72.91 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 115.752 -0.658 . . . . 0.0 110.464 178.944 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 85' ' ' ALA . . . . . 0.43 ' HB2' HD13 ' A' ' 47' ' ' ILE . . . -66.43 -39.69 89.08 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-N 116.069 -0.514 . . . . 0.0 111.337 179.716 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 86' ' ' ILE . . . . . 0.579 ' HA ' ' O ' ' A' ' 91' ' ' ALA . 67.6 mt -63.6 -39.97 87.32 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.355 0 CA-C-O 121.124 0.488 . . . . 0.0 110.568 178.676 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 87' ' ' VAL . . . . . 0.452 HG23 ' O ' ' A' ' 83' ' ' ARG . 63.9 t -69.94 -36.98 71.53 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.432 0 CA-C-N 115.962 -0.563 . . . . 0.0 111.08 178.755 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 88' ' ' THR . . . . . . . . . . . . . 20.6 p -83.66 -7.14 59.56 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 116.288 -0.415 . . . . 0.0 111.534 -178.163 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . 85.15 24.58 43.69 Favored Glycine 0 CA--C 1.519 0.332 0 C-N-CA 120.776 -0.726 . . . . 0.0 113.336 176.669 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 56.5 mtm180 -109.11 -4.34 16.67 Favored 'General case' 0 C--N 1.323 -0.587 0 CA-C-O 120.991 0.424 . . . . 0.0 110.764 178.574 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 91' ' ' ALA . . . . . 0.579 ' O ' ' HA ' ' A' ' 86' ' ' ILE . . . -149.38 165.11 33.03 Favored 'General case' 0 C--N 1.326 -0.418 0 N-CA-C 109.042 -0.725 . . . . 0.0 109.042 174.586 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 99.3 mttt -132.11 -12.81 3.2 Favored 'General case' 0 C--N 1.327 -0.409 0 N-CA-C 112.469 0.544 . . . . 0.0 112.469 -177.996 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 93' ' ' TYR . . . . . . . . . . . . . 18.1 p90 -146.41 163.45 35.6 Favored 'General case' 0 C--N 1.325 -0.474 0 C-N-CA 120.713 -0.395 . . . . 0.0 110.539 178.873 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 94' ' ' ASN . . . . . . . . . . . . . 6.4 m120 -108.37 134.52 20.19 Favored Pre-proline 0 C--N 1.325 -0.485 0 N-CA-C 109.497 -0.557 . . . . 0.0 109.497 175.583 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 95' ' ' PRO . . . . . . . . . . . . . 4.6 Cg_exo -77.45 11.85 2.03 Favored 'Trans proline' 0 N--CA 1.462 -0.348 0 C-N-CA 122.689 2.26 . . . . 0.0 111.38 169.919 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 96' ' ' ALA . . . . . 0.56 ' N ' ' HD2' ' A' ' 97' ' ' PRO . . . -61.71 -47.43 92.3 Favored Pre-proline 0 CA--C 1.538 0.505 0 CA-C-N 115.923 -0.58 . . . . 0.0 112.484 -178.594 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 97' ' ' PRO . . . . . 0.56 ' HD2' ' N ' ' A' ' 96' ' ' ALA . 9.5 Cg_endo -53.84 -49.5 16.98 Favored 'Trans proline' 0 C--N 1.357 0.981 0 C-N-CA 122.254 1.969 . . . . 0.0 111.839 174.925 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 98' ' ' ASP . . . . . 0.445 ' HB3' ' HB3' ' A' ' 52' ' ' PRO . 3.1 m-20 -68.71 -28.45 66.85 Favored 'General case' 0 C--N 1.326 -0.413 0 CA-C-N 115.478 -0.783 . . . . 0.0 111.007 -179.214 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 99' ' ' LEU . . . . . . . . . . . . . 3.2 tm? -58.58 -45.94 87.99 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-O 120.979 0.418 . . . . 0.0 109.884 176.092 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 100' ' ' ALA . . . . . . . . . . . . . . . -66.18 -38.88 89.09 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 115.806 -0.634 . . . . 0.0 110.711 179.585 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 31.6 t70 -69.25 -40.99 77.54 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 115.991 -0.55 . . . . 0.0 110.794 179.097 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 102' ' ' ALA . . . . . 0.411 ' HB2' ' HB2' ' A' ' 52' ' ' PRO . . . -65.25 -35.44 81.04 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.665 178.599 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 103' ' ' MET . . . . . . . . . . . . . 50.7 ttm -60.49 -38.9 85.78 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-O 121.241 0.543 . . . . 0.0 109.784 175.769 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 104' ' ' LYS . . . . . . . . . . . . . 82.2 tttt . . . . . 0 C--N 1.325 -0.458 0 CA-C-N 115.018 -0.992 . . . . 0.0 110.89 177.356 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 81.0 m-20 . . . . . 0 CA--C 1.521 -0.173 0 CA-C-O 120.831 0.348 . . . . 0.0 110.4 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 6' ' ' SER . . . . . 0.606 ' HA ' ' HA ' ' A' ' 46' ' ' GLU . 21.8 m -61.47 140.75 58.02 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.003 -0.544 . . . . 0.0 110.519 177.642 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 7' ' ' PHE . . . . . . . . . . . . . 55.5 t80 -58.2 -45.9 86.8 Favored 'General case' 0 C--N 1.329 -0.309 0 N-CA-C 109.754 -0.462 . . . . 0.0 109.754 178.994 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 5.6 p -54.98 -40.61 70.24 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.358 -0.383 . . . . 0.0 111.564 177.0 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -65.04 -51.92 58.78 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.438 -0.346 . . . . 0.0 111.101 -179.131 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 81.0 mt -68.04 -36.84 76.94 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.256 0 CA-C-O 120.847 0.356 . . . . 0.0 110.451 -179.875 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 11' ' ' TYR . . . . . 0.581 ' OH ' ' HA ' ' A' ' 31' ' ' ALA . 55.9 t80 -61.47 -43.55 98.66 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.808 176.272 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 56.1 tptt -58.3 -44.55 88.58 Favored 'General case' 0 C--O 1.235 0.323 0 CA-C-O 121.058 0.456 . . . . 0.0 110.304 178.515 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 44.8 tt0 -64.28 -50.73 66.74 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 115.705 -0.68 . . . . 0.0 110.284 178.28 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 14' ' ' TRP . . . . . . . . . . . . . 66.6 t90 -58.82 -43.97 90.77 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 115.566 -0.743 . . . . 0.0 111.198 179.573 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 15' ' ' TYR . . . . . 0.575 ' CE1' ' HB2' ' A' ' 31' ' ' ALA . 29.1 t80 -56.42 -60.31 3.71 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.318 -0.401 . . . . 0.0 111.38 -179.575 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 44.0 mt-10 -66.19 -25.21 66.83 Favored 'General case' 0 C--N 1.329 -0.304 0 C-N-CA 121.109 -0.236 . . . . 0.0 111.274 -175.075 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 17' ' ' HIS . . . . . . . . . . . . . 47.8 t60 -70.14 -50.16 43.27 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.883 0.373 . . . . 0.0 110.246 175.684 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 14.4 mmmm -74.17 -21.25 59.92 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.86 0.362 . . . . 0.0 110.711 -179.793 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 47.8 tttm -65.54 -22.26 66.69 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 115.972 -0.558 . . . . 0.0 110.634 176.79 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 96.1 mt-30 -88.74 5.22 44.45 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-O 121.334 0.588 . . . . 0.0 110.141 177.483 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 46.7 t -117.19 -41.56 2.75 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.377 0 CA-C-N 115.401 -0.818 . . . . 0.0 109.948 177.81 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 22' ' ' TRP . . . . . . . . . . . . . 29.2 m0 -82.61 -173.28 4.53 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 115.856 -0.611 . . . . 0.0 110.775 178.673 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 13.1 m -96.46 159.37 14.98 Favored 'General case' 0 C--N 1.323 -0.549 0 N-CA-C 109.033 -0.728 . . . . 0.0 109.033 173.873 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 14.9 p -63.5 -45.62 97.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 N-CA-C 111.936 0.347 . . . . 0.0 111.936 -172.258 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -64.2 -49.01 69.1 Favored Glycine 0 C--N 1.332 0.328 0 C-N-CA 120.743 -0.742 . . . . 0.0 112.076 -179.228 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 26' ' ' TYR . . . . . . . . . . . . . 88.4 t80 -57.47 -44.73 85.08 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-O 120.787 0.327 . . . . 0.0 110.735 178.172 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -65.11 -41.82 94.53 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.364 -0.38 . . . . 0.0 110.887 -179.522 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 53.0 m -64.34 -43.99 92.87 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.357 -0.383 . . . . 0.0 111.061 -179.604 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 49.5 mt-10 -62.95 -46.03 89.67 Favored 'General case' 0 C--O 1.233 0.218 0 CA-C-O 120.715 0.293 . . . . 0.0 111.0 179.126 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 9.7 tt -62.42 -40.7 97.4 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.038 -0.528 . . . . 0.0 110.411 179.054 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 31' ' ' ALA . . . . . 0.581 ' HA ' ' OH ' ' A' ' 11' ' ' TYR . . . -64.0 -47.03 81.95 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 115.841 -0.618 . . . . 0.0 111.615 -178.965 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 54.6 tttp -66.94 -29.93 69.93 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-O 120.816 0.341 . . . . 0.0 110.747 -179.255 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 33' ' ' MET . . . . . 0.443 ' SD ' ' HD2' ' A' ' 70' ' ' ARG . 58.0 ttp -59.21 -44.34 92.27 Favored 'General case' 0 C--N 1.329 -0.326 0 N-CA-C 109.701 -0.481 . . . . 0.0 109.701 174.439 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 34' ' ' PHE . . . . . 0.525 ' CD2' HD12 ' A' ' 38' ' ' ILE . 16.5 m-85 -67.24 -38.63 85.52 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 115.74 -0.664 . . . . 0.0 110.919 176.249 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 35' ' ' ASP . . . . . 0.542 ' HA ' ' HB2' ' A' ' 39' ' ' LEU . 21.2 m-20 -60.38 -63.52 1.27 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.737 0.303 . . . . 0.0 111.122 178.749 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 1.4 m-20 -61.42 -50.32 73.3 Favored 'General case' 0 C--N 1.325 -0.487 0 N-CA-C 113.168 0.803 . . . . 0.0 113.168 -171.306 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 20.1 m-20 -93.38 -28.04 16.4 Favored 'General case' 0 C--N 1.324 -0.528 0 N-CA-C 112.661 0.615 . . . . 0.0 112.661 -171.525 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 38' ' ' ILE . . . . . 0.546 HG12 HG13 ' A' ' 58' ' ' VAL . 9.9 mt -106.49 -37.89 4.06 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 N-CA-C 112.717 0.636 . . . . 0.0 112.717 -169.178 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 39' ' ' LEU . . . . . 0.542 ' HB2' ' HA ' ' A' ' 35' ' ' ASP . 0.4 OUTLIER -62.56 -47.71 87.91 Favored Pre-proline 0 CA--C 1.541 0.608 0 N-CA-C 112.375 0.509 . . . . 0.0 112.375 -172.865 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 40' ' ' PRO . . . . . 0.48 ' HD2' ' N ' ' A' ' 39' ' ' LEU . 42.4 Cg_endo -67.48 -7.49 19.35 Favored 'Trans proline' 0 C--N 1.354 0.848 0 C-N-CA 121.743 1.628 . . . . 0.0 112.662 179.284 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 41' ' ' ILE . . . . . 0.551 HG22 HG23 ' A' ' 42' ' ' ILE . 44.0 mm -97.36 -66.49 1.04 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.429 0 CA-C-N 116.307 -0.406 . . . . 0.0 110.667 -179.918 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 42' ' ' ILE . . . . . 0.551 HG23 HG22 ' A' ' 41' ' ' ILE . 10.5 pt -118.42 3.79 7.14 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.224 0 N-CA-C 112.471 0.545 . . . . 0.0 112.471 -174.752 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 43' ' ' GLY . . . . . 0.438 ' HA3' HD22 ' A' ' 39' ' ' LEU . . . -57.12 -38.22 84.57 Favored Glycine 0 C--O 1.235 0.184 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.997 -175.223 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -92.47 10.33 74.35 Favored Glycine 0 N--CA 1.447 -0.603 0 C-N-CA 120.799 -0.715 . . . . 0.0 112.722 -177.757 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 45' ' ' LEU . . . . . 0.459 HD12 ' HA ' ' A' ' 42' ' ' ILE . 85.3 mt -98.1 150.51 21.36 Favored 'General case' 0 C--N 1.325 -0.462 0 N-CA-C 110.121 -0.326 . . . . 0.0 110.121 179.578 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 46' ' ' GLU . . . . . 0.606 ' HA ' ' HA ' ' A' ' 6' ' ' SER . 32.3 mt-10 -86.32 145.32 26.96 Favored 'General case' 0 C--N 1.319 -0.728 0 CA-C-O 121.036 0.446 . . . . 0.0 110.465 177.443 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 14.7 tt -60.22 -23.78 28.64 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.615 0 CA-C-N 115.267 -0.879 . . . . 0.0 112.688 -167.855 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 72.7 mt-30 -88.6 -18.41 28.08 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.94 0.4 . . . . 0.0 110.824 178.729 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 38.6 t70 -100.82 -19.14 16.09 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 116.004 -0.544 . . . . 0.0 111.754 -168.575 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 50' ' ' ILE . . . . . 0.473 HG13 ' O ' ' A' ' 46' ' ' GLU . 67.7 mt -56.27 130.48 18.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-O 121.064 0.459 . . . . 0.0 111.711 -177.597 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 42.6 mt-10 -86.41 152.47 55.04 Favored Pre-proline 0 C--N 1.325 -0.469 0 CA-C-N 115.701 -0.681 . . . . 0.0 110.682 178.962 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 52' ' ' PRO . . . . . . . . . . . . . 19.5 Cg_endo -59.85 -31.99 94.68 Favored 'Trans proline' 0 C--N 1.344 0.305 0 C-N-CA 122.602 2.201 . . . . 0.0 111.441 176.01 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 53' ' ' MET . . . . . . . . . . . . . 87.7 mtp -62.39 -41.54 98.73 Favored 'General case' 0 C--O 1.225 -0.19 0 CA-C-N 116.017 -0.538 . . . . 0.0 110.847 178.352 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 54' ' ' GLN . . . . . 0.427 ' HB3' HG22 ' A' ' 42' ' ' ILE . 63.1 mt-30 -73.92 -39.54 63.75 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 115.967 -0.56 . . . . 0.0 111.347 -176.788 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 55' ' ' LEU . . . . . 0.48 HD23 ' HB2' ' A' ' 99' ' ' LEU . 19.8 tp -67.32 -35.12 78.79 Favored 'General case' 0 C--N 1.321 -0.642 0 CA-C-O 121.208 0.527 . . . . 0.0 109.817 178.913 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 2.6 tm? -75.38 -32.77 60.91 Favored 'General case' 0 C--N 1.329 -0.319 0 N-CA-C 109.577 -0.527 . . . . 0.0 109.577 176.69 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 46.2 tt0 -58.25 -39.82 80.17 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 115.801 -0.636 . . . . 0.0 109.835 174.148 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 58' ' ' VAL . . . . . 0.546 HG13 HG12 ' A' ' 38' ' ' ILE . 54.1 t -56.73 -54.59 27.34 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.39 0 CA-C-N 115.428 -0.805 . . . . 0.0 110.705 173.397 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 59' ' ' ILE . . . . . 0.448 HG23 ' HB1' ' A' ' 71' ' ' ALA . 1.7 mp -59.44 -39.49 79.3 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.417 0 CA-C-N 116.001 -0.545 . . . . 0.0 110.914 179.647 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 25.5 mtm180 -67.31 -29.68 69.32 Favored 'General case' 0 CA--C 1.517 -0.322 0 C-N-CA 121.185 -0.206 . . . . 0.0 111.428 177.028 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 18.1 tpt85 -60.09 -37.88 81.25 Favored 'General case' 0 C--N 1.326 -0.42 0 N-CA-C 109.322 -0.621 . . . . 0.0 109.322 176.757 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 62' ' ' PHE . . . . . . . . . . . . . 84.8 m-85 -68.0 -39.86 83.16 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 115.661 -0.699 . . . . 0.0 110.794 173.538 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 23.6 mt-10 -62.74 -43.19 99.44 Favored 'General case' 0 N--CA 1.462 0.171 0 CA-C-N 116.5 -0.318 . . . . 0.0 111.054 178.742 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -48.04 -42.75 29.17 Favored 'General case' 0 N--CA 1.465 0.297 0 CA-C-N 115.979 -0.555 . . . . 0.0 111.44 174.115 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 40.1 mtm105 -81.15 -29.27 34.75 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 116.426 -0.352 . . . . 0.0 111.339 179.901 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 107.98 21.91 7.52 Favored Glycine 0 N--CA 1.451 -0.347 0 C-N-CA 120.842 -0.694 . . . . 0.0 112.756 178.464 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -97.01 100.94 12.43 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 122.52 -0.4 . . . . 0.0 110.467 179.101 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 68' ' ' MET . . . . . 0.562 ' HA ' ' CE ' ' A' ' 68' ' ' MET . 9.0 mmt -81.13 -57.26 3.6 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-O 120.596 0.236 . . . . 0.0 111.436 -177.708 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 25.4 tt0 -60.53 -42.38 96.36 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-N 116.383 -0.371 . . . . 0.0 110.91 -178.065 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 70' ' ' ARG . . . . . 0.575 ' HA ' ' HB2' ' A' ' 73' ' ' LYS . 28.6 mtm180 -74.73 -15.74 60.76 Favored 'General case' 0 C--N 1.329 -0.302 0 C-N-CA 120.734 -0.386 . . . . 0.0 111.825 -178.823 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 71' ' ' ALA . . . . . 0.448 ' HB1' HG23 ' A' ' 59' ' ' ILE . . . -70.65 -39.61 73.51 Favored 'General case' 0 C--N 1.33 -0.281 0 N-CA-C 109.391 -0.596 . . . . 0.0 109.391 171.917 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 72' ' ' ASN . . . . . . . . . . . . . 58.0 t30 -73.07 -37.43 66.8 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 115.662 -0.699 . . . . 0.0 109.882 176.343 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 73' ' ' LYS . . . . . 0.575 ' HB2' ' HA ' ' A' ' 70' ' ' ARG . 41.8 mttp -58.77 -40.74 84.82 Favored 'General case' 0 N--CA 1.462 0.15 0 CA-C-N 116.315 -0.402 . . . . 0.0 110.691 174.843 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -56.82 -54.14 49.81 Favored 'General case' 0 CA--C 1.519 -0.225 0 N-CA-C 110.204 -0.295 . . . . 0.0 110.204 176.951 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 57.5 ttt180 -54.13 -49.04 70.1 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 115.906 -0.588 . . . . 0.0 111.123 176.882 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 60.3 ttt180 -61.05 -48.19 82.9 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 115.781 -0.645 . . . . 0.0 111.384 -176.604 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 77' ' ' ARG . . . . . 0.421 ' O ' HG23 ' A' ' 81' ' ' VAL . 9.9 mmp_? -68.96 -38.46 79.42 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.976 -178.673 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 78' ' ' CYS . . . . . . . . . . . . . 81.5 m -64.04 -40.09 95.54 Favored 'General case' 0 C--N 1.332 -0.157 0 N-CA-C 109.992 -0.373 . . . . 0.0 109.992 176.503 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . -57.7 -34.43 70.4 Favored Glycine 0 N--CA 1.449 -0.448 0 C-N-CA 121.216 -0.516 . . . . 0.0 111.821 175.094 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 42.1 tt0 -70.45 -38.03 74.42 Favored 'General case' 0 C--N 1.33 -0.271 0 N-CA-C 110.055 -0.35 . . . . 0.0 110.055 176.608 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 81' ' ' VAL . . . . . 0.421 HG23 ' O ' ' A' ' 77' ' ' ARG . 61.6 t -60.82 -45.58 97.73 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.247 0 N-CA-C 109.952 -0.388 . . . . 0.0 109.952 175.353 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 82' ' ' PHE . . . . . 0.511 ' O ' HG13 ' A' ' 86' ' ' ILE . 60.1 m-85 -60.12 -45.39 93.15 Favored 'General case' 0 C--N 1.332 -0.179 0 CA-C-N 116.028 -0.533 . . . . 0.0 110.167 174.725 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 83' ' ' ARG . . . . . 0.492 ' O ' HG23 ' A' ' 87' ' ' VAL . 22.7 ttt180 -59.7 -45.12 93.09 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 115.876 -0.602 . . . . 0.0 110.815 178.577 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 84' ' ' TYR . . . . . . . . . . . . . 27.6 t80 -58.89 -38.77 79.62 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 115.949 -0.569 . . . . 0.0 109.86 177.901 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -69.53 -34.3 74.04 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 115.766 -0.652 . . . . 0.0 111.014 178.339 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 86' ' ' ILE . . . . . 0.511 HG13 ' O ' ' A' ' 82' ' ' PHE . 77.5 mt -66.57 -43.8 90.41 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 CA-C-O 120.966 0.412 . . . . 0.0 109.983 175.698 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 87' ' ' VAL . . . . . 0.492 HG23 ' O ' ' A' ' 83' ' ' ARG . 98.4 t -61.89 -48.85 86.68 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 115.721 -0.672 . . . . 0.0 110.669 177.544 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 88' ' ' THR . . . . . . . . . . . . . 18.2 p -69.33 -20.34 63.87 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.147 179.671 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . 89.03 27.05 24.66 Favored Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 120.955 -0.64 . . . . 0.0 113.051 176.781 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 64.9 mtt180 -98.62 -28.77 13.4 Favored 'General case' 0 C--N 1.322 -0.608 0 CA-C-O 121.064 0.459 . . . . 0.0 110.628 179.344 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . -120.25 115.81 24.34 Favored 'General case' 0 C--N 1.321 -0.641 0 CA-C-N 116.325 -0.398 . . . . 0.0 110.435 179.775 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 49.8 tttm -83.63 -21.78 32.4 Favored 'General case' 0 C--N 1.324 -0.543 0 CA-C-O 121.231 0.539 . . . . 0.0 109.927 -179.704 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 93' ' ' TYR . . . . . . . . . . . . . 90.2 t80 -147.08 142.38 27.35 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-N 115.473 -0.785 . . . . 0.0 109.562 179.288 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 94' ' ' ASN . . . . . . . . . . . . . 24.6 p-10 -120.27 132.47 24.1 Favored Pre-proline 0 C--N 1.322 -0.593 0 CA-C-O 120.858 0.361 . . . . 0.0 110.181 178.095 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 95' ' ' PRO . . . . . . . . . . . . . 69.1 Cg_endo -76.62 33.47 0.42 Allowed 'Trans proline' 0 CA--C 1.532 0.377 0 C-N-CA 122.827 2.351 . . . . 0.0 112.812 -179.212 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 96' ' ' ALA . . . . . 0.527 ' N ' ' HD2' ' A' ' 97' ' ' PRO . . . -67.38 -47.37 48.52 Favored Pre-proline 0 CA--C 1.537 0.469 0 CA-C-N 116.345 -0.389 . . . . 0.0 111.802 179.674 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 97' ' ' PRO . . . . . 0.527 ' HD2' ' N ' ' A' ' 96' ' ' ALA . 28.5 Cg_endo -64.12 -33.23 62.06 Favored 'Trans proline' 0 C--N 1.356 0.928 0 C-N-CA 121.871 1.714 . . . . 0.0 111.832 174.654 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 6.5 m-20 -68.67 -39.12 80.74 Favored 'General case' 0 C--N 1.326 -0.413 0 CA-C-N 115.99 -0.55 . . . . 0.0 109.943 178.497 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 99' ' ' LEU . . . . . 0.48 ' HB2' HD23 ' A' ' 55' ' ' LEU . 2.9 tm? -57.98 -43.98 86.84 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 115.337 -0.847 . . . . 0.0 109.592 172.906 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 100' ' ' ALA . . . . . 0.582 ' O ' ' HG3' ' A' ' 104' ' ' LYS . . . -58.96 -44.36 91.45 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 115.746 -0.661 . . . . 0.0 110.713 178.63 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 101' ' ' ASP . . . . . 0.706 ' HA ' ' HD2' ' A' ' 104' ' ' LYS . 0.4 OUTLIER -64.16 -33.22 75.3 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.325 -0.398 . . . . 0.0 111.759 179.84 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -69.3 -30.5 68.6 Favored 'General case' 0 C--N 1.324 -0.531 0 CA-C-O 121.241 0.543 . . . . 0.0 110.283 176.638 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 103' ' ' MET . . . . . . . . . . . . . 54.1 ttm -78.16 -23.23 47.77 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-N 115.683 -0.689 . . . . 0.0 110.393 177.552 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 104' ' ' LYS . . . . . 0.706 ' HD2' ' HA ' ' A' ' 101' ' ' ASP . 79.1 mttt . . . . . 0 C--N 1.328 -0.334 0 CA-C-O 121.321 0.582 . . . . 0.0 110.335 177.557 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 85.4 m-20 . . . . . 0 N--CA 1.465 0.285 0 CA-C-O 121.175 0.512 . . . . 0.0 110.175 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 1.6 m -58.37 140.45 53.59 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-N 115.518 -0.765 . . . . 0.0 110.462 178.629 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 7' ' ' PHE . . . . . . . . . . . . . 51.8 t80 -53.25 -48.8 67.94 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.5 -0.318 . . . . 0.0 110.698 -178.98 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 59.3 m -57.23 -32.58 66.69 Favored 'General case' 0 N--CA 1.464 0.253 0 N-CA-C 112.048 0.388 . . . . 0.0 112.048 -179.254 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -69.55 -50.4 45.23 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-O 121.312 0.577 . . . . 0.0 111.239 -176.811 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 10' ' ' ILE . . . . . 0.516 HG21 ' HB2' ' A' ' 85' ' ' ALA . 68.9 mt -74.62 -35.64 38.44 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.619 0 CA-C-N 115.657 -0.701 . . . . 0.0 110.174 -178.841 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 6.4 t80 -58.91 -42.3 89.28 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 115.839 -0.619 . . . . 0.0 110.322 172.363 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 23.1 tptm -55.47 -47.71 75.68 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.291 -0.413 . . . . 0.0 110.491 176.831 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 11.0 tp10 -66.65 -42.65 86.33 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 115.832 -0.622 . . . . 0.0 110.46 -177.679 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 14' ' ' TRP . . . . . 0.628 ' HH2' ' HD3' ' A' ' 77' ' ' ARG . 67.1 t90 -63.12 -47.94 80.65 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 115.589 -0.732 . . . . 0.0 110.688 177.549 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 15' ' ' TYR . . . . . 0.541 ' CE1' ' HB2' ' A' ' 31' ' ' ALA . 37.4 t80 -61.01 -47.64 85.51 Favored 'General case' 0 C--O 1.224 -0.273 0 CA-C-N 116.496 -0.32 . . . . 0.0 111.051 178.399 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 33.2 tt0 -61.03 -28.64 69.2 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 116.432 -0.349 . . . . 0.0 110.92 -176.086 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 17' ' ' HIS . . . . . . . . . . . . . 76.7 t60 -79.18 -45.69 19.41 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.847 0.356 . . . . 0.0 110.346 176.065 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 37.8 mmtm -66.64 -25.62 66.67 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 116.287 -0.415 . . . . 0.0 111.359 -179.863 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 60.4 tttm -60.47 -24.58 65.37 Favored 'General case' 0 C--N 1.323 -0.545 0 CA-C-N 115.697 -0.683 . . . . 0.0 110.941 178.868 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 96.9 mt-30 -73.66 -24.26 59.96 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.651 178.4 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 41.9 t -99.26 -42.04 10.34 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.398 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.108 -175.565 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 22' ' ' TRP . . . . . . . . . . . . . 41.3 m0 -75.95 155.82 34.75 Favored 'General case' 0 C--N 1.323 -0.548 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.175 -177.441 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 12.5 m -69.44 145.86 52.45 Favored 'General case' 0 C--N 1.324 -0.509 0 N-CA-C 108.966 -0.753 . . . . 0.0 108.966 172.5 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 47.8 t -57.33 -45.62 85.21 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.415 0 N-CA-C 112.194 0.442 . . . . 0.0 112.194 -172.4 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -58.86 -50.16 70.47 Favored Glycine 0 N--CA 1.45 -0.415 0 C-N-CA 120.671 -0.776 . . . . 0.0 112.025 177.945 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 26' ' ' TYR . . . . . . . . . . . . . 82.5 t80 -63.08 -42.96 99.75 Favored 'General case' 0 C--N 1.326 -0.429 0 C-N-CA 122.37 0.268 . . . . 0.0 111.075 177.968 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -62.95 -48.69 77.79 Favored 'General case' 0 C--N 1.332 -0.191 0 CA-C-O 120.82 0.343 . . . . 0.0 111.052 -177.08 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 20.0 m -66.27 -36.5 83.14 Favored 'General case' 0 C--N 1.323 -0.554 0 CA-C-N 116.303 -0.408 . . . . 0.0 110.873 -178.215 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 42.1 tt0 -68.93 -46.7 67.57 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.371 -0.377 . . . . 0.0 110.485 179.385 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 30' ' ' LEU . . . . . 0.639 ' O ' ' HG2' ' A' ' 33' ' ' MET . 10.2 tt -59.83 -41.66 91.81 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 116.048 -0.524 . . . . 0.0 109.682 177.719 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 31' ' ' ALA . . . . . 0.541 ' HB2' ' CE1' ' A' ' 15' ' ' TYR . . . -66.85 -35.56 80.32 Favored 'General case' 0 C--N 1.322 -0.622 0 CA-C-N 115.896 -0.593 . . . . 0.0 111.549 -179.485 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 32' ' ' LYS . . . . . 0.504 ' HA ' ' HB3' ' A' ' 35' ' ' ASP . 17.6 tttm -85.82 -14.47 44.97 Favored 'General case' 0 N--CA 1.449 -0.513 0 C-N-CA 119.583 -0.847 . . . . 0.0 111.933 -176.121 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 33' ' ' MET . . . . . 0.639 ' HG2' ' O ' ' A' ' 30' ' ' LEU . 24.2 ptt? -76.28 -31.5 58.28 Favored 'General case' 0 C--N 1.328 -0.351 0 N-CA-C 108.316 -0.994 . . . . 0.0 108.316 171.23 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 34' ' ' PHE . . . . . 0.47 ' CG ' HD12 ' A' ' 38' ' ' ILE . 9.3 m-85 -66.52 -41.39 88.87 Favored 'General case' 0 C--O 1.225 -0.225 0 CA-C-N 115.739 -0.664 . . . . 0.0 109.28 168.923 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 35' ' ' ASP . . . . . 0.613 ' HA ' ' HG ' ' A' ' 39' ' ' LEU . 27.9 t70 -58.22 -72.56 0.09 Allowed 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 115.311 -0.859 . . . . 0.0 111.301 177.881 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 6.3 m-20 -63.37 -32.24 73.61 Favored 'General case' 0 N--CA 1.466 0.368 0 N-CA-C 113.406 0.891 . . . . 0.0 113.406 -171.535 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 37' ' ' ASP . . . . . 0.503 ' HB3' ' HG2' ' A' ' 61' ' ' ARG . 14.7 m-20 -102.4 -44.75 5.29 Favored 'General case' 0 C--N 1.325 -0.498 0 C-N-CA 120.539 -0.464 . . . . 0.0 112.222 -173.158 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 38' ' ' ILE . . . . . 0.553 HG12 HG13 ' A' ' 58' ' ' VAL . 20.7 mt -89.64 -34.68 6.88 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 N-CA-C 112.651 0.612 . . . . 0.0 112.651 -170.376 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 39' ' ' LEU . . . . . 0.613 ' HG ' ' HA ' ' A' ' 35' ' ' ASP . 30.1 mt -64.81 -44.58 73.24 Favored Pre-proline 0 CA--C 1.535 0.379 0 N-CA-C 112.653 0.612 . . . . 0.0 112.653 -175.312 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 40' ' ' PRO . . . . . 0.42 ' HD3' ' HB2' ' A' ' 39' ' ' LEU . 31.2 Cg_exo -62.26 -14.7 39.96 Favored 'Trans proline' 0 C--N 1.353 0.808 0 C-N-CA 121.955 1.77 . . . . 0.0 112.508 174.864 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 41' ' ' ILE . . . . . 0.767 HG22 HG23 ' A' ' 42' ' ' ILE . 50.8 mm -95.07 -65.14 1.18 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.357 0 CA-C-N 116.561 -0.291 . . . . 0.0 111.323 -177.983 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 42' ' ' ILE . . . . . 0.767 HG23 HG22 ' A' ' 41' ' ' ILE . 17.2 pt -128.93 9.39 2.7 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.234 0 N-CA-C 111.734 0.272 . . . . 0.0 111.734 -176.14 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 43' ' ' GLY . . . . . 0.471 ' HA3' ' HA ' ' A' ' 39' ' ' LEU . . . -57.67 -39.12 90.65 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.773 -0.727 . . . . 0.0 112.754 -174.627 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -97.98 16.24 60.48 Favored Glycine 0 N--CA 1.445 -0.743 0 C-N-CA 120.548 -0.834 . . . . 0.0 112.769 -177.206 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 45' ' ' LEU . . . . . 0.416 HD12 ' HA ' ' A' ' 42' ' ' ILE . 95.8 mt -96.35 149.77 21.32 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 116.88 0.34 . . . . 0.0 110.696 178.782 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 30.6 mt-10 -73.24 128.83 36.6 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-N 115.96 -0.564 . . . . 0.0 109.817 177.761 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 47' ' ' ILE . . . . . 0.403 HD11 ' HA ' ' A' ' 82' ' ' PHE . 16.2 tt -60.82 -20.41 21.58 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.43 0 CA-C-O 120.978 0.418 . . . . 0.0 112.124 -173.314 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 69.0 mt-30 -80.77 -25.02 38.21 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 116.397 -0.365 . . . . 0.0 110.949 -179.516 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 33.2 t70 -133.07 77.86 1.76 Allowed 'General case' 0 C--N 1.324 -0.528 0 CA-C-O 121.515 0.674 . . . . 0.0 110.693 -175.535 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 50' ' ' ILE . . . . . . . . . . . . . 72.7 mt -119.65 134.31 63.63 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.673 0 CA-C-N 115.233 -0.894 . . . . 0.0 109.205 176.465 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 51' ' ' GLU . . . . . 0.724 ' HB2' ' HB2' ' A' ' 54' ' ' GLN . 42.4 mm-40 -66.35 129.04 94.15 Favored Pre-proline 0 C--N 1.325 -0.478 0 N-CA-C 110.071 -0.344 . . . . 0.0 110.071 178.56 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 52' ' ' PRO . . . . . . . . . . . . . 49.9 Cg_exo -56.47 -31.56 86.34 Favored 'Trans proline' 0 C--N 1.342 0.196 0 C-N-CA 122.635 2.223 . . . . 0.0 111.273 178.036 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 53' ' ' MET . . . . . . . . . . . . . 37.9 ttm -79.48 -24.87 42.05 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-N 115.482 -0.781 . . . . 0.0 110.339 179.899 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 54' ' ' GLN . . . . . 0.724 ' HB2' ' HB2' ' A' ' 51' ' ' GLU . 10.0 mt-30 -78.21 -34.16 49.53 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-O 120.97 0.414 . . . . 0.0 110.228 175.283 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 55' ' ' LEU . . . . . 0.481 HD23 ' HB2' ' A' ' 99' ' ' LEU . 32.8 tp -66.88 -34.79 78.57 Favored 'General case' 0 C--N 1.324 -0.521 0 N-CA-C 108.812 -0.81 . . . . 0.0 108.812 172.835 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 56' ' ' LEU . . . . . 0.443 ' O ' ' HB2' ' A' ' 60' ' ' ARG . 2.8 tm? -68.25 -32.07 71.99 Favored 'General case' 0 N--CA 1.453 -0.321 0 CA-C-N 115.184 -0.916 . . . . 0.0 109.592 174.176 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 57' ' ' GLU . . . . . 0.431 ' OE1' HG23 ' A' ' 41' ' ' ILE . 40.7 tt0 -64.04 -34.13 77.31 Favored 'General case' 0 C--N 1.33 -0.239 0 N-CA-C 110.131 -0.322 . . . . 0.0 110.131 177.312 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 58' ' ' VAL . . . . . 0.553 HG13 HG12 ' A' ' 38' ' ' ILE . 25.4 t -61.01 -54.0 41.5 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.235 0 CA-C-O 121.17 0.509 . . . . 0.0 110.526 173.745 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 59' ' ' ILE . . . . . . . . . . . . . 1.7 mp -61.83 -38.65 81.05 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 CA-C-N 115.937 -0.574 . . . . 0.0 110.25 177.5 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 60' ' ' ARG . . . . . 0.443 ' HB2' ' O ' ' A' ' 56' ' ' LEU . 0.0 OUTLIER -60.99 -39.0 88.01 Favored 'General case' 0 C--O 1.221 -0.426 0 CA-C-N 115.591 -0.731 . . . . 0.0 109.841 178.223 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 61' ' ' ARG . . . . . 0.514 ' HB3' ' O ' ' A' ' 58' ' ' VAL . 9.9 tpt180 -56.6 -48.66 76.95 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 115.627 -0.715 . . . . 0.0 111.089 177.943 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 62' ' ' PHE . . . . . . . . . . . . . 66.1 m-85 -66.73 -46.91 73.97 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 116.515 -0.311 . . . . 0.0 111.405 179.387 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 43.4 mt-10 -65.32 -29.37 70.1 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.783 0.325 . . . . 0.0 111.336 179.554 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 33.2 t70 -68.19 -33.35 74.27 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.161 178.457 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 19.8 mtm180 -82.9 -12.73 57.14 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 115.91 -0.586 . . . . 0.0 111.017 176.323 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 96.64 5.29 58.89 Favored Glycine 0 N--CA 1.448 -0.532 0 C-N-CA 120.485 -0.864 . . . . 0.0 112.222 177.875 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 67' ' ' ALA . . . . . 0.665 ' HB1' ' HB2' ' A' ' 70' ' ' ARG . . . -83.86 80.56 9.11 Favored 'General case' 0 C--N 1.323 -0.569 0 N-CA-C 109.536 -0.542 . . . . 0.0 109.536 177.457 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 68' ' ' MET . . . . . . . . . . . . . 41.9 mmm -72.17 -38.77 69.07 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-N 115.608 -0.724 . . . . 0.0 110.781 -173.664 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 69' ' ' GLU . . . . . 0.406 ' HG3' ' H ' ' A' ' 69' ' ' GLU . 0.0 OUTLIER -75.3 -34.04 61.25 Favored 'General case' 0 C--N 1.321 -0.632 0 CA-C-N 115.742 -0.663 . . . . 0.0 110.33 -179.444 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 70' ' ' ARG . . . . . 0.665 ' HB2' ' HB1' ' A' ' 67' ' ' ALA . 66.3 mtt-85 -76.18 -21.4 56.54 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.02 177.103 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -68.38 -52.65 30.65 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-O 120.885 0.374 . . . . 0.0 110.075 175.25 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 72' ' ' ASN . . . . . . . . . . . . . 86.0 m-20 -57.89 -37.11 73.38 Favored 'General case' 0 N--CA 1.464 0.249 0 CA-C-N 115.984 -0.553 . . . . 0.0 110.321 173.708 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 73' ' ' LYS . . . . . 0.589 ' HB2' ' HA ' ' A' ' 70' ' ' ARG . 12.3 mptt -59.18 -57.6 12.32 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 115.826 -0.624 . . . . 0.0 110.469 176.332 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -50.83 -47.25 60.21 Favored 'General case' 0 N--CA 1.463 0.222 0 O-C-N 123.409 0.443 . . . . 0.0 110.93 -179.32 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 77.9 ttt180 -55.35 -51.32 67.17 Favored 'General case' 0 C--N 1.323 -0.554 0 CA-C-N 115.426 -0.806 . . . . 0.0 111.42 179.448 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 56.4 ttt-85 -71.96 -39.9 69.03 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.141 -176.873 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 77' ' ' ARG . . . . . 0.628 ' HD3' ' HH2' ' A' ' 14' ' ' TRP . 2.5 mmp_? -62.91 -40.83 98.79 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.613 -179.225 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 78' ' ' CYS . . . . . . . . . . . . . 74.1 m -64.43 -36.73 85.12 Favored 'General case' 0 C--N 1.333 -0.115 0 CA-C-N 116.587 -0.279 . . . . 0.0 110.509 177.717 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . -55.54 -39.36 74.22 Favored Glycine 0 C--N 1.333 0.396 0 C-N-CA 121.026 -0.607 . . . . 0.0 111.829 174.609 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 39.7 mt-10 -64.97 -42.1 94.87 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.479 0.18 . . . . 0.0 110.913 175.33 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 60.3 t -60.31 -43.54 93.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-O 120.958 0.408 . . . . 0.0 110.254 178.278 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 82' ' ' PHE . . . . . 0.531 ' HB3' ' HB3' ' A' ' 94' ' ' ASN . 25.5 m-85 -59.84 -48.06 83.23 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 115.781 -0.645 . . . . 0.0 110.663 177.069 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 83' ' ' ARG . . . . . 0.501 ' O ' HG23 ' A' ' 87' ' ' VAL . 43.1 ttm180 -64.59 -40.52 95.66 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.845 179.509 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 84' ' ' TYR . . . . . . . . . . . . . 18.3 t80 -57.28 -39.89 76.63 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-O 121.303 0.573 . . . . 0.0 109.708 177.719 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 85' ' ' ALA . . . . . 0.516 ' HB2' HG21 ' A' ' 10' ' ' ILE . . . -69.37 -39.18 78.22 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 115.511 -0.768 . . . . 0.0 111.354 177.826 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 86' ' ' ILE . . . . . 0.487 HG13 ' O ' ' A' ' 82' ' ' PHE . 87.1 mt -62.7 -46.36 96.55 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.529 0 CA-C-O 120.787 0.327 . . . . 0.0 110.375 178.565 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 87' ' ' VAL . . . . . 0.501 HG23 ' O ' ' A' ' 83' ' ' ARG . 59.9 t -63.03 -39.74 86.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.154 -0.476 . . . . 0.0 111.157 -179.997 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 88' ' ' THR . . . . . . . . . . . . . 23.7 p -80.99 -0.45 39.62 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 116.307 -0.406 . . . . 0.0 111.73 -177.556 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . 71.16 34.52 64.46 Favored Glycine 0 C--N 1.33 0.214 0 C-N-CA 120.831 -0.7 . . . . 0.0 112.243 179.926 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 90' ' ' ARG . . . . . 0.45 ' HA ' ' HE ' ' A' ' 90' ' ' ARG . 1.7 mmp_? -110.91 -13.44 14.12 Favored 'General case' 0 C--N 1.32 -0.691 0 CA-C-O 120.823 0.344 . . . . 0.0 110.758 -179.816 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . -145.9 154.97 42.55 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.604 -0.271 . . . . 0.0 110.493 177.836 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 63.0 mttp -97.62 -36.57 10.23 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.641 -0.254 . . . . 0.0 111.64 -179.389 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 93' ' ' TYR . . . . . . . . . . . . . 12.2 p90 -147.19 173.09 12.86 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-O 120.656 0.265 . . . . 0.0 110.866 -174.443 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 94' ' ' ASN . . . . . 0.531 ' HB3' ' HB3' ' A' ' 82' ' ' PHE . 7.4 p30 -119.99 130.93 24.6 Favored Pre-proline 0 C--N 1.326 -0.423 0 CA-C-N 116.269 -0.423 . . . . 0.0 109.981 176.053 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 95' ' ' PRO . . . . . 0.451 ' HD3' ' HA ' ' A' ' 94' ' ' ASN . 4.2 Cg_exo -75.94 26.36 0.41 Allowed 'Trans proline' 0 CA--C 1.53 0.281 0 C-N-CA 123.178 2.585 . . . . 0.0 112.661 179.544 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 96' ' ' ALA . . . . . 0.574 ' N ' ' HD2' ' A' ' 97' ' ' PRO . . . -65.0 -46.35 74.26 Favored Pre-proline 0 CA--C 1.537 0.461 0 N-CA-C 112.482 0.549 . . . . 0.0 112.482 -178.116 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 97' ' ' PRO . . . . . 0.574 ' HD2' ' N ' ' A' ' 96' ' ' ALA . 11.5 Cg_endo -56.0 -42.5 66.12 Favored 'Trans proline' 0 C--N 1.355 0.878 0 C-N-CA 122.109 1.872 . . . . 0.0 112.263 175.616 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 26.8 m-20 -70.97 -32.97 69.98 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.379 179.891 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 99' ' ' LEU . . . . . 0.481 ' HB2' HD23 ' A' ' 55' ' ' LEU . 2.5 tm? -58.63 -46.57 86.8 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 115.654 -0.703 . . . . 0.0 110.189 176.348 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 100' ' ' ALA . . . . . . . . . . . . . . . -68.39 -33.46 74.28 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.823 179.915 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 35.3 t70 -68.0 -46.57 70.9 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 115.789 -0.641 . . . . 0.0 110.878 -179.328 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -66.13 -36.61 83.59 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-N 115.952 -0.567 . . . . 0.0 110.872 178.603 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 103' ' ' MET . . . . . . . . . . . . . 47.4 ttm -64.26 -31.31 72.46 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 115.858 -0.61 . . . . 0.0 110.612 178.758 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 104' ' ' LYS . . . . . . . . . . . . . 6.8 ttpm? . . . . . 0 C--N 1.327 -0.392 0 CA-C-N 115.702 -0.681 . . . . 0.0 111.101 -177.325 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 45.8 m-80 . . . . . 0 CA--C 1.517 -0.296 0 CA-C-O 120.57 0.224 . . . . 0.0 110.665 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 12.3 t -66.11 139.45 58.16 Favored 'General case' 0 N--CA 1.449 -0.511 0 N-CA-C 109.495 -0.557 . . . . 0.0 109.495 -179.438 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 7' ' ' PHE . . . . . . . . . . . . . 31.8 t80 -57.38 -37.56 72.85 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 115.931 -0.577 . . . . 0.0 110.855 -176.545 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 13.4 p -61.61 -39.47 91.34 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.523 -0.308 . . . . 0.0 111.416 179.818 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -65.39 -51.43 60.45 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.132 -0.485 . . . . 0.0 111.039 -178.133 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 10' ' ' ILE . . . . . 0.544 HG12 HH11 ' A' ' 90' ' ' ARG . 52.9 mt -69.1 -34.38 63.33 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.437 0 CA-C-N 115.915 -0.584 . . . . 0.0 110.675 -178.566 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 29.1 t80 -60.63 -39.08 86.92 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.016 -0.538 . . . . 0.0 110.635 175.101 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 23.8 tptm -62.53 -46.31 88.96 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.322 -0.399 . . . . 0.0 110.302 179.576 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 45.0 mt-10 -59.47 -49.05 79.28 Favored 'General case' 0 C--O 1.234 0.242 0 CA-C-O 121.171 0.51 . . . . 0.0 110.442 177.447 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 14' ' ' TRP . . . . . . . . . . . . . 57.4 t90 -58.56 -52.28 66.34 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 115.252 -0.886 . . . . 0.0 111.37 -179.718 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 15' ' ' TYR . . . . . 0.444 ' CE1' ' HB2' ' A' ' 31' ' ' ALA . 39.6 t80 -63.69 -51.24 65.94 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.42 -0.354 . . . . 0.0 111.584 -177.997 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -58.89 -38.07 78.02 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.994 0.426 . . . . 0.0 110.765 -175.376 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 17' ' ' HIS . . . . . . . . . . . . . 51.5 t60 -70.24 -53.2 18.0 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 116.029 -0.532 . . . . 0.0 111.312 179.91 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 47.1 mtpt -80.4 -1.6 42.05 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-O 120.749 0.309 . . . . 0.0 111.64 -175.003 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 35.1 ttpt -65.0 -24.59 67.55 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-O 121.138 0.494 . . . . 0.0 109.942 172.702 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 83.0 mt-30 -78.02 -20.54 52.31 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 115.938 -0.574 . . . . 0.0 110.161 177.004 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 35.7 t -87.65 -42.1 14.9 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 CA-C-N 115.686 -0.688 . . . . 0.0 110.904 -174.802 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 22' ' ' TRP . . . . . . . . . . . . . 16.0 m0 -90.55 165.19 13.9 Favored 'General case' 0 C--N 1.32 -0.697 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.633 -178.582 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 12.9 m -68.85 142.63 54.78 Favored 'General case' 0 C--N 1.323 -0.561 0 N-CA-C 108.748 -0.834 . . . . 0.0 108.748 171.18 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 7.3 p -61.83 -31.24 50.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 C-N-CA 121.001 -0.279 . . . . 0.0 111.316 -173.779 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -64.2 -47.04 88.99 Favored Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.751 -0.738 . . . . 0.0 111.645 176.402 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 26' ' ' TYR . . . . . . . . . . . . . 89.7 t80 -67.5 -43.68 80.32 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-O 120.748 0.309 . . . . 0.0 110.391 178.437 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -60.6 -45.7 93.02 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 115.952 -0.567 . . . . 0.0 111.187 -178.498 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 24.7 m -69.34 -37.05 77.51 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-N 116.533 -0.303 . . . . 0.0 111.11 -178.834 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 35.1 tt0 -64.87 -46.9 79.88 Favored 'General case' 0 C--O 1.232 0.161 0 CA-C-O 120.908 0.385 . . . . 0.0 110.181 177.564 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 10.2 tt -60.97 -47.94 84.11 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 115.813 -0.63 . . . . 0.0 110.175 179.594 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 31' ' ' ALA . . . . . 0.444 ' HB2' ' CE1' ' A' ' 15' ' ' TYR . . . -65.93 -38.78 89.56 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 115.902 -0.59 . . . . 0.0 111.621 -178.212 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 32' ' ' LYS . . . . . 0.514 ' HD2' ' HA ' ' A' ' 32' ' ' LYS . 17.2 tptt -67.04 -44.17 80.9 Favored 'General case' 0 C--N 1.33 -0.273 0 C-N-CA 120.792 -0.363 . . . . 0.0 110.38 -177.898 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 33' ' ' MET . . . . . . . . . . . . . 48.1 ttp -62.39 -40.06 95.25 Favored 'General case' 0 C--N 1.322 -0.592 0 CA-C-N 115.931 -0.577 . . . . 0.0 109.874 176.943 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 34' ' ' PHE . . . . . 0.404 ' O ' ' HB ' ' A' ' 38' ' ' ILE . 6.6 t80 -62.38 -49.96 73.46 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 115.321 -0.854 . . . . 0.0 110.637 -179.311 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 35' ' ' ASP . . . . . 0.54 ' HA ' ' HB2' ' A' ' 39' ' ' LEU . 0.9 OUTLIER -72.45 -41.83 65.69 Favored 'General case' 0 C--N 1.33 -0.261 0 C-N-CA 120.149 -0.621 . . . . 0.0 110.775 -177.581 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 37.4 t70 -64.02 -28.22 69.65 Favored 'General case' 0 C--N 1.328 -0.334 0 N-CA-C 112.202 0.445 . . . . 0.0 112.202 -173.468 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 37' ' ' ASP . . . . . 0.529 ' HB3' ' HG2' ' A' ' 61' ' ' ARG . 33.7 m-20 -113.79 -47.72 2.96 Favored 'General case' 0 C--N 1.323 -0.558 0 N-CA-C 112.307 0.484 . . . . 0.0 112.307 179.913 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 38' ' ' ILE . . . . . 0.582 HG12 HG13 ' A' ' 58' ' ' VAL . 16.9 mt -81.69 -29.05 10.12 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.532 0 N-CA-C 112.326 0.491 . . . . 0.0 112.326 -169.888 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 39' ' ' LEU . . . . . 0.54 ' HB2' ' HA ' ' A' ' 35' ' ' ASP . 0.3 OUTLIER -64.15 -49.33 74.1 Favored Pre-proline 0 CA--C 1.537 0.474 0 C-N-CA 120.714 -0.394 . . . . 0.0 111.53 -174.906 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 27.8 Cg_exo -63.78 -11.32 26.1 Favored 'Trans proline' 0 C--N 1.352 0.738 0 C-N-CA 121.966 1.777 . . . . 0.0 112.682 177.954 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 41' ' ' ILE . . . . . 0.558 HG22 HG23 ' A' ' 42' ' ' ILE . 43.2 mm -92.91 -57.35 4.4 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.615 -0.266 . . . . 0.0 111.363 -177.695 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 42' ' ' ILE . . . . . 0.558 HG23 HG22 ' A' ' 41' ' ' ILE . 12.4 pt -130.43 5.17 2.17 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.202 0 N-CA-C 112.605 0.594 . . . . 0.0 112.605 -175.343 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 43' ' ' GLY . . . . . 0.414 ' HA3' HD13 ' A' ' 39' ' ' LEU . . . -57.54 -36.41 77.6 Favored Glycine 0 CA--C 1.519 0.295 0 C-N-CA 120.825 -0.703 . . . . 0.0 113.206 -174.381 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -96.62 12.99 65.91 Favored Glycine 0 N--CA 1.45 -0.417 0 C-N-CA 120.492 -0.861 . . . . 0.0 112.973 -177.921 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 96.7 mt -96.81 156.7 16.24 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 116.954 0.377 . . . . 0.0 110.836 -178.885 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 7.7 mm-40 -73.24 129.03 37.16 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-N 115.701 -0.681 . . . . 0.0 109.467 174.9 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 47' ' ' ILE . . . . . 0.505 HD13 ' HB2' ' A' ' 85' ' ' ALA . 13.8 tt -65.17 -18.12 23.21 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.599 0 CA-C-O 121.315 0.579 . . . . 0.0 110.693 -177.991 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 96.7 mt-30 -81.56 -16.33 52.01 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 115.78 -0.646 . . . . 0.0 110.775 177.854 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 25.9 t70 -144.22 81.98 1.69 Allowed 'General case' 0 C--N 1.327 -0.397 0 CA-C-O 121.24 0.543 . . . . 0.0 111.244 -176.722 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 50' ' ' ILE . . . . . . . . . . . . . 72.5 mt -118.91 130.38 73.81 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.646 0 CA-C-N 115.53 -0.759 . . . . 0.0 109.316 174.098 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 51' ' ' GLU . . . . . 0.795 ' HB2' ' HB2' ' A' ' 54' ' ' GLN . 9.8 mt-10 -66.79 144.0 98.35 Favored Pre-proline 0 C--N 1.326 -0.429 0 CA-C-N 116.338 -0.392 . . . . 0.0 110.482 -176.063 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 52' ' ' PRO . . . . . . . . . . . . . 31.6 Cg_exo -58.92 -41.26 63.87 Favored 'Trans proline' 0 C--N 1.34 0.103 0 C-N-CA 122.234 1.956 . . . . 0.0 111.529 178.105 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 53' ' ' MET . . . . . 0.516 ' HA ' ' HB3' ' A' ' 56' ' ' LEU . 66.7 mtt -80.52 -8.33 59.54 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.66 -179.98 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 54' ' ' GLN . . . . . 0.795 ' HB2' ' HB2' ' A' ' 51' ' ' GLU . 41.4 tp60 -83.92 -46.81 11.7 Favored 'General case' 0 C--N 1.326 -0.421 0 N-CA-C 108.855 -0.795 . . . . 0.0 108.855 176.76 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 26.6 tp -67.01 -30.82 71.03 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 115.446 -0.797 . . . . 0.0 109.047 173.843 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 56' ' ' LEU . . . . . 0.516 ' HB3' ' HA ' ' A' ' 53' ' ' MET . 2.0 tm? -67.06 -32.65 73.97 Favored 'General case' 0 C--O 1.223 -0.34 0 CA-C-N 115.683 -0.689 . . . . 0.0 109.583 174.282 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 57' ' ' GLU . . . . . 0.458 ' HG2' HD12 ' A' ' 41' ' ' ILE . 36.3 tt0 -61.97 -35.21 77.8 Favored 'General case' 0 C--N 1.328 -0.33 0 N-CA-C 109.971 -0.381 . . . . 0.0 109.971 175.966 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 58' ' ' VAL . . . . . 0.582 HG13 HG12 ' A' ' 38' ' ' ILE . 85.5 t -61.35 -56.67 16.31 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.393 0 CA-C-O 121.098 0.475 . . . . 0.0 110.919 172.835 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 59' ' ' ILE . . . . . . . . . . . . . 1.8 mp -56.39 -45.23 81.59 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.408 0 CA-C-N 116.022 -0.536 . . . . 0.0 110.327 178.765 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 60' ' ' ARG . . . . . 0.4 HH11 ' HD3' ' A' ' 60' ' ' ARG . 43.4 ttt-85 -64.59 -34.87 79.27 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 115.539 -0.755 . . . . 0.0 110.702 -179.442 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 61' ' ' ARG . . . . . 0.578 ' HB3' ' O ' ' A' ' 58' ' ' VAL . 8.8 tpt180 -52.39 -43.33 64.67 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 115.82 -0.627 . . . . 0.0 110.195 175.349 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 62' ' ' PHE . . . . . . . . . . . . . 91.7 m-85 -79.33 -40.38 30.45 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 115.955 -0.566 . . . . 0.0 111.457 177.848 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 35.5 mt-10 -60.31 -36.08 77.08 Favored 'General case' 0 N--CA 1.466 0.344 0 N-CA-C 111.741 0.274 . . . . 0.0 111.741 179.947 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 29.1 t70 -60.02 -28.74 67.99 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 116.021 -0.536 . . . . 0.0 111.018 -179.475 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 41.4 mtm-85 -99.8 -3.17 33.28 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.037 -179.728 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 92.54 1.5 68.55 Favored Glycine 0 N--CA 1.45 -0.429 0 C-N-CA 120.561 -0.828 . . . . 0.0 113.225 174.028 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 67' ' ' ALA . . . . . 0.404 ' HB1' ' HB2' ' A' ' 70' ' ' ARG . . . -77.71 85.87 4.01 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-O 121.052 0.453 . . . . 0.0 110.142 179.155 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 68' ' ' MET . . . . . 0.553 ' HA ' ' CE ' ' A' ' 68' ' ' MET . 0.0 OUTLIER -70.71 -45.0 65.73 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-N 115.926 -0.579 . . . . 0.0 110.826 -174.382 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 49.9 mt-10 -60.48 -47.39 86.36 Favored 'General case' 0 CA--C 1.516 -0.359 0 CA-C-O 120.995 0.426 . . . . 0.0 110.499 179.224 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 70' ' ' ARG . . . . . 0.539 ' HA ' ' HB2' ' A' ' 73' ' ' LYS . 62.5 mtt85 -74.78 -18.85 60.41 Favored 'General case' 0 C--N 1.323 -0.57 0 CA-C-N 115.783 -0.644 . . . . 0.0 111.883 -174.06 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -70.13 -42.96 71.93 Favored 'General case' 0 C--N 1.327 -0.41 0 N-CA-C 109.387 -0.598 . . . . 0.0 109.387 170.386 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 72' ' ' ASN . . . . . . . . . . . . . 57.3 t30 -71.17 -39.19 72.04 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 115.448 -0.796 . . . . 0.0 110.252 177.44 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 73' ' ' LYS . . . . . 0.539 ' HB2' ' HA ' ' A' ' 70' ' ' ARG . 67.8 mttm -56.88 -41.65 78.4 Favored 'General case' 0 CA--C 1.519 -0.235 0 CA-C-N 115.994 -0.548 . . . . 0.0 110.576 175.829 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -59.49 -49.75 76.57 Favored 'General case' 0 N--CA 1.453 -0.302 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.285 177.955 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 75' ' ' ARG . . . . . 0.405 ' NH2' ' HB2' ' A' ' 100' ' ' ALA . 41.9 ttt180 -57.45 -48.24 79.69 Favored 'General case' 0 CA--C 1.532 0.259 0 CA-C-O 120.871 0.367 . . . . 0.0 110.824 177.36 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 85.3 mtt180 -65.21 -46.01 82.42 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.099 -0.5 . . . . 0.0 112.239 -177.373 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 77' ' ' ARG . . . . . 0.467 ' O ' HG23 ' A' ' 81' ' ' VAL . 26.7 mmt180 -73.21 -39.14 65.76 Favored 'General case' 0 C--N 1.326 -0.424 0 N-CA-C 111.654 0.242 . . . . 0.0 111.654 -177.093 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 78' ' ' CYS . . . . . . . . . . . . . 78.5 m -62.73 -41.44 99.17 Favored 'General case' 0 C--N 1.328 -0.35 0 N-CA-C 109.49 -0.559 . . . . 0.0 109.49 174.833 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . -63.1 -26.7 69.46 Favored Glycine 0 N--CA 1.452 -0.258 0 C-N-CA 121.16 -0.543 . . . . 0.0 112.209 176.991 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 31.8 tt0 -75.51 -33.69 60.76 Favored 'General case' 0 C--N 1.326 -0.413 0 N-CA-C 109.549 -0.538 . . . . 0.0 109.549 176.693 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 81' ' ' VAL . . . . . 0.467 HG23 ' O ' ' A' ' 77' ' ' ARG . 61.1 t -66.76 -43.0 90.2 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.23 0 CA-C-N 115.895 -0.593 . . . . 0.0 109.944 173.822 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 82' ' ' PHE . . . . . 0.504 ' O ' HG13 ' A' ' 86' ' ' ILE . 58.3 m-85 -59.19 -42.99 92.19 Favored 'General case' 0 C--O 1.231 0.086 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.254 174.813 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 83' ' ' ARG . . . . . 0.447 ' O ' HG23 ' A' ' 87' ' ' VAL . 34.6 ttt-85 -58.16 -47.48 83.24 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-N 116.361 -0.381 . . . . 0.0 110.305 176.586 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 84' ' ' TYR . . . . . . . . . . . . . 82.7 t80 -59.94 -37.91 80.9 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 115.981 -0.554 . . . . 0.0 110.26 178.519 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 85' ' ' ALA . . . . . 0.507 ' HA ' HG22 ' A' ' 88' ' ' THR . . . -64.26 -35.0 79.4 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.98 177.357 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 86' ' ' ILE . . . . . 0.504 HG13 ' O ' ' A' ' 82' ' ' PHE . 67.9 mt -68.85 -46.16 79.65 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.52 0 N-CA-C 109.84 -0.43 . . . . 0.0 109.84 175.528 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 87' ' ' VAL . . . . . 0.447 HG23 ' O ' ' A' ' 83' ' ' ARG . 82.0 t -62.45 -36.35 74.39 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.248 0 CA-C-N 115.885 -0.598 . . . . 0.0 111.317 -179.607 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 88' ' ' THR . . . . . 0.507 HG22 ' HA ' ' A' ' 85' ' ' ALA . 6.1 t -82.34 -3.77 56.02 Favored 'General case' 0 CA--C 1.535 0.385 0 CA-C-O 121.067 0.461 . . . . 0.0 110.609 179.901 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . 79.84 42.53 11.04 Favored Glycine 0 N--CA 1.452 -0.263 0 C-N-CA 121.023 -0.608 . . . . 0.0 113.23 174.941 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 90' ' ' ARG . . . . . 0.544 HH11 HG12 ' A' ' 10' ' ' ILE . 82.1 mtt180 -120.64 -40.92 2.61 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-O 120.787 0.327 . . . . 0.0 111.063 177.125 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . -106.05 165.96 10.84 Favored 'General case' 0 C--N 1.325 -0.5 0 CA-C-N 116.563 -0.29 . . . . 0.0 110.807 -179.124 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 63.3 mttm -108.63 -46.25 3.7 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 116.303 -0.408 . . . . 0.0 111.255 -179.578 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 93' ' ' TYR . . . . . . . . . . . . . 53.5 p90 -145.63 166.59 25.33 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.06 -178.592 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 94' ' ' ASN . . . . . 0.434 ' O ' ' HD2' ' A' ' 97' ' ' PRO . 1.4 m-80 -95.52 131.29 29.87 Favored Pre-proline 0 C--N 1.323 -0.579 0 N-CA-C 108.99 -0.744 . . . . 0.0 108.99 177.666 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 95' ' ' PRO . . . . . . . . . . . . . 74.2 Cg_endo -76.67 17.85 0.76 Allowed 'Trans proline' 0 N--CA 1.464 -0.206 0 C-N-CA 122.439 2.093 . . . . 0.0 112.049 177.828 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 96' ' ' ALA . . . . . 0.525 ' N ' ' HD2' ' A' ' 97' ' ' PRO . . . -57.64 -49.11 95.66 Favored Pre-proline 0 CA--C 1.536 0.406 0 CA-C-N 115.882 -0.599 . . . . 0.0 112.003 179.607 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 97' ' ' PRO . . . . . 0.525 ' HD2' ' N ' ' A' ' 96' ' ' ALA . 11.5 Cg_endo -56.38 -42.54 64.78 Favored 'Trans proline' 0 C--N 1.356 0.95 0 C-N-CA 122.228 1.952 . . . . 0.0 112.591 175.88 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 1.1 t70 -71.54 -33.33 69.06 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-O 121.245 0.545 . . . . 0.0 110.045 -178.27 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 99' ' ' LEU . . . . . . . . . . . . . 3.1 tm? -59.07 -40.09 84.11 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 115.446 -0.797 . . . . 0.0 109.675 173.392 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 100' ' ' ALA . . . . . 0.448 ' O ' ' HB2' ' A' ' 104' ' ' LYS . . . -65.57 -34.43 78.21 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 115.741 -0.663 . . . . 0.0 110.627 179.384 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -75.75 -32.34 59.93 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.392 -0.367 . . . . 0.0 111.563 178.791 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -63.1 -51.54 66.19 Favored 'General case' 0 C--N 1.327 -0.395 0 N-CA-C 109.819 -0.437 . . . . 0.0 109.819 174.721 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 103' ' ' MET . . . . . . . . . . . . . 32.2 ttm -59.77 -33.81 72.17 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 115.527 -0.76 . . . . 0.0 110.668 175.06 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 104' ' ' LYS . . . . . 0.448 ' HB2' ' O ' ' A' ' 100' ' ' ALA . 86.1 tttt . . . . . 0 C--N 1.327 -0.403 0 CA-C-N 115.147 -0.933 . . . . 0.0 110.972 -179.291 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 47.9 t30 . . . . . 0 N--CA 1.465 0.287 0 CA-C-O 121.523 0.677 . . . . 0.0 110.027 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 5.9 m -66.11 141.59 58.06 Favored 'General case' 0 C--O 1.238 0.461 0 CA-C-N 115.336 -0.847 . . . . 0.0 110.763 -178.858 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 7' ' ' PHE . . . . . 0.426 ' HE1' ' CZ ' ' A' ' 34' ' ' PHE . 19.7 t80 -55.33 -48.07 74.71 Favored 'General case' 0 C--N 1.324 -0.539 0 CA-C-N 115.727 -0.669 . . . . 0.0 110.782 -178.963 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 8' ' ' SER . . . . . 0.559 ' HA ' ' HB3' ' A' ' 11' ' ' TYR . 49.7 m -60.68 -31.44 70.68 Favored 'General case' 0 N--CA 1.462 0.159 0 N-CA-C 112.29 0.478 . . . . 0.0 112.29 -178.917 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -65.56 -49.83 67.41 Favored 'General case' 0 C--O 1.236 0.386 0 CA-C-O 121.197 0.522 . . . . 0.0 110.284 -179.629 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 10' ' ' ILE . . . . . 0.483 HD12 HG21 ' A' ' 47' ' ' ILE . 60.4 mt -70.81 -34.59 56.84 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.433 0 CA-C-N 115.712 -0.676 . . . . 0.0 110.086 177.811 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 11' ' ' TYR . . . . . 0.559 ' HB3' ' HA ' ' A' ' 8' ' ' SER . 2.9 t80 -54.7 -44.69 73.64 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 115.987 -0.551 . . . . 0.0 111.182 175.716 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 79.1 tttt -66.09 -45.68 80.36 Favored 'General case' 0 C--N 1.328 -0.333 0 C-N-CA 120.875 -0.33 . . . . 0.0 110.792 -179.954 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 30.6 tt0 -61.2 -45.04 96.22 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-O 121.18 0.514 . . . . 0.0 109.764 179.215 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 14' ' ' TRP . . . . . 0.427 ' CZ2' ' HH2' ' A' ' 22' ' ' TRP . 57.3 t90 -57.75 -50.39 73.4 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 115.086 -0.961 . . . . 0.0 110.775 176.308 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 15' ' ' TYR . . . . . . . . . . . . . 22.1 t80 -57.85 -51.13 70.87 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 115.544 -0.753 . . . . 0.0 111.557 179.613 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 42.2 tt0 -65.8 -31.84 73.03 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-O 121.017 0.437 . . . . 0.0 110.968 -176.558 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 17' ' ' HIS . . . . . . . . . . . . . 86.0 t60 -75.05 -51.55 13.26 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.86 179.457 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 6.8 mmmm -75.86 -7.49 54.62 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.448 -0.342 . . . . 0.0 111.223 -177.066 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 56.4 tttm -60.32 -27.9 67.71 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.043 -0.526 . . . . 0.0 110.65 174.048 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 17.6 mt-30 -74.77 -19.94 60.01 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 115.964 -0.562 . . . . 0.0 110.267 179.334 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 39.2 t -91.26 -40.47 12.55 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.518 0 CA-C-N 115.894 -0.593 . . . . 0.0 110.659 -176.612 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 22' ' ' TRP . . . . . 0.427 ' HH2' ' CZ2' ' A' ' 14' ' ' TRP . 9.3 m0 -91.47 -179.85 5.49 Favored 'General case' 0 C--N 1.322 -0.607 0 CA-C-O 121.215 0.531 . . . . 0.0 110.846 -179.149 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 10.4 m -87.27 147.4 25.55 Favored 'General case' 0 C--N 1.322 -0.596 0 N-CA-C 108.915 -0.772 . . . . 0.0 108.915 173.081 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 13.7 p -60.54 -43.49 94.58 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.359 0 N-CA-C 112.023 0.379 . . . . 0.0 112.023 -172.108 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -66.26 -45.42 86.52 Favored Glycine 0 N--CA 1.452 -0.237 0 C-N-CA 120.761 -0.733 . . . . 0.0 111.775 -179.902 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 26' ' ' TYR . . . . . . . . . . . . . 86.8 t80 -58.58 -46.81 86.14 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-O 120.791 0.329 . . . . 0.0 110.327 176.793 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -62.73 -36.64 83.65 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.022 -0.535 . . . . 0.0 111.012 -179.791 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 75.7 m -64.16 -49.33 72.52 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.402 -0.363 . . . . 0.0 111.054 179.063 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 25.2 mt-10 -68.43 -31.21 70.36 Favored 'General case' 0 C--N 1.329 -0.284 0 C-N-CA 120.926 -0.309 . . . . 0.0 110.917 -179.606 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 14.3 tp -63.6 -53.37 52.69 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.202 -0.454 . . . . 0.0 109.984 174.109 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -62.62 -42.99 99.9 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 115.464 -0.789 . . . . 0.0 111.301 -178.179 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 61.7 tttp -60.76 -43.53 97.89 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.559 -0.291 . . . . 0.0 110.998 179.803 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 33' ' ' MET . . . . . 0.473 ' SD ' ' HD3' ' A' ' 70' ' ' ARG . 53.0 ttp -63.02 -45.53 91.89 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-O 121.346 0.593 . . . . 0.0 110.061 177.796 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 34' ' ' PHE . . . . . 0.548 ' O ' ' HB ' ' A' ' 38' ' ' ILE . 4.9 t80 -60.65 -33.04 72.22 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-N 115.399 -0.819 . . . . 0.0 110.0 178.8 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 35' ' ' ASP . . . . . 0.739 ' O ' ' HB2' ' A' ' 39' ' ' LEU . 14.2 t70 -79.43 -59.24 2.83 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 116.113 -0.494 . . . . 0.0 111.439 -178.526 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 27.5 m-20 -67.58 -14.1 62.64 Favored 'General case' 0 C--N 1.327 -0.384 0 N-CA-C 112.632 0.604 . . . . 0.0 112.632 -173.067 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 -110.3 -47.71 3.26 Favored 'General case' 0 C--N 1.323 -0.559 0 N-CA-C 112.115 0.413 . . . . 0.0 112.115 179.945 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 38' ' ' ILE . . . . . 0.584 HG12 HG13 ' A' ' 58' ' ' VAL . 16.2 mt -91.41 -30.58 4.79 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.414 0 N-CA-C 112.464 0.542 . . . . 0.0 112.464 -170.387 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 39' ' ' LEU . . . . . 0.739 ' HB2' ' O ' ' A' ' 35' ' ' ASP . 0.4 OUTLIER -58.61 -48.25 97.24 Favored Pre-proline 0 N--CA 1.469 0.509 0 N-CA-C 112.728 0.64 . . . . 0.0 112.728 -177.002 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 18.7 Cg_exo -68.44 4.36 1.7 Allowed 'Trans proline' 0 C--N 1.355 0.902 0 C-N-CA 122.168 1.912 . . . . 0.0 112.809 179.045 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 41' ' ' ILE . . . . . 0.408 HG22 HG23 ' A' ' 42' ' ' ILE . 32.9 mm -110.74 -60.59 2.81 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 CA-C-O 120.615 0.245 . . . . 0.0 111.242 -179.816 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 42' ' ' ILE . . . . . 0.484 HG22 ' HB3' ' A' ' 54' ' ' GLN . 27.7 pt -125.24 16.23 4.34 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.197 0 N-CA-C 112.425 0.528 . . . . 0.0 112.425 -174.033 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 43' ' ' GLY . . . . . 0.486 ' HA3' HD13 ' A' ' 39' ' ' LEU . . . -52.07 -53.15 31.96 Favored Glycine 0 CA--C 1.521 0.412 0 C-N-CA 120.947 -0.644 . . . . 0.0 113.433 -175.274 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -94.24 18.63 56.48 Favored Glycine 0 N--CA 1.448 -0.5 0 C-N-CA 120.703 -0.76 . . . . 0.0 113.404 -176.171 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 45' ' ' LEU . . . . . 0.448 HD12 HG22 ' A' ' 42' ' ' ILE . 85.8 mt -92.73 150.86 20.38 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 117.38 0.59 . . . . 0.0 110.24 179.088 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 46' ' ' GLU . . . . . 0.468 ' O ' HG13 ' A' ' 50' ' ' ILE . 44.3 mt-10 -69.64 131.95 45.42 Favored 'General case' 0 CA--C 1.513 -0.453 0 N-CA-C 109.914 -0.402 . . . . 0.0 109.914 176.986 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 47' ' ' ILE . . . . . 0.504 HD13 ' HB2' ' A' ' 85' ' ' ALA . 15.1 tt -64.45 -16.45 19.36 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.766 0 CA-C-O 121.21 0.529 . . . . 0.0 111.2 -177.05 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 52.8 tt0 -99.12 -10.8 22.07 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-N 115.978 -0.556 . . . . 0.0 110.578 -179.437 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 36.7 t70 -140.0 85.02 2.0 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-O 121.215 0.531 . . . . 0.0 110.52 -178.184 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 50' ' ' ILE . . . . . 0.468 HG13 ' O ' ' A' ' 46' ' ' GLU . 71.6 mt -124.01 129.21 74.33 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.669 0 CA-C-N 115.9 -0.591 . . . . 0.0 109.958 178.112 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 46.2 mm-40 -66.6 135.82 94.63 Favored Pre-proline 0 C--N 1.325 -0.478 0 CA-C-N 115.764 -0.653 . . . . 0.0 110.261 178.453 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 52' ' ' PRO . . . . . . . . . . . . . 52.0 Cg_exo -54.0 -32.83 70.3 Favored 'Trans proline' 0 C--N 1.344 0.294 0 C-N-CA 122.813 2.342 . . . . 0.0 111.815 178.342 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 53' ' ' MET . . . . . . . . . . . . . 82.9 mtp -59.56 -43.2 93.64 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 115.747 -0.66 . . . . 0.0 110.331 178.283 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 54' ' ' GLN . . . . . 0.484 ' HB3' HG22 ' A' ' 42' ' ' ILE . 7.8 mp0 -73.57 -43.09 60.67 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 115.835 -0.62 . . . . 0.0 111.572 -177.475 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 55' ' ' LEU . . . . . 0.487 HD23 ' HB2' ' A' ' 99' ' ' LEU . 22.6 tp -65.25 -37.97 88.89 Favored 'General case' 0 C--N 1.324 -0.542 0 CA-C-O 121.42 0.629 . . . . 0.0 109.765 -179.991 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 56' ' ' LEU . . . . . 0.4 ' HA ' HD21 ' A' ' 99' ' ' LEU . 3.2 tp -69.21 -33.51 73.42 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 115.871 -0.604 . . . . 0.0 109.539 176.064 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 12.2 tp10 -62.34 -29.9 70.79 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.068 177.711 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 58' ' ' VAL . . . . . 0.584 HG13 HG12 ' A' ' 38' ' ' ILE . 52.2 t -64.66 -55.76 19.53 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.178 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.412 173.771 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 59' ' ' ILE . . . . . 0.489 HG23 ' HB1' ' A' ' 71' ' ' ALA . 1.8 mp -59.52 -39.1 78.42 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.363 0 CA-C-O 121.11 0.481 . . . . 0.0 109.905 177.162 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 13.3 tpt180 -65.9 -27.16 67.99 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 115.617 -0.72 . . . . 0.0 110.694 179.056 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 61' ' ' ARG . . . . . 0.562 ' HB3' ' O ' ' A' ' 58' ' ' VAL . 3.4 tpm_? -63.61 -41.4 98.3 Favored 'General case' 0 C--N 1.327 -0.384 0 N-CA-C 109.62 -0.511 . . . . 0.0 109.62 175.683 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 62' ' ' PHE . . . . . . . . . . . . . 96.4 m-85 -75.78 -31.85 59.67 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 115.676 -0.693 . . . . 0.0 111.157 177.23 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 37.5 mt-10 -68.09 -29.61 68.59 Favored 'General case' 0 N--CA 1.463 0.181 0 CA-C-O 121.001 0.429 . . . . 0.0 110.07 174.581 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 64' ' ' ASP . . . . . 0.539 ' HB3' ' O ' ' A' ' 61' ' ' ARG . 8.8 t70 -59.35 -45.01 92.57 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 115.504 -0.771 . . . . 0.0 109.788 172.772 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 47.7 mtp180 -69.68 -30.12 67.71 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 115.275 -0.875 . . . . 0.0 110.489 177.157 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 100.56 -0.39 55.54 Favored Glycine 0 N--CA 1.449 -0.486 0 CA-C-N 115.814 -0.63 . . . . 0.0 111.939 179.186 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -82.71 94.23 7.55 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-O 120.799 0.333 . . . . 0.0 110.871 -177.787 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 68' ' ' MET . . . . . 0.527 ' HA ' ' CE ' ' A' ' 68' ' ' MET . 7.1 mmt -65.9 -37.85 87.19 Favored 'General case' 0 C--N 1.324 -0.528 0 CA-C-N 116.028 -0.533 . . . . 0.0 110.176 -179.715 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 38.4 mt-10 -61.64 -46.86 87.99 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 115.459 -0.792 . . . . 0.0 110.576 179.45 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 70' ' ' ARG . . . . . 0.473 ' HD3' ' SD ' ' A' ' 33' ' ' MET . 52.4 mtt180 -74.5 -27.02 60.37 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 115.809 -0.632 . . . . 0.0 111.293 -176.509 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 71' ' ' ALA . . . . . 0.489 ' HB1' HG23 ' A' ' 59' ' ' ILE . . . -66.11 -50.5 63.85 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-O 121.389 0.614 . . . . 0.0 110.208 176.419 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 72' ' ' ASN . . . . . . . . . . . . . 45.1 t-20 -63.19 -41.33 99.18 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 115.305 -0.861 . . . . 0.0 109.765 178.36 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 79.4 tttt -67.38 -35.84 80.15 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 115.66 -0.7 . . . . 0.0 111.066 -179.64 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -57.92 -45.3 86.76 Favored 'General case' 0 CA--C 1.518 -0.272 0 N-CA-C 110.301 -0.259 . . . . 0.0 110.301 177.631 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 47.6 ttt-85 -58.18 -47.94 81.84 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.699 177.765 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 50.0 mtt180 -65.35 -34.66 78.85 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.085 -0.507 . . . . 0.0 111.736 -178.309 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 77' ' ' ARG . . . . . 0.564 ' O ' HG23 ' A' ' 81' ' ' VAL . 10.7 mmt-85 -80.45 -31.33 37.47 Favored 'General case' 0 C--N 1.324 -0.532 0 C-N-CA 120.76 -0.376 . . . . 0.0 111.159 -178.926 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 78' ' ' CYS . . . . . . . . . . . . . 72.6 m -65.81 -41.32 92.03 Favored 'General case' 0 C--N 1.328 -0.364 0 N-CA-C 109.07 -0.715 . . . . 0.0 109.07 170.658 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . -60.19 -37.7 93.33 Favored Glycine 0 N--CA 1.449 -0.464 0 CA-C-N 115.652 -0.704 . . . . 0.0 111.921 174.781 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 5.5 tp10 -61.68 -39.02 89.95 Favored 'General case' 0 CA--C 1.533 0.31 0 CA-C-O 120.861 0.363 . . . . 0.0 110.411 175.227 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 81' ' ' VAL . . . . . 0.564 HG23 ' O ' ' A' ' 77' ' ' ARG . 46.9 t -68.26 -45.24 83.09 Favored 'Isoleucine or valine' 0 C--O 1.233 0.209 0 CA-C-N 116.476 -0.329 . . . . 0.0 110.313 177.098 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 82' ' ' PHE . . . . . 0.503 ' O ' HG13 ' A' ' 86' ' ' ILE . 35.0 m-85 -58.16 -45.54 87.27 Favored 'General case' 0 N--CA 1.465 0.276 0 CA-C-O 121.083 0.468 . . . . 0.0 109.956 174.948 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 83' ' ' ARG . . . . . 0.45 ' O ' HG23 ' A' ' 87' ' ' VAL . 43.9 ttt-85 -54.55 -51.18 66.01 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 115.316 -0.856 . . . . 0.0 110.62 177.048 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 84' ' ' TYR . . . . . . . . . . . . . 63.4 t80 -58.76 -43.06 90.23 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 115.609 -0.723 . . . . 0.0 110.577 177.995 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 85' ' ' ALA . . . . . 0.504 ' HB2' HD13 ' A' ' 47' ' ' ILE . . . -65.22 -40.22 93.8 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 116.058 -0.519 . . . . 0.0 111.556 -179.061 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 86' ' ' ILE . . . . . 0.503 HG13 ' O ' ' A' ' 82' ' ' PHE . 67.7 mt -62.18 -47.39 93.35 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.391 0 CA-C-O 120.773 0.32 . . . . 0.0 110.307 177.43 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 87' ' ' VAL . . . . . 0.45 HG23 ' O ' ' A' ' 83' ' ' ARG . 85.5 t -62.26 -32.83 56.08 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.378 0 CA-C-N 115.957 -0.565 . . . . 0.0 110.985 179.534 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 88' ' ' THR . . . . . . . . . . . . . 31.1 p -91.63 9.46 32.18 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-N 116.265 -0.425 . . . . 0.0 111.285 -179.171 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . 68.27 27.7 73.62 Favored Glycine 0 C--N 1.334 0.452 0 CA-C-N 116.049 -0.523 . . . . 0.0 113.865 173.944 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 54.9 mtm180 -111.53 -13.2 13.86 Favored 'General case' 0 C--N 1.323 -0.574 0 CA-C-N 116.87 0.335 . . . . 0.0 111.483 179.72 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . -122.34 111.29 16.71 Favored 'General case' 0 C--N 1.323 -0.566 0 CA-C-O 120.938 0.399 . . . . 0.0 110.711 177.88 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 64.3 tttm -90.42 -23.44 21.04 Favored 'General case' 0 C--N 1.323 -0.582 0 CA-C-N 115.83 -0.623 . . . . 0.0 110.092 178.106 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 93' ' ' TYR . . . . . . . . . . . . . 71.5 t80 -147.28 145.37 29.37 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 115.738 -0.665 . . . . 0.0 109.781 179.003 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 94' ' ' ASN . . . . . 0.457 ' HA ' ' HD3' ' A' ' 95' ' ' PRO . 31.6 p30 -130.77 146.53 62.37 Favored Pre-proline 0 N--CA 1.452 -0.327 0 CA-C-O 120.984 0.421 . . . . 0.0 110.461 176.37 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 95' ' ' PRO . . . . . 0.457 ' HD3' ' HA ' ' A' ' 94' ' ' ASN . 1.8 Cg_endo -86.1 25.39 0.69 Allowed 'Trans proline' 0 N--CA 1.457 -0.631 0 C-N-CA 123.284 2.656 . . . . 0.0 111.975 177.855 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 96' ' ' ALA . . . . . 0.435 ' HB3' ' HD3' ' A' ' 97' ' ' PRO . . . -61.37 -54.26 54.48 Favored Pre-proline 0 CA--C 1.539 0.553 0 N-CA-C 112.597 0.591 . . . . 0.0 112.597 -175.252 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 97' ' ' PRO . . . . . 0.435 ' HD3' ' HB3' ' A' ' 96' ' ' ALA . 56.5 Cg_endo -71.98 -28.99 15.56 Favored 'Trans proline' 0 C--N 1.354 0.831 0 C-N-CA 121.567 1.511 . . . . 0.0 111.949 178.493 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 28.7 t70 -72.73 -31.86 65.28 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-N 115.768 -0.651 . . . . 0.0 110.437 -177.588 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 99' ' ' LEU . . . . . 0.487 ' HB2' HD23 ' A' ' 55' ' ' LEU . 3.2 tm? -61.4 -39.99 92.75 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 115.94 -0.573 . . . . 0.0 109.794 175.073 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 100' ' ' ALA . . . . . . . . . . . . . . . -64.15 -40.21 95.66 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 115.638 -0.71 . . . . 0.0 110.589 179.505 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 18.7 t70 -67.7 -36.93 81.55 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 115.528 -0.76 . . . . 0.0 110.345 179.079 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -63.71 -55.64 21.76 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 115.89 -0.595 . . . . 0.0 110.767 177.759 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 103' ' ' MET . . . . . . . . . . . . . 44.2 ttm -50.29 -42.89 53.13 Favored 'General case' 0 N--CA 1.465 0.285 0 CA-C-O 120.841 0.353 . . . . 0.0 111.405 175.506 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 104' ' ' LYS . . . . . . . . . . . . . 79.6 tttt . . . . . 0 C--N 1.327 -0.382 0 CA-C-N 115.889 -0.596 . . . . 0.0 111.448 179.746 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' A' A ' 5' ' ' ASN . . . . . 0.465 ' OD1' ' HD3' ' A' ' 90' ' ' ARG . 57.6 t30 . . . . . 0 C--O 1.235 0.303 0 CA-C-O 121.476 0.655 . . . . 0.0 109.437 . . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 4.2 m -65.28 143.76 57.58 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 115.263 -0.881 . . . . 0.0 110.554 -179.445 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 7' ' ' PHE . . . . . . . . . . . . . 45.4 t80 -57.3 -41.87 80.67 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 116.02 -0.537 . . . . 0.0 110.443 179.593 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 39.7 t -59.31 -36.21 75.22 Favored 'General case' 0 CA--C 1.531 0.231 0 CA-C-N 116.379 -0.373 . . . . 0.0 111.634 179.852 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -67.07 -51.14 58.19 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-O 120.97 0.414 . . . . 0.0 110.836 -177.813 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 64.3 mt -67.56 -33.55 62.86 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 CA-C-N 115.829 -0.623 . . . . 0.0 110.175 178.955 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 4.5 t80 -59.17 -47.13 86.44 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 115.967 -0.56 . . . . 0.0 111.133 175.626 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 86.3 tttt -66.7 -36.35 82.28 Favored 'General case' 0 C--N 1.329 -0.316 0 C-N-CA 120.599 -0.44 . . . . 0.0 110.755 -178.999 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 23.9 mm-40 -61.74 -52.9 62.34 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 120.961 0.41 . . . . 0.0 109.949 174.038 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 14' ' ' TRP . . . . . . . . . . . . . 57.5 t90 -54.47 -46.38 73.34 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 115.491 -0.777 . . . . 0.0 110.345 176.955 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 15' ' ' TYR . . . . . . . . . . . . . 40.7 t80 -56.77 -55.41 34.64 Favored 'General case' 0 N--CA 1.45 -0.45 0 CA-C-N 115.533 -0.758 . . . . 0.0 110.998 178.762 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 17.4 tp10 -58.84 -30.27 67.56 Favored 'General case' 0 CA--C 1.53 0.208 0 CA-C-O 120.791 0.329 . . . . 0.0 111.203 -176.287 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 17' ' ' HIS . . . . . . . . . . . . . 42.7 m-70 -71.57 -52.36 18.55 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.767 0.317 . . . . 0.0 110.693 178.382 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 18' ' ' LYS . . . . . 0.436 ' HA ' ' HD2' ' A' ' 18' ' ' LYS . 9.1 mmmm -77.39 -12.33 59.94 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 121.144 0.497 . . . . 0.0 110.797 -177.17 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 40.7 tttm -67.04 -20.89 65.91 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-N 115.47 -0.786 . . . . 0.0 110.433 176.22 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 97.1 mt-30 -87.65 -13.64 42.13 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-N 115.994 -0.548 . . . . 0.0 110.379 175.911 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 60.4 t -88.2 -51.45 12.51 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.536 0 CA-C-N 115.778 -0.646 . . . . 0.0 110.373 179.272 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 22' ' ' TRP . . . . . . . . . . . . . 6.1 m0 -85.99 168.18 14.37 Favored 'General case' 0 C--N 1.323 -0.584 0 CA-C-N 115.711 -0.677 . . . . 0.0 110.0 179.956 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 18.1 m -73.5 147.75 43.76 Favored 'General case' 0 C--N 1.322 -0.589 0 N-CA-C 109.207 -0.664 . . . . 0.0 109.207 175.414 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 42.8 t -56.85 -42.19 77.52 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 N-CA-C 111.754 0.279 . . . . 0.0 111.754 -175.705 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -62.37 -37.42 94.59 Favored Glycine 0 N--CA 1.453 -0.211 0 C-N-CA 120.942 -0.647 . . . . 0.0 111.899 178.344 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 26' ' ' TYR . . . . . . . . . . . . . 77.3 t80 -74.36 -44.05 53.92 Favored 'General case' 0 C--N 1.325 -0.493 0 N-CA-C 110.076 -0.342 . . . . 0.0 110.076 178.374 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -61.32 -43.71 98.42 Favored 'General case' 0 N--CA 1.454 -0.251 0 CA-C-N 116.075 -0.511 . . . . 0.0 110.794 -179.605 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 39.5 m -64.13 -40.66 96.66 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.949 179.587 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 33.6 tt0 -68.97 -43.48 74.86 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 121.039 0.447 . . . . 0.0 110.793 179.764 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 10.1 tt -60.01 -42.68 94.85 Favored 'General case' 0 C--O 1.237 0.416 0 CA-C-N 116.042 -0.527 . . . . 0.0 109.951 177.67 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -68.98 -36.92 78.41 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 115.64 -0.709 . . . . 0.0 110.914 178.615 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 27.2 tptp -56.32 -44.88 80.39 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 120.696 0.284 . . . . 0.0 110.838 179.879 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 33' ' ' MET . . . . . . . . . . . . . 46.7 ttp -68.75 -42.86 76.97 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.988 178.297 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 34' ' ' PHE . . . . . 0.468 ' HA ' HD13 ' A' ' 38' ' ' ILE . 12.5 t80 -67.48 -47.87 68.8 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.191 -177.291 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 35' ' ' ASP . . . . . 0.689 ' HA ' HD23 ' A' ' 39' ' ' LEU . 0.9 OUTLIER -58.98 -54.63 44.93 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.297 -0.41 . . . . 0.0 111.308 178.905 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 33.4 t70 -66.51 -23.87 66.31 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-N 116.283 -0.417 . . . . 0.0 111.825 -172.655 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 37' ' ' ASP . . . . . 0.605 ' HA ' ' NH1' ' A' ' 61' ' ' ARG . 4.1 m-20 -97.17 -58.03 2.12 Favored 'General case' 0 C--N 1.328 -0.333 0 N-CA-C 112.51 0.559 . . . . 0.0 112.51 179.999 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 38' ' ' ILE . . . . . 0.468 HD13 ' HA ' ' A' ' 34' ' ' PHE . 2.1 mp -69.91 -38.72 76.34 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.567 0 N-CA-C 111.953 0.353 . . . . 0.0 111.953 -171.994 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 39' ' ' LEU . . . . . 0.689 HD23 ' HA ' ' A' ' 35' ' ' ASP . 2.7 mm? -60.56 -52.37 73.27 Favored Pre-proline 0 C--N 1.327 -0.409 0 N-CA-C 112.936 0.717 . . . . 0.0 112.936 -173.753 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 40' ' ' PRO . . . . . 0.422 ' HD3' ' HB2' ' A' ' 39' ' ' LEU . 42.4 Cg_exo -59.52 -22.83 68.27 Favored 'Trans proline' 0 C--N 1.35 0.609 0 C-N-CA 122.074 1.849 . . . . 0.0 112.536 177.615 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 41' ' ' ILE . . . . . 0.622 HG22 HG23 ' A' ' 42' ' ' ILE . 23.4 mm -90.71 -67.25 0.79 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.382 0 CA-C-N 116.393 -0.367 . . . . 0.0 110.919 -178.022 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 42' ' ' ILE . . . . . 0.622 HG23 HG22 ' A' ' 41' ' ' ILE . 9.2 pt -124.37 8.45 4.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 N-CA-C 112.287 0.477 . . . . 0.0 112.287 -173.241 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 43' ' ' GLY . . . . . 0.565 ' HA3' ' HA ' ' A' ' 39' ' ' LEU . . . -57.74 -40.5 92.91 Favored Glycine 0 C--O 1.234 0.132 0 C-N-CA 120.973 -0.632 . . . . 0.0 113.381 -174.924 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -93.06 13.53 67.45 Favored Glycine 0 N--CA 1.446 -0.645 0 C-N-CA 120.83 -0.7 . . . . 0.0 112.498 -177.604 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 45' ' ' LEU . . . . . 0.46 HD12 HG22 ' A' ' 42' ' ' ILE . 88.3 mt -97.85 149.98 21.78 Favored 'General case' 0 C--N 1.326 -0.433 0 N-CA-C 110.102 -0.333 . . . . 0.0 110.102 179.176 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 46' ' ' GLU . . . . . 0.484 ' O ' HG13 ' A' ' 50' ' ' ILE . 45.2 mt-10 -77.67 139.33 39.43 Favored 'General case' 0 C--N 1.324 -0.516 0 N-CA-C 109.819 -0.437 . . . . 0.0 109.819 179.1 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 47' ' ' ILE . . . . . 0.48 HD13 ' HB2' ' A' ' 85' ' ' ALA . 13.3 tt -62.81 -21.16 27.09 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.606 0 CA-C-N 115.875 -0.602 . . . . 0.0 112.612 -169.888 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 48' ' ' GLN . . . . . 0.423 ' HG3' HD21 ' A' ' 5' ' ' ASN . 95.3 mt-30 -87.69 -18.23 30.0 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.679 0.276 . . . . 0.0 111.386 178.293 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 1.5 m-20 -125.07 32.62 5.36 Favored 'General case' 0 C--N 1.322 -0.621 0 CA-C-O 121.037 0.446 . . . . 0.0 111.65 -169.444 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 50' ' ' ILE . . . . . 0.484 HG13 ' O ' ' A' ' 46' ' ' GLU . 74.7 mt -83.25 129.7 37.02 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.565 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.398 177.175 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 51' ' ' GLU . . . . . 0.411 ' HA ' ' HD3' ' A' ' 52' ' ' PRO . 9.4 mm-40 -69.58 126.67 92.74 Favored Pre-proline 0 C--N 1.325 -0.499 0 CA-C-N 115.922 -0.581 . . . . 0.0 110.611 179.628 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 52' ' ' PRO . . . . . 0.411 ' HD3' ' HA ' ' A' ' 51' ' ' GLU . 50.8 Cg_exo -54.29 -44.77 46.4 Favored 'Trans proline' 0 C--N 1.342 0.205 0 C-N-CA 122.985 2.456 . . . . 0.0 112.643 179.335 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 53' ' ' MET . . . . . . . . . . . . . 50.7 ttp -68.56 -25.84 65.11 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 121.001 0.429 . . . . 0.0 110.698 -178.95 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 54' ' ' GLN . . . . . 0.491 ' O ' ' HB3' ' A' ' 57' ' ' GLU . 28.0 tt0 -80.45 -32.35 37.24 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-O 121.482 0.658 . . . . 0.0 109.602 179.016 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 40.2 tp -66.62 -32.42 73.73 Favored 'General case' 0 C--N 1.325 -0.465 0 N-CA-C 108.958 -0.756 . . . . 0.0 108.958 171.633 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 56' ' ' LEU . . . . . 0.475 HD13 ' O ' ' A' ' 56' ' ' LEU . 2.1 tm? -67.43 -35.2 78.77 Favored 'General case' 0 C--O 1.221 -0.403 0 CA-C-N 115.31 -0.859 . . . . 0.0 109.277 174.052 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 57' ' ' GLU . . . . . 0.491 ' HB3' ' O ' ' A' ' 54' ' ' GLN . 9.1 tp10 -55.96 -38.56 70.53 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.557 -0.292 . . . . 0.0 110.26 176.444 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 96.0 t -61.94 -55.78 21.96 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.326 0 CA-C-O 121.077 0.465 . . . . 0.0 110.997 174.441 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 59' ' ' ILE . . . . . . . . . . . . . 1.7 mp -58.89 -40.93 81.48 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.36 0 CA-C-O 121.196 0.522 . . . . 0.0 110.723 179.828 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 60' ' ' ARG . . . . . 0.444 ' HA ' ' CB ' ' A' ' 63' ' ' GLU . 55.4 ttp85 -75.56 -21.8 57.56 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-N 115.763 -0.653 . . . . 0.0 110.779 -178.341 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 61' ' ' ARG . . . . . 0.605 ' NH1' ' HA ' ' A' ' 37' ' ' ASP . 1.5 ttt180 -59.4 -46.27 89.15 Favored 'General case' 0 C--N 1.331 -0.208 0 N-CA-C 108.492 -0.929 . . . . 0.0 108.492 172.495 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 62' ' ' PHE . . . . . . . . . . . . . 96.8 m-85 -70.63 -37.54 73.78 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 115.245 -0.889 . . . . 0.0 110.939 175.246 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 63' ' ' GLU . . . . . 0.444 ' CB ' ' HA ' ' A' ' 60' ' ' ARG . 24.4 tt0 -53.18 -46.58 69.02 Favored 'General case' 0 N--CA 1.468 0.432 0 CA-C-N 116.26 -0.427 . . . . 0.0 111.644 -178.962 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 32.1 t70 -58.4 -29.1 65.81 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.51 -177.299 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 84.6 mtt180 -83.44 -13.06 55.62 Favored 'General case' 0 C--N 1.323 -0.565 0 CA-C-N 115.994 -0.548 . . . . 0.0 110.712 -178.322 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 83.37 9.98 82.81 Favored Glycine 0 N--CA 1.448 -0.564 0 N-CA-C 110.375 -1.09 . . . . 0.0 110.375 -169.823 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -83.59 50.12 1.73 Allowed 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 115.128 -0.536 . . . . 0.0 110.388 -177.753 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 68' ' ' MET . . . . . 0.523 ' HA ' ' CE ' ' A' ' 68' ' ' MET . 1.4 mmt -61.97 -34.77 76.76 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 115.776 -0.647 . . . . 0.0 111.359 -177.659 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 2.4 tm-20 -64.92 -49.23 71.23 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-N 116.129 -0.487 . . . . 0.0 109.982 179.773 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 77.7 mtt180 -74.37 -17.56 60.8 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 116.302 -0.408 . . . . 0.0 111.263 179.292 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -70.74 -40.79 72.52 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.868 0.366 . . . . 0.0 110.151 174.916 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 72' ' ' ASN . . . . . . . . . . . . . 40.1 t30 -62.67 -39.57 94.35 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 115.942 -0.572 . . . . 0.0 109.616 174.744 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 44.6 mttp -60.73 -41.38 95.19 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 115.682 -0.69 . . . . 0.0 110.491 173.916 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -59.75 -50.24 74.59 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.619 -0.264 . . . . 0.0 110.923 179.095 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 41.5 ttt180 -58.51 -48.32 81.19 Favored 'General case' 0 C--N 1.329 -0.322 0 O-C-N 123.389 0.431 . . . . 0.0 111.193 179.345 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 54.9 mtm180 -70.11 -37.31 75.31 Favored 'General case' 0 C--N 1.328 -0.351 0 N-CA-C 112.226 0.454 . . . . 0.0 112.226 -176.014 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 77' ' ' ARG . . . . . 0.438 ' O ' HG23 ' A' ' 81' ' ' VAL . 83.2 mtm180 -64.21 -43.24 95.63 Favored 'General case' 0 C--N 1.328 -0.328 0 C-N-CA 120.886 -0.326 . . . . 0.0 110.173 177.506 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 78' ' ' CYS . . . . . . . . . . . . . 73.6 m -63.57 -40.29 96.58 Favored 'General case' 0 C--N 1.331 -0.208 0 N-CA-C 109.676 -0.49 . . . . 0.0 109.676 175.486 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . -58.14 -37.02 84.8 Favored Glycine 0 N--CA 1.45 -0.405 0 CA-C-N 115.915 -0.584 . . . . 0.0 112.594 176.994 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 22.1 tt0 -71.58 -35.87 70.7 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.71 0.255 . . . . 0.0 110.38 178.444 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 81' ' ' VAL . . . . . 0.438 HG23 ' O ' ' A' ' 77' ' ' ARG . 66.9 t -62.4 -45.07 99.64 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.233 0 N-CA-C 109.707 -0.479 . . . . 0.0 109.707 173.669 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 82' ' ' PHE . . . . . 0.576 ' O ' HG13 ' A' ' 86' ' ' ILE . 29.4 m-85 -59.88 -43.16 94.89 Favored 'General case' 0 C--O 1.227 -0.097 0 CA-C-N 115.926 -0.579 . . . . 0.0 110.192 174.229 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 83' ' ' ARG . . . . . 0.499 ' O ' HG23 ' A' ' 87' ' ' VAL . 36.7 ttp180 -59.13 -43.65 92.0 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 115.994 -0.548 . . . . 0.0 110.523 -179.989 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 84' ' ' TYR . . . . . . . . . . . . . 18.5 t80 -63.85 -34.26 77.53 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-O 121.052 0.453 . . . . 0.0 109.946 179.016 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 85' ' ' ALA . . . . . 0.491 ' HA ' ' OG1' ' A' ' 88' ' ' THR . . . -71.09 -28.49 64.37 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.666 176.826 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 86' ' ' ILE . . . . . 0.576 HG13 ' O ' ' A' ' 82' ' ' PHE . 69.3 mt -72.09 -39.32 65.49 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.585 0 CA-C-O 121.144 0.497 . . . . 0.0 109.785 174.831 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 87' ' ' VAL . . . . . 0.499 HG23 ' O ' ' A' ' 83' ' ' ARG . 68.1 t -67.62 -34.54 68.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 115.637 -0.71 . . . . 0.0 110.851 177.797 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 88' ' ' THR . . . . . 0.491 ' OG1' ' HA ' ' A' ' 85' ' ' ALA . 14.5 p -79.76 -8.68 59.4 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.947 0.403 . . . . 0.0 111.194 177.928 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . 83.86 17.31 65.82 Favored Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.873 -0.679 . . . . 0.0 112.78 176.586 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 90' ' ' ARG . . . . . 0.465 ' HD3' ' OD1' ' A' ' 5' ' ' ASN . 66.0 mtt180 -91.7 -64.45 1.12 Allowed 'General case' 0 C--N 1.326 -0.424 0 CA-C-O 121.084 0.468 . . . . 0.0 110.799 179.927 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . -81.94 118.15 22.73 Favored 'General case' 0 C--N 1.321 -0.67 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.274 -177.335 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 85.5 mttt -100.91 -14.19 18.02 Favored 'General case' 0 C--N 1.32 -0.702 0 CA-C-O 121.513 0.673 . . . . 0.0 110.02 -178.053 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 93' ' ' TYR . . . . . . . . . . . . . 71.4 t80 -147.2 130.25 16.35 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-N 114.945 -1.025 . . . . 0.0 109.323 174.35 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 94' ' ' ASN . . . . . . . . . . . . . 24.7 p-10 -111.96 134.8 21.31 Favored Pre-proline 0 C--N 1.32 -0.715 0 N-CA-C 109.43 -0.582 . . . . 0.0 109.43 175.447 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 95' ' ' PRO . . . . . 0.436 ' O ' ' HB2' ' A' ' 99' ' ' LEU . 72.9 Cg_endo -76.08 29.36 0.39 Allowed 'Trans proline' 0 CA--C 1.528 0.186 0 C-N-CA 122.847 2.365 . . . . 0.0 113.119 -175.29 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 96' ' ' ALA . . . . . 0.528 ' HB3' ' HD3' ' A' ' 97' ' ' PRO . . . -68.01 -48.51 38.95 Favored Pre-proline 0 CA--C 1.541 0.607 0 N-CA-C 112.057 0.391 . . . . 0.0 112.057 -179.145 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 97' ' ' PRO . . . . . 0.528 ' HD3' ' HB3' ' A' ' 96' ' ' ALA . 30.1 Cg_exo -63.28 -42.74 21.04 Favored 'Trans proline' 0 C--N 1.355 0.919 0 C-N-CA 121.962 1.774 . . . . 0.0 112.138 177.072 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 36.7 t70 -66.7 -34.09 77.09 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.508 -179.897 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 99' ' ' LEU . . . . . 0.436 ' HB2' ' O ' ' A' ' 95' ' ' PRO . 2.9 tm? -55.85 -40.47 72.91 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-N 115.818 -0.628 . . . . 0.0 110.05 176.382 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 100' ' ' ALA . . . . . . . . . . . . . . . -66.27 -46.55 76.65 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.868 179.91 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 24.4 t70 -64.14 -40.21 95.67 Favored 'General case' 0 C--O 1.234 0.274 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.973 179.991 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -63.44 -44.54 94.25 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-N 115.774 -0.648 . . . . 0.0 110.378 177.383 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 103' ' ' MET . . . . . . . . . . . . . 41.0 ttm -56.72 -46.46 81.27 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.057 -0.519 . . . . 0.0 111.165 178.427 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 104' ' ' LYS . . . . . . . . . . . . . 74.5 mmtt . . . . . 0 C--N 1.327 -0.377 0 CA-C-N 115.871 -0.604 . . . . 0.0 111.377 -178.252 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' A' A ' 5' ' ' ASN . . . . . 0.47 HD22 ' N ' ' A' ' 5' ' ' ASN . 0.9 OUTLIER . . . . . 0 CA--C 1.52 -0.203 0 N-CA-C 109.209 -0.664 . . . . 0.0 109.209 . . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 19.9 m -69.03 143.41 54.32 Favored 'General case' 0 N--CA 1.449 -0.484 0 CA-C-N 115.192 -0.913 . . . . 0.0 109.723 174.244 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 7' ' ' PHE . . . . . . . . . . . . . 35.4 t80 -58.68 -42.24 88.07 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 116.457 -0.338 . . . . 0.0 111.58 -174.907 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 23.0 t -62.03 -31.98 72.44 Favored 'General case' 0 C--O 1.234 0.259 0 CA-C-O 120.85 0.357 . . . . 0.0 111.338 -178.601 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -70.87 -47.06 61.28 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.995 0.426 . . . . 0.0 110.76 -178.647 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 81.0 mt -70.38 -33.79 55.47 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.437 0 CA-C-N 116.079 -0.51 . . . . 0.0 110.374 178.627 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 1.2 t80 -56.61 -40.52 75.5 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.442 173.2 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 18.2 tptm -66.26 -42.01 89.09 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-O 120.793 0.33 . . . . 0.0 110.54 -178.996 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 9.9 tp10 -63.41 -46.54 85.91 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 121.233 0.539 . . . . 0.0 109.74 176.623 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 14' ' ' TRP . . . . . . . . . . . . . 60.3 t90 -57.67 -50.54 72.84 Favored 'General case' 0 C--O 1.237 0.409 0 CA-C-N 115.308 -0.86 . . . . 0.0 110.665 177.32 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 15' ' ' TYR . . . . . 0.492 ' CE1' ' HB2' ' A' ' 31' ' ' ALA . 34.8 t80 -58.57 -47.6 83.73 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 115.97 -0.559 . . . . 0.0 111.276 -179.397 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 42.0 tt0 -58.93 -38.19 78.42 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.732 0.301 . . . . 0.0 111.497 -175.821 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 17' ' ' HIS . . . . . . . . . . . . . 12.3 m170 -73.81 -46.96 42.05 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 116.601 -0.272 . . . . 0.0 110.856 -178.634 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 33.1 mmtm -68.39 -24.51 64.78 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-O 120.874 0.369 . . . . 0.0 110.951 178.793 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 64.2 tttm -63.75 -23.61 67.43 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 115.916 -0.584 . . . . 0.0 110.997 179.857 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 45.5 mm-40 -89.47 -6.29 56.59 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-O 121.07 0.462 . . . . 0.0 110.099 -179.688 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 48.9 t -104.04 -45.27 9.54 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 CA-C-N 115.84 -0.618 . . . . 0.0 110.448 -179.089 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 22' ' ' TRP . . . . . . . . . . . . . 26.3 m0 -80.86 179.47 7.82 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-N 115.79 -0.641 . . . . 0.0 110.764 -179.579 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 6.9 m -81.83 148.79 28.65 Favored 'General case' 0 C--N 1.323 -0.566 0 CA-C-N 115.849 -0.614 . . . . 0.0 109.364 175.052 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 11.3 p -56.27 -40.81 68.04 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.396 0 N-CA-C 111.64 0.237 . . . . 0.0 111.64 -178.112 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -69.19 -47.82 50.32 Favored Glycine 0 N--CA 1.449 -0.47 0 C-N-CA 120.655 -0.783 . . . . 0.0 111.773 179.044 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 26' ' ' TYR . . . . . . . . . . . . . 65.1 t80 -56.87 -43.71 81.51 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.851 0.358 . . . . 0.0 110.383 177.528 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -66.57 -46.58 75.53 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 115.85 -0.614 . . . . 0.0 111.371 -179.433 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 32.8 m -63.99 -39.45 94.15 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-O 120.883 0.373 . . . . 0.0 110.887 -179.606 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 39.0 tt0 -65.03 -47.9 75.78 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-O 121.203 0.525 . . . . 0.0 110.358 178.483 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 8.1 tt -62.89 -45.34 93.01 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 115.476 -0.784 . . . . 0.0 110.36 -179.491 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 31' ' ' ALA . . . . . 0.492 ' HB2' ' CE1' ' A' ' 15' ' ' TYR . . . -63.37 -34.47 77.8 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.021 -0.536 . . . . 0.0 111.626 -178.495 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 32' ' ' LYS . . . . . 0.419 ' HA ' ' HD2' ' A' ' 32' ' ' LYS . 46.0 tptt -69.9 -39.8 76.02 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.814 0.34 . . . . 0.0 110.52 179.132 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 33' ' ' MET . . . . . . . . . . . . . 12.5 tmm? -62.37 -48.87 77.88 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.005 -0.543 . . . . 0.0 110.065 176.76 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 34' ' ' PHE . . . . . 0.447 ' CG ' HD12 ' A' ' 38' ' ' ILE . 3.1 t80 -62.63 -38.78 91.58 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 115.806 -0.634 . . . . 0.0 109.985 179.117 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 35' ' ' ASP . . . . . 0.574 ' O ' ' HD3' ' A' ' 40' ' ' PRO . 14.9 t70 -62.56 -66.39 0.55 Allowed 'General case' 0 C--N 1.323 -0.565 0 CA-C-N 115.291 -0.868 . . . . 0.0 111.691 -178.851 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 26.7 t70 -66.69 -30.08 70.24 Favored 'General case' 0 C--O 1.237 0.442 0 CA-C-N 115.803 -0.635 . . . . 0.0 112.497 -169.316 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 37' ' ' ASP . . . . . 0.594 ' HA ' ' NH1' ' A' ' 61' ' ' ARG . 50.0 m-20 -98.38 -43.79 6.79 Favored 'General case' 0 C--N 1.322 -0.595 0 N-CA-C 112.789 0.663 . . . . 0.0 112.789 -174.079 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 38' ' ' ILE . . . . . 0.471 HG12 HG13 ' A' ' 58' ' ' VAL . 20.9 mt -91.68 -39.86 11.91 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.616 0 N-CA-C 112.208 0.447 . . . . 0.0 112.208 -171.628 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 39' ' ' LEU . . . . . 0.411 ' HB2' ' O ' ' A' ' 35' ' ' ASP . 43.6 mt -65.31 -41.06 48.93 Favored Pre-proline 0 CA--C 1.54 0.594 0 N-CA-C 113.612 0.967 . . . . 0.0 113.612 -173.559 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 40' ' ' PRO . . . . . 0.574 ' HD3' ' O ' ' A' ' 35' ' ' ASP . 23.4 Cg_exo -67.52 -9.9 26.91 Favored 'Trans proline' 0 C--N 1.35 0.633 0 C-N-CA 121.725 1.617 . . . . 0.0 112.745 176.693 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 41' ' ' ILE . . . . . 0.591 HG22 HG23 ' A' ' 42' ' ' ILE . 19.6 mm -96.93 -54.13 7.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.686 -0.233 . . . . 0.0 111.066 -178.935 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 42' ' ' ILE . . . . . 0.591 HG23 HG22 ' A' ' 41' ' ' ILE . 15.2 pt -131.16 9.56 1.88 Allowed 'Isoleucine or valine' 0 C--N 1.332 -0.195 0 N-CA-C 112.343 0.497 . . . . 0.0 112.343 -176.246 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -61.44 -36.87 93.18 Favored Glycine 0 N--CA 1.453 -0.181 0 C-N-CA 120.769 -0.729 . . . . 0.0 112.536 -175.226 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -94.04 12.61 68.9 Favored Glycine 0 N--CA 1.446 -0.662 0 C-N-CA 120.753 -0.737 . . . . 0.0 112.513 -178.874 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 45' ' ' LEU . . . . . 0.444 HD12 ' HA ' ' A' ' 42' ' ' ILE . 93.1 mt -96.23 151.53 19.41 Favored 'General case' 0 C--N 1.326 -0.431 0 N-CA-C 110.105 -0.331 . . . . 0.0 110.105 178.231 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 48.8 mt-10 -74.38 132.96 42.46 Favored 'General case' 0 C--N 1.325 -0.487 0 N-CA-C 108.907 -0.775 . . . . 0.0 108.907 178.336 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 47' ' ' ILE . . . . . 0.402 HD13 ' CB ' ' A' ' 85' ' ' ALA . 18.6 tt -62.87 -17.51 19.32 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.647 0 CA-C-O 121.043 0.449 . . . . 0.0 111.494 -174.748 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 79.1 mt-30 -86.32 -20.47 28.3 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.836 179.249 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 21.8 t70 -140.05 86.47 2.09 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-O 121.284 0.564 . . . . 0.0 111.063 -178.981 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 50' ' ' ILE . . . . . 0.435 ' HB ' ' HG2' ' A' ' 95' ' ' PRO . 75.9 mt -115.05 136.68 50.99 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.818 0 CA-C-N 115.353 -0.84 . . . . 0.0 109.951 175.527 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 1.5 tm-20 -66.19 124.72 88.68 Favored Pre-proline 0 C--N 1.325 -0.487 0 CA-C-N 115.973 -0.558 . . . . 0.0 109.911 -179.644 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 52' ' ' PRO . . . . . . . . . . . . . 52.4 Cg_exo -53.34 -39.06 82.65 Favored 'Trans proline' 0 C--O 1.232 0.198 0 C-N-CA 123.021 2.481 . . . . 0.0 112.556 179.985 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 53' ' ' MET . . . . . . . . . . . . . 90.3 mtp -74.97 -20.6 59.6 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.49 -0.323 . . . . 0.0 111.125 -177.615 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 59.1 mt-30 -83.22 -43.87 15.63 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.518 -0.31 . . . . 0.0 110.884 177.657 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 55' ' ' LEU . . . . . 0.43 ' O ' ' HB ' ' A' ' 58' ' ' VAL . 54.0 tp -61.74 -40.15 94.1 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-O 121.646 0.736 . . . . 0.0 109.412 176.01 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 56' ' ' LEU . . . . . 0.588 HD13 ' HG3' ' A' ' 60' ' ' ARG . 2.4 tm? -68.04 -31.08 70.49 Favored 'General case' 0 C--N 1.323 -0.566 0 CA-C-N 115.357 -0.838 . . . . 0.0 109.963 176.337 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 57' ' ' GLU . . . . . 0.4 ' HA ' ' HB2' ' A' ' 60' ' ' ARG . 11.1 tt0 -73.32 -20.92 60.68 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-O 120.55 0.214 . . . . 0.0 110.684 178.146 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 58' ' ' VAL . . . . . 0.523 ' O ' ' HB3' ' A' ' 61' ' ' ARG . 77.1 t -63.7 -55.17 24.14 Favored 'Isoleucine or valine' 0 C--O 1.238 0.474 0 N-CA-C 108.779 -0.823 . . . . 0.0 108.779 168.659 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 59' ' ' ILE . . . . . . . . . . . . . 1.7 mp -56.37 -39.71 62.43 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.633 0 CA-C-N 114.791 -1.095 . . . . 0.0 110.483 176.295 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 60' ' ' ARG . . . . . 0.588 ' HG3' HD13 ' A' ' 56' ' ' LEU . 26.5 mtp180 -76.42 -20.77 56.76 Favored 'General case' 0 C--N 1.332 -0.187 0 N-CA-C 111.943 0.349 . . . . 0.0 111.943 -179.652 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 61' ' ' ARG . . . . . 0.594 ' NH1' ' HA ' ' A' ' 37' ' ' ASP . 14.8 tpt180 -57.69 -40.25 79.03 Favored 'General case' 0 C--N 1.328 -0.343 0 N-CA-C 108.425 -0.954 . . . . 0.0 108.425 171.195 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 62' ' ' PHE . . . . . . . . . . . . . 93.0 m-85 -79.58 -38.28 34.4 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 115.128 -0.942 . . . . 0.0 111.351 174.814 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 63' ' ' GLU . . . . . 0.574 ' HB3' ' HA ' ' A' ' 60' ' ' ARG . 40.4 tt0 -59.02 -56.86 16.77 Favored 'General case' 0 N--CA 1.469 0.496 0 N-CA-C 112.004 0.372 . . . . 0.0 112.004 -176.917 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 3.6 m-20 -59.57 -29.01 67.65 Favored 'General case' 0 N--CA 1.464 0.256 0 CA-C-O 120.973 0.416 . . . . 0.0 110.914 -178.49 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 40.0 ttm180 -73.46 -32.61 64.44 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-N 115.779 -0.646 . . . . 0.0 111.094 -179.944 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 101.89 17.74 19.97 Favored Glycine 0 N--CA 1.449 -0.461 0 C-N-CA 120.558 -0.829 . . . . 0.0 111.878 -176.583 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -104.56 83.16 2.0 Favored 'General case' 0 C--N 1.324 -0.508 0 N-CA-C 109.742 -0.466 . . . . 0.0 109.742 177.983 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 68' ' ' MET . . . . . . . . . . . . . 57.9 mmm -79.3 -37.03 38.71 Favored 'General case' 0 C--N 1.323 -0.554 0 CA-C-N 116.089 -0.505 . . . . 0.0 111.303 -171.108 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 69' ' ' GLU . . . . . 0.529 ' O ' ' HG3' ' A' ' 73' ' ' LYS . 51.2 mm-40 -61.93 -48.12 81.84 Favored 'General case' 0 C--N 1.326 -0.427 0 N-CA-C 110.072 -0.344 . . . . 0.0 110.072 176.253 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 63.9 mtt85 -62.09 -33.46 74.49 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.114 -0.494 . . . . 0.0 111.036 177.892 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -63.92 -38.42 91.01 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-O 120.932 0.396 . . . . 0.0 110.857 178.149 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 72' ' ' ASN . . . . . . . . . . . . . 66.5 t30 -78.08 -35.35 49.52 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 116.35 -0.386 . . . . 0.0 110.234 178.833 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 73' ' ' LYS . . . . . 0.529 ' HG3' ' O ' ' A' ' 69' ' ' GLU . 68.9 mttm -57.05 -47.64 80.47 Favored 'General case' 0 CA--C 1.522 -0.116 0 N-CA-C 109.627 -0.509 . . . . 0.0 109.627 173.813 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -58.55 -50.23 74.55 Favored 'General case' 0 N--CA 1.453 -0.286 0 CA-C-N 115.714 -0.676 . . . . 0.0 110.491 176.255 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 29.4 ttm180 -49.49 -60.8 2.52 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 115.361 -0.836 . . . . 0.0 112.143 -177.166 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 76' ' ' ARG . . . . . 0.434 HH11 ' HD3' ' A' ' 76' ' ' ARG . 17.2 mtm180 -78.03 -28.54 49.09 Favored 'General case' 0 C--N 1.327 -0.407 0 N-CA-C 111.983 0.364 . . . . 0.0 111.983 -172.178 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 77' ' ' ARG . . . . . 0.467 ' O ' HG23 ' A' ' 81' ' ' VAL . 46.8 mtt180 -79.12 -28.14 42.92 Favored 'General case' 0 C--N 1.328 -0.352 0 C-N-CA 120.41 -0.516 . . . . 0.0 111.525 -179.164 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 78' ' ' CYS . . . . . . . . . . . . . 96.1 m -64.87 -41.9 95.27 Favored 'General case' 0 C--N 1.33 -0.277 0 N-CA-C 108.756 -0.831 . . . . 0.0 108.756 169.543 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . -57.55 -35.09 71.35 Favored Glycine 0 N--CA 1.448 -0.509 0 CA-C-N 115.526 -0.761 . . . . 0.0 112.199 173.61 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 33.7 tt0 -66.81 -41.36 87.68 Favored 'General case' 0 C--N 1.331 -0.207 0 N-CA-C 110.193 -0.299 . . . . 0.0 110.193 177.277 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 81' ' ' VAL . . . . . 0.467 HG23 ' O ' ' A' ' 77' ' ' ARG . 59.1 t -62.7 -44.85 99.79 Favored 'Isoleucine or valine' 0 C--O 1.234 0.259 0 CA-C-O 120.776 0.322 . . . . 0.0 110.417 176.81 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 82' ' ' PHE . . . . . 0.502 ' O ' HG13 ' A' ' 86' ' ' ILE . 36.2 m-85 -58.41 -50.55 73.27 Favored 'General case' 0 C--N 1.333 -0.151 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.232 175.646 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 6.0 ttp180 -56.82 -39.57 74.44 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 115.489 -0.778 . . . . 0.0 111.286 178.646 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 84' ' ' TYR . . . . . . . . . . . . . 37.4 t80 -64.85 -52.56 55.98 Favored 'General case' 0 C--O 1.219 -0.532 0 CA-C-N 116.3 -0.409 . . . . 0.0 110.088 179.139 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 85' ' ' ALA . . . . . 0.606 ' HA ' ' HB ' ' A' ' 88' ' ' THR . . . -55.05 -28.95 56.16 Favored 'General case' 0 C--N 1.327 -0.408 0 N-CA-C 111.951 0.352 . . . . 0.0 111.951 178.293 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 86' ' ' ILE . . . . . 0.502 HG13 ' O ' ' A' ' 82' ' ' PHE . 82.6 mt -66.18 -50.79 66.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.722 -0.217 . . . . 0.0 110.691 176.635 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 87' ' ' VAL . . . . . . . . . . . . . 29.7 m -73.48 -24.37 20.19 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.218 0 CA-C-O 121.251 0.548 . . . . 0.0 110.497 177.747 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 88' ' ' THR . . . . . 0.606 ' HB ' ' HA ' ' A' ' 85' ' ' ALA . 25.6 m -65.99 -31.8 72.92 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 115.32 -0.854 . . . . 0.0 110.775 173.022 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . 95.25 21.48 24.84 Favored Glycine 0 N--CA 1.448 -0.534 0 C-N-CA 120.76 -0.733 . . . . 0.0 112.271 179.145 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 60.7 mtt85 -118.33 1.89 11.86 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-O 120.859 0.362 . . . . 0.0 110.952 179.592 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 91' ' ' ALA . . . . . 0.467 ' O ' ' HA ' ' A' ' 86' ' ' ILE . . . -142.3 135.98 29.28 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-N 116.387 -0.37 . . . . 0.0 110.343 176.103 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 86.8 tttt -100.16 -42.22 6.79 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-O 121.42 0.628 . . . . 0.0 109.76 178.326 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 93' ' ' TYR . . . . . . . . . . . . . 43.5 p90 -139.46 172.89 12.15 Favored 'General case' 0 C--N 1.323 -0.562 0 N-CA-C 108.797 -0.816 . . . . 0.0 108.797 174.031 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 94' ' ' ASN . . . . . 0.421 ' HB3' ' HB3' ' A' ' 82' ' ' PHE . 25.1 p30 -131.39 157.78 77.14 Favored Pre-proline 0 C--N 1.321 -0.673 0 CA-C-O 120.702 0.287 . . . . 0.0 110.979 -176.879 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 95' ' ' PRO . . . . . 0.435 ' HG2' ' HB ' ' A' ' 50' ' ' ILE . 3.3 Cg_exo -78.86 19.89 0.84 Allowed 'Trans proline' 0 CA--C 1.53 0.323 0 C-N-CA 123.028 2.485 . . . . 0.0 112.64 176.753 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 96' ' ' ALA . . . . . 0.556 ' N ' ' HD2' ' A' ' 97' ' ' PRO . . . -65.87 -45.59 64.77 Favored Pre-proline 0 CA--C 1.539 0.53 0 N-CA-C 111.75 0.278 . . . . 0.0 111.75 179.662 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 97' ' ' PRO . . . . . 0.556 ' HD2' ' N ' ' A' ' 96' ' ' ALA . 10.2 Cg_endo -55.69 -35.18 92.69 Favored 'Trans proline' 0 C--N 1.355 0.903 0 C-N-CA 122.144 1.896 . . . . 0.0 112.165 173.231 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 14.5 m-20 -77.85 -30.46 50.95 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.5 179.539 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 99' ' ' LEU . . . . . 0.646 HD11 ' HE3' ' A' ' 103' ' ' MET . 3.2 tm? -60.19 -50.51 73.39 Favored 'General case' 0 C--N 1.329 -0.295 0 N-CA-C 109.12 -0.696 . . . . 0.0 109.12 172.472 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 100' ' ' ALA . . . . . . . . . . . . . . . -62.04 -36.98 83.25 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 115.808 -0.633 . . . . 0.0 110.581 178.004 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 9.5 t70 -60.02 -55.75 30.15 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 115.754 -0.657 . . . . 0.0 110.876 177.894 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -64.26 -42.16 96.6 Favored 'General case' 0 C--N 1.323 -0.563 0 CA-C-N 115.686 -0.688 . . . . 0.0 110.929 -177.873 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 103' ' ' MET . . . . . 0.646 ' HE3' HD11 ' A' ' 99' ' ' LEU . 50.6 ttm -63.86 -31.0 72.03 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.018 -0.537 . . . . 0.0 110.979 179.893 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 104' ' ' LYS . . . . . . . . . . . . . 50.5 tttm . . . . . 0 C--N 1.326 -0.414 0 CA-C-N 116.289 -0.414 . . . . 0.0 110.528 177.429 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' A' A ' 5' ' ' ASN . . . . . 0.413 HD22 ' N ' ' A' ' 5' ' ' ASN . 0.9 OUTLIER . . . . . 0 C--O 1.232 0.147 0 CA-C-O 120.652 0.263 . . . . 0.0 111.224 . . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 6' ' ' SER . . . . . 0.547 ' HA ' ' HA ' ' A' ' 46' ' ' GLU . 49.8 m -65.71 145.23 56.27 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-O 120.7 0.286 . . . . 0.0 110.242 176.555 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 7' ' ' PHE . . . . . . . . . . . . . 45.2 t80 -56.05 -42.21 76.26 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 115.915 -0.584 . . . . 0.0 111.0 -176.457 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 45.7 t -53.61 -38.86 64.42 Favored 'General case' 0 C--O 1.234 0.248 0 CA-C-N 116.38 -0.373 . . . . 0.0 111.619 179.11 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -70.57 -50.18 40.02 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.007 -176.722 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 10' ' ' ILE . . . . . 0.414 HD13 ' HB2' ' A' ' 85' ' ' ALA . 80.5 mt -69.9 -38.47 75.69 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 CA-C-N 115.936 -0.574 . . . . 0.0 110.651 -178.558 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 43.6 t80 -56.97 -41.73 78.88 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.812 175.457 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 66.4 tttm -66.22 -43.33 87.0 Favored 'General case' 0 C--N 1.329 -0.294 0 C-N-CA 120.711 -0.396 . . . . 0.0 110.673 -179.56 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 37.1 tt0 -63.32 -44.93 93.53 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.865 0.364 . . . . 0.0 110.253 178.478 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 14' ' ' TRP . . . . . . . . . . . . . 66.0 t90 -60.03 -50.29 74.32 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 115.87 -0.605 . . . . 0.0 110.525 177.028 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 15' ' ' TYR . . . . . 0.457 ' CE1' ' HB2' ' A' ' 31' ' ' ALA . 17.8 t80 -60.18 -48.05 83.37 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.179 178.331 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 28.9 tt0 -63.5 -35.91 82.04 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-O 121.06 0.457 . . . . 0.0 110.469 -176.602 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 17' ' ' HIS . . . . . . . . . . . . . 63.7 t60 -71.81 -44.26 64.23 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 115.827 -0.624 . . . . 0.0 110.423 178.082 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 24.7 mmtm -73.57 -19.18 60.96 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.342 -0.39 . . . . 0.0 111.51 179.5 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 63.8 tttm -65.77 -19.16 65.79 Favored 'General case' 0 C--N 1.324 -0.543 0 CA-C-O 121.267 0.556 . . . . 0.0 109.977 177.699 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 71.6 mt-30 -88.03 -8.77 55.11 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 115.744 -0.662 . . . . 0.0 110.326 177.994 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 57.4 t -102.45 -47.95 10.95 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 CA-C-N 116.026 -0.534 . . . . 0.0 111.171 -176.12 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 22' ' ' TRP . . . . . . . . . . . . . 10.5 m0 -86.23 172.59 10.39 Favored 'General case' 0 C--N 1.322 -0.614 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.934 -177.562 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 43.6 m -78.37 152.87 32.06 Favored 'General case' 0 C--N 1.324 -0.507 0 N-CA-C 109.232 -0.655 . . . . 0.0 109.232 171.957 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 8.4 p -61.44 -31.09 49.51 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-O 120.591 0.234 . . . . 0.0 111.472 -174.237 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -64.59 -57.25 13.22 Favored Glycine 0 C--N 1.331 0.261 0 C-N-CA 120.859 -0.686 . . . . 0.0 112.075 178.689 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 26' ' ' TYR . . . . . . . . . . . . . 64.5 t80 -57.69 -41.77 82.31 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-O 120.778 0.323 . . . . 0.0 110.564 176.947 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -61.16 -45.04 96.28 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.01 -0.541 . . . . 0.0 111.359 -179.199 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 58.6 m -62.97 -45.72 91.11 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-O 120.897 0.38 . . . . 0.0 110.73 179.216 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 15.2 tp10 -58.64 -52.57 65.12 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 115.729 -0.668 . . . . 0.0 110.891 -179.577 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 10.4 tt -63.9 -43.5 95.79 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 115.737 -0.665 . . . . 0.0 110.47 -178.274 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 31' ' ' ALA . . . . . 0.457 ' HB2' ' CE1' ' A' ' 15' ' ' TYR . . . -64.62 -42.84 95.23 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 116.074 -0.512 . . . . 0.0 111.794 -177.104 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 32' ' ' LYS . . . . . 0.475 ' O ' ' HB2' ' A' ' 36' ' ' ASP . 56.4 tttp -65.02 -53.2 49.77 Favored 'General case' 0 C--O 1.22 -0.477 0 C-N-CA 120.191 -0.604 . . . . 0.0 111.19 -176.423 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 33' ' ' MET . . . . . 0.49 ' SD ' ' HD2' ' A' ' 70' ' ' ARG . 26.2 ptt? -58.36 -39.46 79.62 Favored 'General case' 0 C--O 1.236 0.345 0 C-N-CA 120.694 -0.402 . . . . 0.0 110.814 -177.279 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 34' ' ' PHE . . . . . 0.443 ' CD2' HD12 ' A' ' 38' ' ' ILE . 0.2 OUTLIER -66.38 -56.26 11.9 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 115.875 -0.602 . . . . 0.0 110.483 179.26 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 35' ' ' ASP . . . . . 0.95 ' HA ' HD23 ' A' ' 39' ' ' LEU . 14.2 t70 -62.05 -48.55 79.75 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-O 120.906 0.384 . . . . 0.0 111.616 -179.0 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 36' ' ' ASP . . . . . 0.475 ' HB2' ' O ' ' A' ' 32' ' ' LYS . 4.4 t70 -57.16 -43.55 82.64 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-N 115.7 -0.682 . . . . 0.0 111.865 -173.454 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -100.02 -44.33 6.05 Favored 'General case' 0 C--N 1.328 -0.353 0 N-CA-C 112.657 0.614 . . . . 0.0 112.657 -175.427 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 38' ' ' ILE . . . . . 0.584 HG12 HG13 ' A' ' 58' ' ' VAL . 34.2 mt -79.05 -33.0 15.59 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 N-CA-C 112.632 0.604 . . . . 0.0 112.632 -169.848 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 39' ' ' LEU . . . . . 0.95 HD23 ' HA ' ' A' ' 35' ' ' ASP . 2.5 mm? -59.68 -48.2 95.85 Favored Pre-proline 0 CA--C 1.536 0.435 0 N-CA-C 112.206 0.447 . . . . 0.0 112.206 -178.399 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 31.6 Cg_exo -62.04 -16.42 49.98 Favored 'Trans proline' 0 C--N 1.351 0.663 0 C-N-CA 121.87 1.713 . . . . 0.0 113.133 175.428 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 41' ' ' ILE . . . . . 0.576 HG22 HG23 ' A' ' 42' ' ' ILE . 66.4 mt -91.95 -58.48 3.57 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.211 0 N-CA-C 111.644 0.238 . . . . 0.0 111.644 -177.561 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 42' ' ' ILE . . . . . 0.576 HG23 HG22 ' A' ' 41' ' ' ILE . 12.2 pt -128.6 3.69 2.95 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.287 0 N-CA-C 111.956 0.354 . . . . 0.0 111.956 -177.835 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 43' ' ' GLY . . . . . 0.562 ' HA3' HD13 ' A' ' 39' ' ' LEU . . . -60.7 -35.56 89.94 Favored Glycine 0 N--CA 1.452 -0.265 0 C-N-CA 120.712 -0.756 . . . . 0.0 112.56 -176.676 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -89.92 5.23 83.4 Favored Glycine 0 N--CA 1.446 -0.676 0 C-N-CA 120.887 -0.673 . . . . 0.0 112.57 179.776 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 96.0 mt -95.63 148.35 22.63 Favored 'General case' 0 C--N 1.328 -0.33 0 N-CA-C 110.039 -0.356 . . . . 0.0 110.039 -179.67 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 46' ' ' GLU . . . . . 0.547 ' HA ' ' HA ' ' A' ' 6' ' ' SER . 36.2 mt-10 -76.79 130.25 37.41 Favored 'General case' 0 C--N 1.322 -0.62 0 N-CA-C 109.062 -0.718 . . . . 0.0 109.062 176.786 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 47' ' ' ILE . . . . . 0.565 HD11 ' HA ' ' A' ' 82' ' ' PHE . 15.4 tt -59.56 -20.67 19.18 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 CA-C-N 116.015 -0.539 . . . . 0.0 111.978 -170.52 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 84.9 mt-30 -78.26 -28.76 47.76 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 116.495 -0.32 . . . . 0.0 111.135 -179.905 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 25.2 m-20 -109.31 10.19 25.63 Favored 'General case' 0 C--N 1.329 -0.286 0 N-CA-C 112.132 0.419 . . . . 0.0 112.132 -171.507 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 50' ' ' ILE . . . . . . . . . . . . . 63.9 mt -67.41 125.56 25.19 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.562 0 CA-C-O 120.827 0.346 . . . . 0.0 110.179 177.432 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 51' ' ' GLU . . . . . 0.563 ' HG3' ' HB2' ' A' ' 54' ' ' GLN . 4.6 pt-20 -87.31 155.5 54.43 Favored Pre-proline 0 C--N 1.325 -0.494 0 CA-C-N 115.91 -0.586 . . . . 0.0 110.913 -177.236 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 52' ' ' PRO . . . . . 0.406 ' HD2' ' HB2' ' A' ' 51' ' ' GLU . 12.5 Cg_endo -56.1 -42.57 65.13 Favored 'Trans proline' 0 C--N 1.346 0.402 0 C-N-CA 123.205 2.603 . . . . 0.0 113.223 -178.321 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 53' ' ' MET . . . . . . . . . . . . . 63.9 mtt -78.95 -15.33 58.44 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.585 0.231 . . . . 0.0 111.568 -175.736 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 54' ' ' GLN . . . . . 0.563 ' HB2' ' HG3' ' A' ' 51' ' ' GLU . 41.8 tp60 -84.7 -37.73 20.6 Favored 'General case' 0 C--N 1.328 -0.368 0 N-CA-C 109.399 -0.593 . . . . 0.0 109.399 176.907 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 55' ' ' LEU . . . . . 0.425 ' O ' ' HB ' ' A' ' 58' ' ' VAL . 33.0 tp -68.81 -33.61 74.14 Favored 'General case' 0 C--N 1.326 -0.435 0 N-CA-C 108.691 -0.855 . . . . 0.0 108.691 172.597 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 47.0 tp -69.13 -26.91 65.13 Favored 'General case' 0 C--O 1.221 -0.437 0 CA-C-N 115.505 -0.771 . . . . 0.0 110.054 174.239 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 8.5 tt0 -65.07 -36.98 86.05 Favored 'General case' 0 C--N 1.329 -0.292 0 N-CA-C 109.429 -0.582 . . . . 0.0 109.429 176.788 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 58' ' ' VAL . . . . . 0.584 HG13 HG12 ' A' ' 38' ' ' ILE . 38.5 t -59.46 -50.8 78.57 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 CA-C-N 115.579 -0.737 . . . . 0.0 110.699 173.08 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 59' ' ' ILE . . . . . 0.404 HG21 ' CE ' ' A' ' 103' ' ' MET . 31.8 mm -68.74 -37.95 78.2 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.531 0 CA-C-N 116.424 -0.353 . . . . 0.0 110.354 -179.281 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 40.6 ttp85 -57.39 -36.42 71.27 Favored 'General case' 0 C--N 1.332 -0.171 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.172 174.081 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 61' ' ' ARG . . . . . 0.556 ' HB3' ' O ' ' A' ' 58' ' ' VAL . 24.8 tpt180 -59.27 -47.2 86.25 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 115.788 -0.642 . . . . 0.0 110.423 175.95 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 62' ' ' PHE . . . . . 0.477 ' O ' ' HB2' ' A' ' 65' ' ' ARG . 61.7 m-85 -70.18 -32.65 70.67 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.339 -0.391 . . . . 0.0 111.401 179.279 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 34.3 tt0 -64.98 -46.43 81.48 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 121.062 0.458 . . . . 0.0 110.137 175.201 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 35.4 t70 -65.68 -25.29 67.27 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 115.459 -0.791 . . . . 0.0 110.574 179.078 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 65' ' ' ARG . . . . . 0.477 ' HB2' ' O ' ' A' ' 62' ' ' PHE . 28.1 mtt-85 -64.75 -37.15 86.62 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 115.881 -0.6 . . . . 0.0 111.122 173.574 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 98.05 -1.54 59.38 Favored Glycine 0 N--CA 1.445 -0.702 0 N-CA-C 110.233 -1.147 . . . . 0.0 110.233 -169.194 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -90.1 72.47 7.31 Favored 'General case' 0 N--CA 1.452 -0.346 0 CA-C-N 115.132 -0.534 . . . . 0.0 109.64 178.236 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 68' ' ' MET . . . . . . . . . . . . . 69.1 mmm -69.82 -37.9 76.39 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-N 115.769 -0.65 . . . . 0.0 111.026 -173.897 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 27.1 mt-10 -67.68 -38.89 84.32 Favored 'General case' 0 C--N 1.321 -0.636 0 CA-C-N 115.986 -0.552 . . . . 0.0 110.499 -179.406 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 70' ' ' ARG . . . . . 0.49 ' HD2' ' SD ' ' A' ' 33' ' ' MET . 72.7 mtm180 -78.87 -17.31 55.8 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.337 -0.392 . . . . 0.0 111.004 176.57 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -68.59 -44.91 73.34 Favored 'General case' 0 C--N 1.332 -0.195 0 CA-C-O 121.147 0.498 . . . . 0.0 110.104 174.673 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 72' ' ' ASN . . . . . . . . . . . . . 38.9 m-80 -65.16 -36.36 83.98 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 115.714 -0.675 . . . . 0.0 109.988 175.306 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 84.6 tttt -67.5 -40.11 85.19 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.01 -0.541 . . . . 0.0 110.669 178.34 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -54.44 -43.46 71.63 Favored 'General case' 0 CA--C 1.521 -0.138 0 CA-C-O 120.86 0.362 . . . . 0.0 110.347 176.213 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 75' ' ' ARG . . . . . 0.4 ' HG3' ' CD1' ' A' ' 99' ' ' LEU . 28.2 ttm180 -57.71 -51.99 67.28 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 115.654 -0.703 . . . . 0.0 110.952 179.377 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 34.9 ttm180 -64.04 -45.26 89.65 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 115.919 -0.582 . . . . 0.0 111.35 -176.906 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 77' ' ' ARG . . . . . 0.422 HH11 ' HD2' ' A' ' 77' ' ' ARG . 2.0 mmp_? -65.71 -42.25 91.32 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.502 -0.317 . . . . 0.0 111.046 -177.776 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 78' ' ' CYS . . . . . 0.502 ' O ' ' HD1' ' A' ' 82' ' ' PHE . 80.7 m -62.6 -45.43 92.91 Favored 'General case' 0 C--N 1.333 -0.127 0 C-N-CA 121.255 -0.178 . . . . 0.0 110.54 178.575 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . -57.95 -34.42 71.99 Favored Glycine 0 C--N 1.333 0.412 0 C-N-CA 120.84 -0.695 . . . . 0.0 111.979 177.508 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 31.0 tt0 -67.11 -39.75 86.74 Favored 'General case' 0 C--N 1.329 -0.299 0 N-CA-C 110.115 -0.328 . . . . 0.0 110.115 177.237 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 89.3 t -63.11 -44.76 99.65 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.196 0 CA-C-O 120.839 0.352 . . . . 0.0 110.483 177.02 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 82' ' ' PHE . . . . . 0.565 ' HA ' HD11 ' A' ' 47' ' ' ILE . 47.9 m-85 -58.9 -47.16 85.95 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.649 177.181 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 83' ' ' ARG . . . . . 0.438 ' HA ' HD12 ' A' ' 86' ' ' ILE . 20.7 ttp85 -68.07 -33.81 75.25 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.334 -0.393 . . . . 0.0 110.586 -179.972 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 84' ' ' TYR . . . . . . . . . . . . . 21.8 t80 -59.55 -41.24 89.64 Favored 'General case' 0 C--N 1.329 -0.29 0 N-CA-C 109.419 -0.585 . . . . 0.0 109.419 176.098 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 85' ' ' ALA . . . . . 0.51 ' HA ' ' OG1' ' A' ' 88' ' ' THR . . . -69.25 -30.96 69.21 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-N 115.438 -0.801 . . . . 0.0 111.034 177.88 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 86' ' ' ILE . . . . . 0.496 HG13 ' O ' ' A' ' 82' ' ' PHE . 73.1 mt -64.55 -47.08 90.63 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.397 0 CA-C-O 121.095 0.474 . . . . 0.0 109.987 175.991 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 87' ' ' VAL . . . . . 0.413 HG23 ' O ' ' A' ' 83' ' ' ARG . 54.3 t -65.4 -35.09 74.48 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.364 0 CA-C-N 115.735 -0.666 . . . . 0.0 111.003 179.537 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 88' ' ' THR . . . . . 0.51 ' OG1' ' HA ' ' A' ' 85' ' ' ALA . 17.2 p -83.57 2.85 35.18 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 116.43 -0.35 . . . . 0.0 111.651 -179.11 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . 70.57 41.24 65.96 Favored Glycine 0 C--N 1.332 0.339 0 C-N-CA 121.088 -0.577 . . . . 0.0 112.578 176.573 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 76.9 mtt180 -124.29 -29.05 3.59 Favored 'General case' 0 C--N 1.323 -0.56 0 CA-C-O 120.751 0.31 . . . . 0.0 110.971 -179.463 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 91' ' ' ALA . . . . . 0.406 ' O ' ' HA ' ' A' ' 86' ' ' ILE . . . -118.42 137.38 53.19 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-O 120.866 0.365 . . . . 0.0 110.8 179.786 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 77.9 tttt -104.82 -37.25 7.1 Favored 'General case' 0 C--N 1.321 -0.632 0 CA-C-N 115.846 -0.615 . . . . 0.0 110.844 178.655 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 93' ' ' TYR . . . . . . . . . . . . . 91.6 t80 -139.0 137.56 36.45 Favored 'General case' 0 C--N 1.324 -0.531 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.853 -176.169 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 94' ' ' ASN . . . . . . . . . . . . . 10.2 p30 -113.49 138.75 22.66 Favored Pre-proline 0 C--N 1.326 -0.426 0 N-CA-C 109.508 -0.553 . . . . 0.0 109.508 174.77 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 95' ' ' PRO . . . . . . . . . . . . . 85.1 Cg_endo -82.17 28.54 0.56 Allowed 'Trans proline' 0 N--CA 1.463 -0.317 0 C-N-CA 122.72 2.28 . . . . 0.0 112.464 179.689 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 96' ' ' ALA . . . . . 0.572 ' N ' ' HD2' ' A' ' 97' ' ' PRO . . . -65.6 -45.53 67.6 Favored Pre-proline 0 CA--C 1.537 0.475 0 N-CA-C 112.577 0.584 . . . . 0.0 112.577 -177.739 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 97' ' ' PRO . . . . . 0.572 ' HD2' ' N ' ' A' ' 96' ' ' ALA . 5.7 Cg_endo -51.53 -45.74 35.87 Favored 'Trans proline' 0 C--N 1.358 1.035 0 C-N-CA 122.093 1.862 . . . . 0.0 112.486 175.06 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 8.4 m-20 -80.52 -21.27 42.03 Favored 'General case' 0 C--O 1.224 -0.261 0 C-N-CA 121.096 -0.241 . . . . 0.0 111.353 179.104 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 99' ' ' LEU . . . . . 0.437 ' HB3' ' O ' ' A' ' 96' ' ' ALA . 2.5 tm? -59.68 -50.43 73.88 Favored 'General case' 0 C--N 1.327 -0.403 0 N-CA-C 109.219 -0.66 . . . . 0.0 109.219 173.603 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 100' ' ' ALA . . . . . . . . . . . . . . . -68.71 -34.73 76.14 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 115.684 -0.689 . . . . 0.0 110.662 179.038 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 30.3 t70 -69.82 -41.21 75.29 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 116.013 -0.54 . . . . 0.0 111.151 -178.684 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -66.58 -48.22 70.29 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.287 178.036 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 103' ' ' MET . . . . . 0.404 ' CE ' HG21 ' A' ' 59' ' ' ILE . 38.3 ttm -50.63 -47.13 58.52 Favored 'General case' 0 N--CA 1.464 0.266 0 CA-C-N 116.005 -0.543 . . . . 0.0 111.111 171.767 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 104' ' ' LYS . . . . . . . . . . . . . 36.2 tttm . . . . . 0 C--N 1.325 -0.493 0 CA-C-N 115.546 -0.752 . . . . 0.0 111.217 179.427 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 83.8 m-20 . . . . . 0 C--O 1.233 0.22 0 CA-C-O 120.94 0.4 . . . . 0.0 110.728 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 61.8 m -62.92 141.43 58.71 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 115.976 -0.556 . . . . 0.0 109.797 175.668 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 7' ' ' PHE . . . . . 0.648 ' HE1' ' HZ ' ' A' ' 34' ' ' PHE . 5.3 t80 -58.54 -43.84 89.43 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 116.375 -0.375 . . . . 0.0 110.716 -175.972 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 50.1 m -57.59 -39.31 76.53 Favored 'General case' 0 CA--C 1.531 0.245 0 CA-C-N 116.488 -0.324 . . . . 0.0 111.674 178.973 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -66.11 -51.49 57.45 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.998 0.428 . . . . 0.0 110.942 -177.241 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 57.6 mt -66.07 -35.29 74.68 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.396 0 CA-C-N 115.963 -0.562 . . . . 0.0 110.516 -179.343 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 11' ' ' TYR . . . . . 0.534 ' OH ' ' HA ' ' A' ' 31' ' ' ALA . 90.8 t80 -61.08 -42.94 99.43 Favored 'General case' 0 C--O 1.223 -0.31 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.582 176.319 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 84.1 tttt -65.21 -34.29 78.01 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-O 120.646 0.26 . . . . 0.0 111.167 -176.904 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 47.4 tt0 -66.46 -51.17 59.66 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 121.175 0.512 . . . . 0.0 109.899 176.015 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 14' ' ' TRP . . . . . 0.411 ' HZ3' ' CE1' ' A' ' 11' ' ' TYR . 62.6 t90 -61.34 -45.46 94.32 Favored 'General case' 0 C--O 1.237 0.427 0 CA-C-N 115.286 -0.87 . . . . 0.0 110.999 179.111 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 15' ' ' TYR . . . . . 0.495 ' CE1' ' HB2' ' A' ' 31' ' ' ALA . 22.0 t80 -58.09 -56.2 25.07 Favored 'General case' 0 C--O 1.224 -0.287 0 CA-C-N 116.046 -0.525 . . . . 0.0 111.345 179.859 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 21.5 tt0 -63.97 -23.96 67.54 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.899 0.38 . . . . 0.0 110.668 -173.924 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 17' ' ' HIS . . . . . . . . . . . . . 75.4 t60 -69.78 -58.73 3.55 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-O 121.03 0.443 . . . . 0.0 110.419 175.289 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 81.5 mttt -77.89 -3.78 43.41 Favored 'General case' 0 C--N 1.329 -0.286 0 N-CA-C 111.776 0.287 . . . . 0.0 111.776 -177.035 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 83.7 tttt -64.27 -21.9 66.76 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-O 121.165 0.507 . . . . 0.0 109.892 174.997 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 92.6 mt-30 -85.86 -15.3 42.28 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 115.833 -0.621 . . . . 0.0 110.474 178.206 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 52.1 t -88.13 -53.48 9.67 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.385 0 CA-C-O 121.209 0.528 . . . . 0.0 110.358 -178.523 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 22' ' ' TRP . . . . . . . . . . . . . 8.0 m0 -78.41 171.65 14.78 Favored 'General case' 0 C--N 1.321 -0.662 0 CA-C-N 115.764 -0.653 . . . . 0.0 110.111 -179.865 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 36.4 p -73.94 149.02 41.64 Favored 'General case' 0 C--N 1.32 -0.693 0 N-CA-C 109.592 -0.521 . . . . 0.0 109.592 175.945 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 11.4 p -59.28 -36.15 61.95 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.392 0 CA-C-O 120.682 0.277 . . . . 0.0 111.236 -177.238 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -67.28 -42.85 90.05 Favored Glycine 0 N--CA 1.449 -0.459 0 C-N-CA 120.928 -0.653 . . . . 0.0 111.761 179.08 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 26' ' ' TYR . . . . . . . . . . . . . 70.1 t80 -70.61 -41.14 72.68 Favored 'General case' 0 C--N 1.325 -0.493 0 N-CA-C 110.257 -0.275 . . . . 0.0 110.257 179.023 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -62.47 -42.96 99.85 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.308 -0.406 . . . . 0.0 111.026 -179.368 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 61.5 m -62.21 -44.41 96.64 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.3 -0.409 . . . . 0.0 110.655 178.442 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 29' ' ' GLU . . . . . 0.593 ' O ' ' HG3' ' A' ' 33' ' ' MET . 10.8 tp10 -67.43 -46.19 73.87 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.41 -0.359 . . . . 0.0 110.572 -179.821 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 10.3 tt -57.1 -47.51 80.89 Favored 'General case' 0 C--O 1.235 0.294 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.58 -179.95 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 31' ' ' ALA . . . . . 0.534 ' HA ' ' OH ' ' A' ' 11' ' ' TYR . . . -65.55 -37.39 86.58 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 116.356 -0.384 . . . . 0.0 110.656 179.307 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 32' ' ' LYS . . . . . 0.521 ' O ' ' HB2' ' A' ' 36' ' ' ASP . 54.0 tttm -63.37 -44.32 95.1 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.547 -0.297 . . . . 0.0 110.688 178.076 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 33' ' ' MET . . . . . 0.593 ' HG3' ' O ' ' A' ' 29' ' ' GLU . 38.2 mtm -57.06 -40.97 77.89 Favored 'General case' 0 N--CA 1.464 0.245 0 CA-C-O 121.433 0.635 . . . . 0.0 110.314 178.194 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 34' ' ' PHE . . . . . 0.692 ' O ' ' HB ' ' A' ' 38' ' ' ILE . 8.3 t80 -71.23 -45.65 62.82 Favored 'General case' 0 N--CA 1.449 -0.48 0 CA-C-N 115.355 -0.838 . . . . 0.0 110.016 -177.179 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 35' ' ' ASP . . . . . 0.865 ' HA ' ' HG ' ' A' ' 39' ' ' LEU . 10.5 t70 -58.74 -58.52 8.21 Favored 'General case' 0 C--N 1.322 -0.6 0 CA-C-N 115.773 -0.649 . . . . 0.0 110.023 176.188 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 36' ' ' ASP . . . . . 0.521 ' HB2' ' O ' ' A' ' 32' ' ' LYS . 1.0 OUTLIER -52.67 -46.19 67.09 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 114.441 -1.254 . . . . 0.0 113.33 -170.979 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 37' ' ' ASP . . . . . 0.426 ' O ' HG12 ' A' ' 41' ' ' ILE . 37.8 m-20 -110.96 -42.84 3.88 Favored 'General case' 0 C--N 1.326 -0.444 0 N-CA-C 112.506 0.558 . . . . 0.0 112.506 -172.479 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 38' ' ' ILE . . . . . 0.692 ' HB ' ' O ' ' A' ' 34' ' ' PHE . 1.5 mp -69.65 -39.82 78.64 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 CA-C-O 120.418 0.152 . . . . 0.0 111.31 -174.75 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 39' ' ' LEU . . . . . 0.865 ' HG ' ' HA ' ' A' ' 35' ' ' ASP . 13.7 mt -63.7 -47.28 82.31 Favored Pre-proline 0 CA--C 1.534 0.34 0 N-CA-C 112.796 0.665 . . . . 0.0 112.796 -172.926 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 40' ' ' PRO . . . . . 0.45 ' HD3' ' HB2' ' A' ' 39' ' ' LEU . 55.6 Cg_exo -54.99 -26.62 50.35 Favored 'Trans proline' 0 C--N 1.351 0.696 0 C-N-CA 121.862 1.708 . . . . 0.0 112.542 175.019 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 41' ' ' ILE . . . . . 0.545 HG22 HG23 ' A' ' 42' ' ' ILE . 31.6 mm -88.82 -64.03 1.21 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.352 0 CA-C-N 116.663 -0.244 . . . . 0.0 111.299 -176.391 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 42' ' ' ILE . . . . . 0.545 HG23 HG22 ' A' ' 41' ' ' ILE . 11.3 pt -128.82 8.4 2.75 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.256 0 N-CA-C 112.532 0.568 . . . . 0.0 112.532 -174.725 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 43' ' ' GLY . . . . . 0.547 ' HA3' ' HA ' ' A' ' 39' ' ' LEU . . . -61.7 -38.63 96.21 Favored Glycine 0 C--O 1.237 0.32 0 C-N-CA 120.483 -0.865 . . . . 0.0 112.848 -176.204 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -89.53 9.11 78.27 Favored Glycine 0 N--CA 1.445 -0.736 0 C-N-CA 120.816 -0.707 . . . . 0.0 112.301 -178.937 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 45' ' ' LEU . . . . . 0.422 HD12 ' HA ' ' A' ' 42' ' ' ILE . 96.6 mt -94.63 157.04 16.14 Favored 'General case' 0 C--N 1.327 -0.391 0 N-CA-C 109.923 -0.399 . . . . 0.0 109.923 178.432 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 44.1 mt-10 -81.15 140.8 34.78 Favored 'General case' 0 C--N 1.323 -0.572 0 N-CA-C 109.331 -0.618 . . . . 0.0 109.331 175.964 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 47' ' ' ILE . . . . . 0.523 HD13 ' HB2' ' A' ' 85' ' ' ALA . 15.5 tt -65.94 -12.96 14.97 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.699 0 CA-C-O 121.367 0.603 . . . . 0.0 111.113 -176.921 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 86.7 mt-30 -89.49 -14.61 34.89 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 115.943 -0.572 . . . . 0.0 110.907 179.903 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 20.1 t70 -139.79 83.18 1.91 Allowed 'General case' 0 C--N 1.323 -0.545 0 CA-C-O 121.148 0.499 . . . . 0.0 110.62 -174.706 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 50' ' ' ILE . . . . . . . . . . . . . 77.3 mt -134.12 131.04 55.36 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 CA-C-N 115.493 -0.776 . . . . 0.0 109.867 177.307 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 39.1 mt-10 -76.88 138.94 65.68 Favored Pre-proline 0 C--N 1.324 -0.533 0 CA-C-N 116.461 -0.336 . . . . 0.0 110.498 179.759 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 52' ' ' PRO . . . . . 0.52 ' HB3' ' HB3' ' A' ' 98' ' ' ASP . 9.4 Cg_endo -54.21 -37.51 87.86 Favored 'Trans proline' 0 C--N 1.344 0.338 0 C-N-CA 122.78 2.32 . . . . 0.0 112.313 177.727 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 53' ' ' MET . . . . . . . . . . . . . 92.0 mmm -67.88 -30.1 69.37 Favored 'General case' 0 C--N 1.332 -0.187 0 CA-C-N 116.561 -0.291 . . . . 0.0 111.247 179.443 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 78.5 mt-30 -74.33 -36.77 63.69 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-O 120.978 0.418 . . . . 0.0 110.531 177.407 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 55' ' ' LEU . . . . . 0.662 HD23 ' HB2' ' A' ' 99' ' ' LEU . 19.9 tp -67.02 -36.38 81.99 Favored 'General case' 0 C--N 1.322 -0.625 0 N-CA-C 109.145 -0.687 . . . . 0.0 109.145 175.417 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 56' ' ' LEU . . . . . 0.499 ' O ' HD22 ' A' ' 56' ' ' LEU . 1.9 tm? -69.57 -34.47 74.22 Favored 'General case' 0 C--O 1.219 -0.533 0 CA-C-N 115.611 -0.722 . . . . 0.0 109.86 175.451 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 34.0 tt0 -61.26 -32.87 72.69 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.94 0.4 . . . . 0.0 110.262 177.668 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 58' ' ' VAL . . . . . 0.474 ' O ' ' HB3' ' A' ' 61' ' ' ARG . 75.8 t -64.54 -54.57 28.81 Favored 'Isoleucine or valine' 0 C--O 1.237 0.422 0 CA-C-O 121.336 0.589 . . . . 0.0 110.601 174.611 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 59' ' ' ILE . . . . . . . . . . . . . 1.7 mp -58.76 -41.59 82.96 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 CA-C-N 115.675 -0.693 . . . . 0.0 110.025 177.271 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 17.6 tpt180 -66.3 -30.26 70.64 Favored 'General case' 0 C--N 1.324 -0.524 0 CA-C-N 115.292 -0.867 . . . . 0.0 110.438 -179.516 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 61' ' ' ARG . . . . . 0.474 ' HB3' ' O ' ' A' ' 58' ' ' VAL . 8.7 tpt180 -59.37 -43.06 92.94 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 115.993 -0.549 . . . . 0.0 109.627 175.355 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 62' ' ' PHE . . . . . . . . . . . . . 77.0 m-85 -73.11 -27.8 61.9 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.043 -0.526 . . . . 0.0 111.467 177.102 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 30.7 mt-10 -70.89 -34.8 71.93 Favored 'General case' 0 C--N 1.327 -0.408 0 C-N-CA 121.088 -0.245 . . . . 0.0 110.712 175.698 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 13.6 t70 -62.33 -40.74 97.35 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 121.17 0.51 . . . . 0.0 109.705 173.213 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 30.2 ttm180 -65.1 -28.7 69.63 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 115.361 -0.836 . . . . 0.0 110.417 174.109 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 89.33 27.81 21.75 Favored Glycine 0 N--CA 1.447 -0.593 0 C-N-CA 120.999 -0.62 . . . . 0.0 112.198 178.114 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -111.42 94.35 4.93 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-O 120.745 0.307 . . . . 0.0 110.495 -179.127 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 68' ' ' MET . . . . . 0.532 ' HA ' ' CE ' ' A' ' 68' ' ' MET . 13.7 mmt -64.34 -51.28 64.16 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.11 -0.495 . . . . 0.0 111.413 -177.503 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 69' ' ' GLU . . . . . 0.456 ' O ' ' HG3' ' A' ' 73' ' ' LYS . 51.7 mt-10 -55.14 -48.28 73.91 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 115.675 -0.693 . . . . 0.0 110.68 179.796 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 25.5 ttm180 -73.57 -21.7 60.28 Favored 'General case' 0 C--N 1.322 -0.601 0 CA-C-N 115.546 -0.752 . . . . 0.0 111.359 -173.781 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -68.79 -45.77 70.43 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-O 120.929 0.395 . . . . 0.0 110.366 176.446 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 72' ' ' ASN . . . . . . . . . . . . . 86.2 m-20 -69.34 -31.58 70.12 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.74 178.006 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 73' ' ' LYS . . . . . 0.456 ' HG3' ' O ' ' A' ' 69' ' ' GLU . 99.3 mttt -68.29 -34.19 75.71 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.569 178.125 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -59.22 -52.65 64.75 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.871 0.367 . . . . 0.0 110.049 170.461 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 57.5 ttt180 -54.41 -50.69 67.0 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 115.235 -0.893 . . . . 0.0 111.713 -179.797 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 30.6 ttp180 -63.38 -36.11 82.62 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.359 -0.382 . . . . 0.0 111.118 -175.969 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 77' ' ' ARG . . . . . 0.509 ' O ' HG23 ' A' ' 81' ' ' VAL . 78.3 mtm180 -69.11 -51.11 41.84 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.45 -0.341 . . . . 0.0 110.576 178.527 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 78' ' ' CYS . . . . . . . . . . . . . 77.8 m -56.83 -45.19 82.51 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.827 0.346 . . . . 0.0 110.436 178.324 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . -60.46 -34.62 86.2 Favored Glycine 0 N--CA 1.45 -0.372 0 CA-C-N 115.997 -0.547 . . . . 0.0 112.63 178.304 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 30.0 tt0 -75.4 -32.87 60.9 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.747 0.274 . . . . 0.0 110.346 179.759 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 81' ' ' VAL . . . . . 0.509 HG23 ' O ' ' A' ' 77' ' ' ARG . 63.9 t -64.87 -41.88 93.35 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 N-CA-C 109.673 -0.492 . . . . 0.0 109.673 174.372 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 82' ' ' PHE . . . . . 0.581 ' HB3' ' HB3' ' A' ' 94' ' ' ASN . 43.9 m-85 -59.47 -45.43 91.65 Favored 'General case' 0 C--N 1.332 -0.162 0 CA-C-O 121.104 0.478 . . . . 0.0 110.261 173.177 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 83' ' ' ARG . . . . . 0.476 ' O ' HG23 ' A' ' 87' ' ' VAL . 79.6 ttt180 -59.14 -44.72 92.09 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 115.772 -0.649 . . . . 0.0 110.5 177.207 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 84' ' ' TYR . . . . . . . . . . . . . 48.7 t80 -58.41 -39.29 79.34 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 115.771 -0.649 . . . . 0.0 110.253 178.099 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 85' ' ' ALA . . . . . 0.523 ' HB2' HD13 ' A' ' 47' ' ' ILE . . . -68.19 -36.37 79.47 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 115.94 -0.573 . . . . 0.0 111.07 178.759 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 86' ' ' ILE . . . . . 0.432 HG13 ' O ' ' A' ' 82' ' ' PHE . 77.0 mt -62.72 -42.72 97.24 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 CA-C-O 120.944 0.402 . . . . 0.0 110.059 175.885 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 87' ' ' VAL . . . . . 0.476 HG23 ' O ' ' A' ' 83' ' ' ARG . 46.7 t -66.72 -37.35 79.32 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.392 0 CA-C-N 116.105 -0.498 . . . . 0.0 111.013 178.599 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 88' ' ' THR . . . . . 0.455 ' OG1' ' HA ' ' A' ' 85' ' ' ALA . 19.4 p -84.59 -0.22 52.48 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.538 -178.281 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . 72.53 17.72 78.05 Favored Glycine 0 C--N 1.331 0.297 0 C-N-CA 120.912 -0.661 . . . . 0.0 112.537 178.5 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 86.0 mtt180 -93.13 -9.87 37.94 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-O 120.877 0.37 . . . . 0.0 110.662 -179.343 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . -145.48 159.72 42.67 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.303 177.833 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 97.2 mttt -115.89 -40.03 3.39 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-O 121.004 0.43 . . . . 0.0 110.385 179.563 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 93' ' ' TYR . . . . . . . . . . . . . 77.0 t80 -133.79 139.49 46.34 Favored 'General case' 0 C--N 1.321 -0.648 0 CA-C-N 116.046 -0.525 . . . . 0.0 110.278 179.85 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 94' ' ' ASN . . . . . 0.581 ' HB3' ' HB3' ' A' ' 82' ' ' PHE . 20.2 p-10 -110.09 128.48 25.3 Favored Pre-proline 0 C--N 1.321 -0.661 0 CA-C-N 115.895 -0.593 . . . . 0.0 110.372 177.836 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 95' ' ' PRO . . . . . . . . . . . . . 60.3 Cg_endo -75.0 39.62 0.6 Allowed 'Trans proline' 0 CA--C 1.531 0.34 0 C-N-CA 122.993 2.462 . . . . 0.0 112.793 -179.767 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 96' ' ' ALA . . . . . 0.559 ' HB3' ' HD3' ' A' ' 97' ' ' PRO . . . -67.57 -47.03 47.18 Favored Pre-proline 0 C--N 1.326 -0.448 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.539 179.046 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 97' ' ' PRO . . . . . 0.559 ' HD3' ' HB3' ' A' ' 96' ' ' ALA . 25.0 Cg_exo -64.47 -34.71 52.5 Favored 'Trans proline' 0 C--N 1.358 1.029 0 C-N-CA 121.83 1.687 . . . . 0.0 111.479 173.471 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 98' ' ' ASP . . . . . 0.52 ' HB3' ' HB3' ' A' ' 52' ' ' PRO . 3.2 m-20 -60.93 -40.86 94.85 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 115.468 -0.787 . . . . 0.0 110.195 177.995 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 99' ' ' LEU . . . . . 0.662 ' HB2' HD23 ' A' ' 55' ' ' LEU . 3.2 tm? -57.54 -45.59 84.87 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 115.683 -0.689 . . . . 0.0 109.91 176.035 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 100' ' ' ALA . . . . . 0.581 ' O ' ' HG3' ' A' ' 104' ' ' LYS . . . -63.5 -47.46 81.64 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-N 115.832 -0.622 . . . . 0.0 110.73 -179.013 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 31.4 t70 -66.26 -38.49 87.96 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.359 -0.382 . . . . 0.0 111.152 -178.49 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -62.99 -42.53 99.87 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.443 -0.344 . . . . 0.0 110.628 177.719 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 103' ' ' MET . . . . . . . . . . . . . 45.9 ttm -56.72 -43.74 80.91 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 115.843 -0.617 . . . . 0.0 110.268 175.734 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 104' ' ' LYS . . . . . 0.581 ' HG3' ' O ' ' A' ' 100' ' ' ALA . 86.8 mttt . . . . . 0 C--N 1.329 -0.316 0 CA-C-N 115.767 -0.651 . . . . 0.0 110.625 178.643 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 5' ' ' ASN . . . . . 0.445 ' OD1' ' HD2' ' A' ' 90' ' ' ARG . 93.3 m-20 . . . . . 0 C--O 1.235 0.292 0 N-CA-C 111.834 0.309 . . . . 0.0 111.834 . . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 41.1 m -69.02 151.53 46.37 Favored 'General case' 0 C--O 1.237 0.416 0 N-CA-C 110.082 -0.34 . . . . 0.0 110.082 175.306 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 7' ' ' PHE . . . . . . . . . . . . . 64.1 t80 -56.31 -44.91 80.37 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 115.903 -0.589 . . . . 0.0 111.208 -177.085 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 25.2 p -60.49 -40.0 89.73 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 120.684 0.278 . . . . 0.0 111.737 -177.437 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -61.95 -49.48 75.96 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-O 121.221 0.534 . . . . 0.0 110.887 -179.188 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 10' ' ' ILE . . . . . 0.654 HG23 HH21 ' A' ' 90' ' ' ARG . 68.2 mt -69.77 -37.19 73.0 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 CA-C-N 115.665 -0.698 . . . . 0.0 110.248 179.428 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 1.0 OUTLIER -55.28 -44.99 76.17 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 115.655 -0.702 . . . . 0.0 111.069 176.13 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 60.6 tttm -66.77 -40.39 88.21 Favored 'General case' 0 C--N 1.33 -0.261 0 C-N-CA 120.593 -0.443 . . . . 0.0 111.177 179.803 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 40.5 tt0 -62.63 -48.26 80.13 Favored 'General case' 0 C--O 1.234 0.253 0 CA-C-O 121.113 0.482 . . . . 0.0 110.069 178.849 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 14' ' ' TRP . . . . . 0.457 ' CZ2' ' HG3' ' A' ' 77' ' ' ARG . 54.3 t90 -61.69 -49.0 78.27 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 115.602 -0.726 . . . . 0.0 110.452 176.934 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 15' ' ' TYR . . . . . 0.518 ' CE1' ' HB2' ' A' ' 31' ' ' ALA . 22.3 t80 -57.85 -52.81 63.94 Favored 'General case' 0 C--O 1.223 -0.291 0 CA-C-N 116.39 -0.368 . . . . 0.0 111.592 -178.801 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 41.1 tt0 -61.26 -32.52 72.34 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-O 120.917 0.389 . . . . 0.0 110.931 -175.541 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 17' ' ' HIS . . . . . . . . . . . . . 1.5 t-80 -77.74 -42.48 34.05 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.242 178.473 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 35.5 tptt -75.79 -19.34 59.06 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-O 121.219 0.533 . . . . 0.0 110.528 -177.022 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 41.4 tttm -63.41 -18.88 64.18 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 115.658 -0.701 . . . . 0.0 110.74 176.697 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 80.5 mt-30 -74.38 -16.13 60.9 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.064 -0.517 . . . . 0.0 110.319 176.978 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 40.6 t -95.99 -43.51 12.7 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.437 0 CA-C-N 116.045 -0.525 . . . . 0.0 111.076 -175.67 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 22' ' ' TRP . . . . . . . . . . . . . 12.3 m0 -89.23 170.33 10.69 Favored 'General case' 0 C--N 1.321 -0.634 0 CA-C-N 116.065 -0.516 . . . . 0.0 111.11 -176.889 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 6.4 m -73.24 142.18 47.27 Favored 'General case' 0 C--N 1.324 -0.541 0 N-CA-C 108.994 -0.743 . . . . 0.0 108.994 174.626 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 12.6 p -53.41 -38.08 31.47 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.368 0 N-CA-C 111.974 0.361 . . . . 0.0 111.974 -175.209 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -66.53 -48.95 59.42 Favored Glycine 0 N--CA 1.449 -0.482 0 C-N-CA 120.664 -0.779 . . . . 0.0 112.098 178.723 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 26' ' ' TYR . . . . . . . . . . . . . 66.7 t80 -63.93 -39.25 93.73 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.861 0.362 . . . . 0.0 110.155 179.658 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -62.74 -41.38 99.16 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 115.854 -0.612 . . . . 0.0 110.635 178.464 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 59.6 m -62.88 -47.0 85.23 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.42 -0.355 . . . . 0.0 110.606 178.028 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 27.9 mt-10 -65.81 -42.14 91.01 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.406 -0.361 . . . . 0.0 111.327 -178.947 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 10.3 tt -63.28 -41.52 99.01 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.455 -0.339 . . . . 0.0 110.359 179.667 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 31' ' ' ALA . . . . . 0.518 ' HB2' ' CE1' ' A' ' 15' ' ' TYR . . . -65.56 -48.67 71.6 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.447 -0.342 . . . . 0.0 110.546 177.985 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 86.3 tttt -56.36 -35.62 67.89 Favored 'General case' 0 C--N 1.332 -0.192 0 CA-C-N 116.319 -0.401 . . . . 0.0 110.511 178.681 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 33' ' ' MET . . . . . . . . . . . . . 54.9 ttp -63.34 -52.93 59.77 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 115.937 -0.574 . . . . 0.0 110.797 177.314 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 34' ' ' PHE . . . . . 0.619 ' CD2' HD12 ' A' ' 38' ' ' ILE . 8.3 m-85 -62.72 -38.07 89.01 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-O 121.041 0.448 . . . . 0.0 110.838 178.955 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 35' ' ' ASP . . . . . 0.681 ' HA ' ' HG ' ' A' ' 39' ' ' LEU . 10.8 t70 -62.93 -59.45 4.82 Favored 'General case' 0 C--N 1.32 -0.675 0 CA-C-N 115.828 -0.624 . . . . 0.0 111.075 178.474 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 38.4 t70 -66.93 -33.08 74.8 Favored 'General case' 0 C--N 1.327 -0.373 0 N-CA-C 112.81 0.67 . . . . 0.0 112.81 -168.832 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 7.2 m-20 -100.46 -51.15 3.7 Favored 'General case' 0 C--N 1.325 -0.491 0 N-CA-C 112.164 0.431 . . . . 0.0 112.164 -177.331 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 38' ' ' ILE . . . . . 0.619 HD12 ' CD2' ' A' ' 34' ' ' PHE . 11.5 mt -80.71 -34.5 14.2 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.581 0 N-CA-C 112.507 0.558 . . . . 0.0 112.507 -169.598 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 39' ' ' LEU . . . . . 0.681 ' HG ' ' HA ' ' A' ' 35' ' ' ASP . 21.5 mt -67.87 -41.58 29.2 Favored Pre-proline 0 CA--C 1.54 0.588 0 N-CA-C 112.837 0.68 . . . . 0.0 112.837 -176.367 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 40' ' ' PRO . . . . . 0.486 ' HD3' ' O ' ' A' ' 35' ' ' ASP . 31.3 Cg_exo -62.42 -13.95 36.07 Favored 'Trans proline' 0 C--N 1.354 0.831 0 C-N-CA 121.834 1.689 . . . . 0.0 112.716 174.217 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 41' ' ' ILE . . . . . 0.603 HG22 HG23 ' A' ' 42' ' ' ILE . 46.1 mm -96.85 -56.77 4.92 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.582 -0.281 . . . . 0.0 111.056 -179.606 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 42' ' ' ILE . . . . . 0.603 HG23 HG22 ' A' ' 41' ' ' ILE . 17.0 pt -131.88 12.99 1.75 Allowed 'Isoleucine or valine' 0 N--CA 1.467 0.402 0 N-CA-C 112.608 0.596 . . . . 0.0 112.608 -175.042 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -54.88 -49.96 60.21 Favored Glycine 0 CA--C 1.517 0.177 0 C-N-CA 120.922 -0.656 . . . . 0.0 113.51 -173.888 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -91.78 19.37 48.82 Favored Glycine 0 N--CA 1.447 -0.592 0 C-N-CA 120.702 -0.761 . . . . 0.0 113.024 -177.417 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 45' ' ' LEU . . . . . 0.495 HD12 ' HA ' ' A' ' 42' ' ' ILE . 96.9 mt -100.85 141.87 33.12 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 117.358 0.579 . . . . 0.0 110.625 179.151 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 46' ' ' GLU . . . . . 0.595 ' O ' HG13 ' A' ' 50' ' ' ILE . 45.9 mt-10 -57.05 129.03 39.96 Favored 'General case' 0 CA--C 1.514 -0.418 0 CA-C-N 116.182 -0.463 . . . . 0.0 109.784 174.259 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 47' ' ' ILE . . . . . 0.546 HD11 ' HA ' ' A' ' 82' ' ' PHE . 19.2 tt -55.35 -33.4 31.27 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.599 0 O-C-N 123.604 0.565 . . . . 0.0 112.338 -173.558 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 49.9 tt0 -89.12 -13.75 37.8 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 121.037 0.446 . . . . 0.0 110.916 -179.397 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 7.9 t70 -103.56 5.48 36.71 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-O 121.31 0.576 . . . . 0.0 110.63 -174.686 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 50' ' ' ILE . . . . . 0.595 HG13 ' O ' ' A' ' 46' ' ' GLU . 96.9 mt -73.41 135.3 27.91 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 CA-C-N 115.644 -0.707 . . . . 0.0 110.39 178.066 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 35.8 mt-10 -76.17 145.52 76.9 Favored Pre-proline 0 C--N 1.325 -0.469 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.89 -179.931 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 52' ' ' PRO . . . . . . . . . . . . . 38.9 Cg_exo -57.6 -35.27 98.87 Favored 'Trans proline' 0 N--CA 1.464 -0.236 0 C-N-CA 122.3 2.0 . . . . 0.0 110.908 172.392 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 53' ' ' MET . . . . . . . . . . . . . 50.7 ttm -67.39 -32.62 73.65 Favored 'General case' 0 C--N 1.331 -0.198 0 CA-C-N 115.618 -0.719 . . . . 0.0 110.702 177.606 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 94.0 mt-30 -74.27 -39.73 62.79 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.32 -0.4 . . . . 0.0 110.822 179.752 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 55' ' ' LEU . . . . . 0.423 ' O ' ' HB ' ' A' ' 58' ' ' VAL . 16.4 tp -68.67 -33.5 74.08 Favored 'General case' 0 C--N 1.322 -0.593 0 N-CA-C 109.516 -0.55 . . . . 0.0 109.516 177.615 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 2.3 tm? -68.84 -36.33 78.04 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 115.875 -0.602 . . . . 0.0 109.514 174.007 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 7.7 tp10 -60.9 -38.42 85.64 Favored 'General case' 0 C--N 1.329 -0.303 0 N-CA-C 109.738 -0.467 . . . . 0.0 109.738 175.1 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 58' ' ' VAL . . . . . 0.55 HG13 HG12 ' A' ' 38' ' ' ILE . 54.0 t -60.56 -54.4 35.7 Favored 'Isoleucine or valine' 0 C--O 1.239 0.5 0 CA-C-O 121.464 0.649 . . . . 0.0 110.607 174.313 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 59' ' ' ILE . . . . . . . . . . . . . 1.6 mp -57.58 -39.88 71.98 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.41 0 CA-C-N 115.572 -0.74 . . . . 0.0 110.614 178.894 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 60' ' ' ARG . . . . . 0.602 ' HA ' ' HB3' ' A' ' 63' ' ' GLU . 18.9 mtp85 -76.57 -21.06 56.15 Favored 'General case' 0 C--N 1.328 -0.342 0 N-CA-C 111.89 0.33 . . . . 0.0 111.89 -179.508 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 6.8 tpt85 -61.25 -35.88 78.47 Favored 'General case' 0 C--N 1.327 -0.387 0 N-CA-C 108.914 -0.773 . . . . 0.0 108.914 172.93 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 62' ' ' PHE . . . . . . . . . . . . . 96.3 m-85 -82.04 -39.0 24.15 Favored 'General case' 0 C--O 1.236 0.351 0 CA-C-N 115.518 -0.764 . . . . 0.0 111.407 173.09 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 63' ' ' GLU . . . . . 0.602 ' HB3' ' HA ' ' A' ' 60' ' ' ARG . 29.6 tt0 -56.03 -43.97 78.29 Favored 'General case' 0 N--CA 1.467 0.399 0 CA-C-N 116.111 -0.495 . . . . 0.0 111.98 -177.366 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 20.3 t70 -59.3 -29.11 67.38 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.001 -0.545 . . . . 0.0 111.635 -174.213 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 75.3 mtm-85 -91.52 1.82 56.87 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.751 0.31 . . . . 0.0 111.334 -179.607 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 81.97 9.75 84.9 Favored Glycine 0 N--CA 1.452 -0.289 0 C-N-CA 120.767 -0.73 . . . . 0.0 112.413 179.008 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -82.4 71.63 9.47 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-O 120.951 0.405 . . . . 0.0 110.49 -179.383 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 68' ' ' MET . . . . . 0.548 ' HA ' ' CE ' ' A' ' 68' ' ' MET . 8.8 mmt -60.33 -41.32 93.29 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 115.804 -0.634 . . . . 0.0 111.005 -178.93 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 10.2 tt0 -57.87 -49.97 74.91 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.065 -0.516 . . . . 0.0 110.503 -179.826 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 70' ' ' ARG . . . . . 0.505 ' N ' ' HD2' ' A' ' 70' ' ' ARG . 1.5 mpt_? -72.83 -26.53 61.52 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-N 115.865 -0.607 . . . . 0.0 111.095 -175.117 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -67.46 -41.55 84.48 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-O 121.097 0.475 . . . . 0.0 110.24 175.132 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 72' ' ' ASN . . . . . . . . . . . . . 44.1 m-80 -75.03 -37.57 61.69 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.048 -0.524 . . . . 0.0 110.696 178.193 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 87.3 mttt -61.05 -44.57 97.2 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.506 -0.316 . . . . 0.0 110.519 175.463 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -59.8 -45.07 93.47 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.305 -0.407 . . . . 0.0 110.175 176.34 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 76.4 ttt180 -56.81 -50.46 72.3 Favored 'General case' 0 CA--C 1.533 0.297 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.253 177.584 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 76' ' ' ARG . . . . . 0.424 HH11 ' HD3' ' A' ' 76' ' ' ARG . 50.1 mtt180 -61.63 -47.17 86.63 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 121.053 0.454 . . . . 0.0 111.317 179.311 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 77' ' ' ARG . . . . . 0.457 ' HG3' ' CZ2' ' A' ' 14' ' ' TRP . 0.0 OUTLIER -74.77 -37.31 62.47 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-N 115.788 -0.642 . . . . 0.0 112.144 -172.171 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 78' ' ' CYS . . . . . . . . . . . . . 28.2 p -65.02 -46.27 82.03 Favored 'General case' 0 C--N 1.33 -0.26 0 C-N-CA 120.279 -0.568 . . . . 0.0 109.839 179.677 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . -56.65 -35.64 68.07 Favored Glycine 0 C--N 1.334 0.453 0 C-N-CA 120.769 -0.729 . . . . 0.0 111.741 175.622 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 35.6 tt0 -66.55 -45.46 79.3 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 115.734 -0.233 . . . . 0.0 110.649 177.285 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 81' ' ' VAL . . . . . 0.444 HG23 ' O ' ' A' ' 77' ' ' ARG . 87.2 t -63.14 -44.04 99.2 Favored 'Isoleucine or valine' 0 C--O 1.235 0.302 0 CA-C-O 120.844 0.354 . . . . 0.0 110.522 177.811 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 82' ' ' PHE . . . . . 0.546 ' HA ' HD11 ' A' ' 47' ' ' ILE . 5.7 m-85 -57.79 -48.03 80.86 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.495 176.621 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 83' ' ' ARG . . . . . 0.485 ' O ' HG23 ' A' ' 87' ' ' VAL . 42.2 ttm180 -65.83 -35.77 81.61 Favored 'General case' 0 C--N 1.323 -0.554 0 CA-C-N 115.891 -0.595 . . . . 0.0 110.757 179.17 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 84' ' ' TYR . . . . . . . . . . . . . 36.7 t80 -59.08 -40.7 86.08 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 115.923 -0.58 . . . . 0.0 110.069 178.151 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 85' ' ' ALA . . . . . 0.426 ' HA ' HG22 ' A' ' 88' ' ' THR . . . -71.01 -26.68 63.22 Favored 'General case' 0 N--CA 1.453 -0.31 0 CA-C-N 115.575 -0.739 . . . . 0.0 110.864 178.259 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 86' ' ' ILE . . . . . 0.654 ' HA ' ' O ' ' A' ' 91' ' ' ALA . 73.4 mt -71.55 -41.65 72.23 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.38 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.365 176.243 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 87' ' ' VAL . . . . . 0.485 HG23 ' O ' ' A' ' 83' ' ' ARG . 66.1 t -61.51 -39.92 84.66 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 115.921 -0.581 . . . . 0.0 110.973 179.24 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 88' ' ' THR . . . . . 0.513 HG23 ' HG2' ' A' ' 90' ' ' ARG . 10.1 t -84.08 -5.94 59.32 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-O 120.88 0.371 . . . . 0.0 111.101 179.391 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . 86.08 14.83 66.06 Favored Glycine 0 CA--C 1.521 0.445 0 N-CA-C 114.955 0.742 . . . . 0.0 114.955 170.344 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 90' ' ' ARG . . . . . 0.654 HH21 HG23 ' A' ' 10' ' ' ILE . 16.2 ptt-85 -105.24 7.3 33.5 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 118.165 0.983 . . . . 0.0 110.741 178.177 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 91' ' ' ALA . . . . . 0.654 ' O ' ' HA ' ' A' ' 86' ' ' ILE . . . -146.06 146.8 31.07 Favored 'General case' 0 C--N 1.322 -0.627 0 N-CA-C 108.255 -1.017 . . . . 0.0 108.255 170.319 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 81.9 tttt -127.66 -6.84 5.69 Favored 'General case' 0 C--N 1.321 -0.639 0 C-N-CA 120.39 -0.524 . . . . 0.0 111.527 -179.288 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 93' ' ' TYR . . . . . . . . . . . . . 78.0 t80 -144.1 127.22 16.56 Favored 'General case' 0 C--N 1.322 -0.595 0 CA-C-O 120.857 0.36 . . . . 0.0 110.755 -179.62 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 94' ' ' ASN . . . . . 0.452 ' HB3' ' HB3' ' A' ' 82' ' ' PHE . 14.6 p-10 -114.12 117.96 42.87 Favored Pre-proline 0 C--N 1.32 -0.716 0 CA-C-N 115.745 -0.661 . . . . 0.0 109.504 174.23 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 95' ' ' PRO . . . . . 0.468 ' HD2' ' CD2' ' A' ' 82' ' ' PHE . 56.5 Cg_endo -70.8 43.8 0.47 Allowed 'Trans proline' 0 CA--C 1.529 0.253 0 C-N-CA 123.133 2.556 . . . . 0.0 112.404 179.717 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 96' ' ' ALA . . . . . 0.499 ' N ' ' HD2' ' A' ' 97' ' ' PRO . . . -67.64 -48.97 41.91 Favored Pre-proline 0 C--N 1.324 -0.514 0 CA-C-N 116.091 -0.504 . . . . 0.0 111.46 -179.653 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 97' ' ' PRO . . . . . 0.499 ' HD2' ' N ' ' A' ' 96' ' ' ALA . 25.8 Cg_endo -63.65 -33.77 65.59 Favored 'Trans proline' 0 C--N 1.358 1.029 0 C-N-CA 121.584 1.523 . . . . 0.0 111.283 174.115 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 5.1 m-20 -62.88 -45.14 93.96 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 115.652 -0.704 . . . . 0.0 110.294 177.767 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 99' ' ' LEU . . . . . . . . . . . . . 3.3 tm? -56.86 -39.8 74.98 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 115.666 -0.697 . . . . 0.0 110.228 177.649 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 100' ' ' ALA . . . . . . . . . . . . . . . -64.29 -44.76 90.66 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 115.869 -0.605 . . . . 0.0 111.144 -179.645 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 32.4 m-20 -73.19 -31.85 64.45 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.306 -0.406 . . . . 0.0 110.835 179.674 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -65.01 -50.34 66.65 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 116.387 -0.37 . . . . 0.0 110.683 177.13 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 103' ' ' MET . . . . . . . . . . . . . 45.6 ttm -57.94 -35.18 70.75 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-O 121.287 0.565 . . . . 0.0 110.709 177.807 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 104' ' ' LYS . . . . . . . . . . . . . 86.8 tttt . . . . . 0 C--N 1.324 -0.537 0 CA-C-N 115.717 -0.674 . . . . 0.0 111.2 179.838 . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 93.4 m-20 . . . . . 0 C--O 1.232 0.135 0 N-CA-C 111.8 0.296 . . . . 0.0 111.8 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' A' A ' 6' ' ' SER . . . . . 0.438 ' HA ' ' HA ' ' A' ' 46' ' ' GLU . 67.2 p -64.84 141.34 58.81 Favored 'General case' 0 C--N 1.327 -0.406 0 N-CA-C 109.794 -0.447 . . . . 0.0 109.794 176.413 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 7' ' ' PHE . . . . . 0.493 ' O ' ' HB3' ' A' ' 11' ' ' TYR . 35.0 t80 -60.13 -32.99 71.53 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.424 -177.946 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 8' ' ' SER . . . . . 0.512 ' O ' ' HD1' ' A' ' 11' ' ' TYR . 13.4 p -56.02 -46.74 78.69 Favored 'General case' 0 C--O 1.237 0.435 0 CA-C-O 121.493 0.663 . . . . 0.0 110.963 176.359 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -60.36 -53.05 62.19 Favored 'General case' 0 C--N 1.323 -0.548 0 CA-C-N 115.529 -0.76 . . . . 0.0 110.463 -179.564 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 10' ' ' ILE . . . . . 0.76 HG12 HH11 ' A' ' 90' ' ' ARG . 25.2 mt -70.61 -33.03 51.52 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.581 0 CA-C-N 115.544 -0.753 . . . . 0.0 111.605 -174.512 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 11' ' ' TYR . . . . . 0.512 ' HD1' ' O ' ' A' ' 8' ' ' SER . 0.0 OUTLIER -62.59 -38.58 90.71 Favored 'General case' 0 C--N 1.332 -0.179 0 C-N-CA 121.219 -0.193 . . . . 0.0 110.652 -179.369 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 47.5 tttm -77.48 -39.93 44.73 Favored 'General case' 0 C--N 1.33 -0.241 0 C-N-CA 120.246 -0.582 . . . . 0.0 110.907 179.484 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 44.6 mt-10 -61.96 -42.8 99.53 Favored 'General case' 0 C--O 1.234 0.284 0 CA-C-O 120.807 0.337 . . . . 0.0 110.375 177.539 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 14' ' ' TRP . . . . . . . . . . . . . 52.1 t90 -61.81 -50.69 71.31 Favored 'General case' 0 C--O 1.236 0.365 0 CA-C-N 115.92 -0.582 . . . . 0.0 110.657 176.163 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 15' ' ' TYR . . . . . 0.497 ' O ' ' HB2' ' A' ' 19' ' ' LYS . 26.4 t80 -56.25 -56.79 16.72 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.062 -0.517 . . . . 0.0 111.299 -179.593 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 41.8 mt-10 -68.1 -15.81 63.75 Favored 'General case' 0 C--N 1.328 -0.346 0 N-CA-C 111.782 0.29 . . . . 0.0 111.782 -174.959 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 17' ' ' HIS . . . . . . . . . . . . . 35.3 t60 -77.85 -60.29 2.43 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-O 120.927 0.394 . . . . 0.0 110.183 174.133 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 70.7 tttt -78.27 -0.33 28.3 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 121.498 0.666 . . . . 0.0 110.31 -175.374 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 19' ' ' LYS . . . . . 0.497 ' HB2' ' O ' ' A' ' 15' ' ' TYR . 81.3 tttt -61.03 -24.87 66.51 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 115.044 -0.98 . . . . 0.0 110.226 174.302 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 85.0 mm-40 -75.57 -10.47 59.47 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 115.675 -0.693 . . . . 0.0 111.09 179.503 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 61.5 t -97.9 -50.23 11.32 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.397 0 CA-C-N 116.372 -0.376 . . . . 0.0 111.174 -176.737 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 22' ' ' TRP . . . . . . . . . . . . . 11.1 m0 -84.33 155.32 22.42 Favored 'General case' 0 C--N 1.323 -0.558 0 CA-C-N 116.398 -0.365 . . . . 0.0 110.908 -177.377 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 26.3 m -63.31 139.38 58.76 Favored 'General case' 0 C--N 1.327 -0.391 0 N-CA-C 109.507 -0.553 . . . . 0.0 109.507 173.736 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 13.4 p -49.85 -37.99 13.34 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.398 0 N-CA-C 112.204 0.446 . . . . 0.0 112.204 -175.468 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -62.45 -56.74 19.93 Favored Glycine 0 N--CA 1.45 -0.412 0 C-N-CA 120.777 -0.725 . . . . 0.0 112.193 179.153 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 26' ' ' TYR . . . . . . . . . . . . . 77.6 t80 -65.23 -37.67 87.99 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.487 0.184 . . . . 0.0 110.724 -179.309 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -59.92 -47.42 85.83 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.344 -0.389 . . . . 0.0 110.841 179.801 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 23.6 m -67.96 -41.64 82.14 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.328 -0.397 . . . . 0.0 111.182 -178.952 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 44.7 mt-10 -67.73 -36.35 80.42 Favored 'General case' 0 C--O 1.235 0.291 0 CA-C-O 120.727 0.299 . . . . 0.0 110.907 178.764 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 9.3 tt -62.48 -44.08 97.26 Favored 'General case' 0 C--O 1.234 0.279 0 N-CA-C 109.648 -0.501 . . . . 0.0 109.648 174.949 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -64.88 -39.36 93.41 Favored 'General case' 0 N--CA 1.453 -0.324 0 CA-C-N 115.654 -0.703 . . . . 0.0 110.604 177.926 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 65.3 tttm -60.02 -50.07 75.17 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.505 -0.316 . . . . 0.0 110.937 179.367 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 33' ' ' MET . . . . . . . . . . . . . 59.3 ttp -61.58 -41.01 96.8 Favored 'General case' 0 C--O 1.234 0.276 0 CA-C-O 121.346 0.593 . . . . 0.0 110.257 178.475 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 34' ' ' PHE . . . . . 0.531 ' O ' ' HB ' ' A' ' 38' ' ' ILE . 35.3 t80 -64.4 -49.27 72.23 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 115.459 -0.791 . . . . 0.0 110.38 -179.799 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 35' ' ' ASP . . . . . 0.54 ' HA ' ' HB2' ' A' ' 39' ' ' LEU . 10.9 t70 -71.64 -49.34 40.97 Favored 'General case' 0 C--N 1.32 -0.683 0 CA-C-N 116.426 -0.352 . . . . 0.0 111.595 -177.002 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 32.6 t70 -61.82 -36.7 81.93 Favored 'General case' 0 C--N 1.32 -0.688 0 N-CA-C 111.949 0.351 . . . . 0.0 111.949 -172.602 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 4.3 m-20 -100.8 -48.04 4.61 Favored 'General case' 0 C--N 1.329 -0.297 0 N-CA-C 112.576 0.584 . . . . 0.0 112.576 -178.684 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 38' ' ' ILE . . . . . 0.576 HG12 HG13 ' A' ' 58' ' ' VAL . 19.5 mt -80.21 -34.56 15.0 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.401 0 N-CA-C 112.085 0.402 . . . . 0.0 112.085 -170.609 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 39' ' ' LEU . . . . . 0.54 ' HB2' ' HA ' ' A' ' 35' ' ' ASP . 0.4 OUTLIER -63.06 -47.9 85.21 Favored Pre-proline 0 CA--C 1.544 0.712 0 CA-C-O 119.598 -0.239 . . . . 0.0 111.62 -175.56 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 40' ' ' PRO . . . . . 0.528 ' HD3' ' O ' ' A' ' 35' ' ' ASP . 27.7 Cg_exo -64.46 -11.41 28.3 Favored 'Trans proline' 0 C--N 1.355 0.879 0 C-N-CA 121.802 1.668 . . . . 0.0 113.032 177.768 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 41' ' ' ILE . . . . . 0.667 HG22 HG23 ' A' ' 42' ' ' ILE . 48.2 mm -91.78 -57.32 4.38 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.245 0 CA-C-O 120.532 0.206 . . . . 0.0 111.002 -179.254 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 42' ' ' ILE . . . . . 0.667 HG23 HG22 ' A' ' 41' ' ' ILE . 13.5 pt -129.3 5.24 2.6 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.199 0 N-CA-C 112.38 0.511 . . . . 0.0 112.38 -175.419 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 43' ' ' GLY . . . . . 0.496 ' HA3' HD22 ' A' ' 39' ' ' LEU . . . -60.46 -37.73 93.71 Favored Glycine 0 N--CA 1.451 -0.349 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.802 -174.993 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -86.3 5.07 85.32 Favored Glycine 0 N--CA 1.444 -0.787 0 C-N-CA 120.538 -0.839 . . . . 0.0 112.832 -179.746 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 91.0 mt -96.26 146.56 24.61 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 117.142 0.471 . . . . 0.0 110.621 -177.917 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 46' ' ' GLU . . . . . 0.631 ' O ' HG13 ' A' ' 50' ' ' ILE . 41.7 mt-10 -67.5 138.69 56.76 Favored 'General case' 0 C--N 1.327 -0.409 0 N-CA-C 109.228 -0.656 . . . . 0.0 109.228 175.512 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 47' ' ' ILE . . . . . 0.426 HD13 ' HB2' ' A' ' 85' ' ' ALA . 15.5 tt -64.39 -19.15 24.44 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.63 0 CA-C-O 120.98 0.419 . . . . 0.0 111.356 -176.366 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 61.5 mt-30 -89.42 -10.98 44.46 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-O 120.998 0.428 . . . . 0.0 110.353 176.905 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 3.6 t70 -122.38 14.84 10.43 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 116.047 -0.524 . . . . 0.0 110.93 -168.177 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 50' ' ' ILE . . . . . 0.631 HG13 ' O ' ' A' ' 46' ' ' GLU . 85.0 mt -82.79 125.44 39.98 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.417 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.925 -179.139 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 51' ' ' GLU . . . . . 1.002 ' HB2' ' HB2' ' A' ' 54' ' ' GLN . 12.6 mm-40 -66.28 132.69 94.43 Favored Pre-proline 0 C--N 1.323 -0.582 0 CA-C-N 115.362 -0.835 . . . . 0.0 109.969 177.491 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 52' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_exo -54.84 -39.4 90.23 Favored 'Trans proline' 0 N--CA 1.464 -0.252 0 C-N-CA 122.323 2.015 . . . . 0.0 111.649 171.683 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 53' ' ' MET . . . . . . . . . . . . . 68.3 mtm -73.53 -22.34 60.13 Favored 'General case' 0 C--O 1.226 -0.15 0 CA-C-O 120.681 0.277 . . . . 0.0 110.979 176.288 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 54' ' ' GLN . . . . . 1.002 ' HB2' ' HB2' ' A' ' 51' ' ' GLU . 32.7 tp60 -76.19 -40.98 51.01 Favored 'General case' 0 C--N 1.326 -0.449 0 N-CA-C 108.844 -0.799 . . . . 0.0 108.844 176.699 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 55' ' ' LEU . . . . . 0.436 ' O ' ' HB ' ' A' ' 58' ' ' VAL . 34.4 tp -65.78 -33.49 75.98 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-N 115.301 -0.863 . . . . 0.0 108.977 172.733 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 56' ' ' LEU . . . . . 0.472 HD13 ' O ' ' A' ' 56' ' ' LEU . 3.1 tm? -64.82 -34.73 79.06 Favored 'General case' 0 C--O 1.215 -0.735 0 CA-C-N 115.7 -0.682 . . . . 0.0 109.441 173.821 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 28.6 tt0 -62.23 -31.9 72.51 Favored 'General case' 0 C--N 1.33 -0.274 0 N-CA-C 110.277 -0.268 . . . . 0.0 110.277 177.996 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 58' ' ' VAL . . . . . 0.588 ' O ' ' HB3' ' A' ' 61' ' ' ARG . 71.4 t -60.47 -55.34 25.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-O 121.336 0.589 . . . . 0.0 110.49 171.008 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 59' ' ' ILE . . . . . 0.548 HG23 ' HB1' ' A' ' 71' ' ' ALA . 1.8 mp -59.24 -42.31 86.62 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.441 0 CA-C-N 115.684 -0.689 . . . . 0.0 110.407 178.373 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 60' ' ' ARG . . . . . 0.407 ' HB2' HD13 ' A' ' 56' ' ' LEU . 48.2 ttp85 -68.26 -29.46 68.26 Favored 'General case' 0 C--N 1.323 -0.569 0 CA-C-N 115.211 -0.904 . . . . 0.0 110.578 -179.073 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 61' ' ' ARG . . . . . 0.588 ' HB3' ' O ' ' A' ' 58' ' ' VAL . 25.0 tpt180 -58.21 -40.18 80.91 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 115.999 -0.546 . . . . 0.0 109.846 171.583 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 62' ' ' PHE . . . . . 0.505 ' HA ' ' HD3' ' A' ' 65' ' ' ARG . 92.2 m-85 -77.81 -24.33 48.8 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-N 115.977 -0.556 . . . . 0.0 111.205 176.82 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 39.9 mt-10 -65.1 -41.51 94.88 Favored 'General case' 0 N--CA 1.464 0.24 0 CA-C-O 120.615 0.245 . . . . 0.0 110.685 175.321 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 28.6 m-20 -58.05 -28.53 64.6 Favored 'General case' 0 N--CA 1.466 0.334 0 CA-C-O 121.102 0.477 . . . . 0.0 110.449 176.433 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 65' ' ' ARG . . . . . 0.505 ' HD3' ' HA ' ' A' ' 62' ' ' PHE . 24.8 mtp180 -83.85 -35.18 24.38 Favored 'General case' 0 C--N 1.323 -0.551 0 CA-C-N 115.348 -0.842 . . . . 0.0 110.92 179.689 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 99.79 3.76 55.94 Favored Glycine 0 N--CA 1.448 -0.527 0 N-CA-C 111.234 -0.746 . . . . 0.0 111.234 -176.491 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -83.25 87.91 6.94 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-N 115.437 -0.382 . . . . 0.0 110.464 -179.717 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 68' ' ' MET . . . . . 0.505 ' HA ' ' CE ' ' A' ' 68' ' ' MET . 0.0 OUTLIER -69.78 -42.81 73.29 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-N 116.3 -0.409 . . . . 0.0 110.393 -177.121 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 30.3 mt-10 -54.3 -55.3 29.69 Favored 'General case' 0 CA--C 1.516 -0.331 0 CA-C-N 115.941 -0.572 . . . . 0.0 111.093 175.823 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 70' ' ' ARG . . . . . 0.548 ' HA ' ' HB2' ' A' ' 73' ' ' LYS . 82.3 mtt180 -74.55 -12.47 60.48 Favored 'General case' 0 C--N 1.321 -0.641 0 CA-C-N 115.487 -0.778 . . . . 0.0 111.339 -170.963 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 71' ' ' ALA . . . . . 0.548 ' HB1' HG23 ' A' ' 59' ' ' ILE . . . -74.89 -48.4 25.0 Favored 'General case' 0 C--N 1.327 -0.404 0 N-CA-C 109.501 -0.555 . . . . 0.0 109.501 171.281 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 72' ' ' ASN . . . . . . . . . . . . . 94.0 m-20 -69.64 -35.47 75.25 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 115.98 -0.555 . . . . 0.0 110.483 177.077 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 73' ' ' LYS . . . . . 0.548 ' HB2' ' HA ' ' A' ' 70' ' ' ARG . 97.6 mttt -68.26 -25.38 65.15 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.656 176.569 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 74' ' ' ALA . . . . . 0.403 ' HA ' HH21 ' A' ' 77' ' ' ARG . . . -67.37 -54.86 16.83 Favored 'General case' 0 C--N 1.329 -0.32 0 N-CA-C 109.436 -0.579 . . . . 0.0 109.436 172.577 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 75' ' ' ARG . . . . . 0.428 HH11 ' HD3' ' A' ' 75' ' ' ARG . 30.1 ttt180 -53.76 -43.58 69.3 Favored 'General case' 0 C--N 1.332 -0.175 0 CA-C-N 115.596 -0.729 . . . . 0.0 111.083 177.079 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 28.7 ttm180 -60.46 -48.71 80.59 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.137 -178.486 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 77' ' ' ARG . . . . . 0.5 ' O ' HG23 ' A' ' 81' ' ' VAL . 87.9 mtm180 -64.14 -46.4 84.28 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.766 -179.263 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 78' ' ' CYS . . . . . . . . . . . . . 77.4 m -62.24 -35.44 78.94 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.379 -0.373 . . . . 0.0 110.569 178.219 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . -61.59 -39.46 97.39 Favored Glycine 0 N--CA 1.452 -0.254 0 C-N-CA 121.3 -0.476 . . . . 0.0 112.244 177.432 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 42.8 tt0 -70.53 -36.08 73.52 Favored 'General case' 0 C--N 1.328 -0.363 0 N-CA-C 109.889 -0.412 . . . . 0.0 109.889 176.898 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 81' ' ' VAL . . . . . 0.5 HG23 ' O ' ' A' ' 77' ' ' ARG . 97.1 t -60.56 -43.37 94.4 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.201 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.218 174.223 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 82' ' ' PHE . . . . . 0.451 ' O ' HG13 ' A' ' 86' ' ' ILE . 22.4 m-85 -60.51 -45.67 92.96 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 115.971 -0.558 . . . . 0.0 110.36 175.814 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 83' ' ' ARG . . . . . 0.484 ' O ' HG23 ' A' ' 87' ' ' VAL . 34.5 ttm180 -61.6 -41.25 97.17 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.465 178.543 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 84' ' ' TYR . . . . . . . . . . . . . 10.5 t80 -55.27 -40.54 71.13 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 115.796 -0.638 . . . . 0.0 109.707 177.218 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 85' ' ' ALA . . . . . 0.426 ' HB2' HD13 ' A' ' 47' ' ' ILE . . . -71.07 -37.75 72.46 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 115.476 -0.784 . . . . 0.0 111.221 177.899 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 86' ' ' ILE . . . . . 0.451 HG13 ' O ' ' A' ' 82' ' ' PHE . 85.9 mt -61.84 -43.77 97.85 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 CA-C-O 121.036 0.446 . . . . 0.0 110.611 177.745 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 87' ' ' VAL . . . . . 0.484 HG23 ' O ' ' A' ' 83' ' ' ARG . 55.7 t -66.37 -38.65 82.26 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.046 -0.525 . . . . 0.0 111.075 179.348 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 88' ' ' THR . . . . . . . . . . . . . 19.8 p -79.94 -11.4 59.8 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 116.275 -0.421 . . . . 0.0 111.392 -178.802 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . 87.88 13.51 64.46 Favored Glycine 0 N--CA 1.453 -0.204 0 C-N-CA 120.898 -0.667 . . . . 0.0 112.499 179.243 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 90' ' ' ARG . . . . . 0.76 HH11 HG12 ' A' ' 10' ' ' ILE . 99.3 mtt180 -86.91 -16.09 37.01 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-O 120.694 0.283 . . . . 0.0 110.968 -179.487 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . -143.0 159.61 41.91 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-O 120.769 0.319 . . . . 0.0 110.962 -179.61 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 67.1 mttm -119.05 -38.9 2.99 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 116.071 -0.513 . . . . 0.0 110.45 179.261 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 93' ' ' TYR . . . . . . . . . . . . . 85.7 t80 -128.01 137.77 52.34 Favored 'General case' 0 C--N 1.323 -0.579 0 CA-C-N 115.955 -0.566 . . . . 0.0 109.729 178.861 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 94' ' ' ASN . . . . . 0.439 ' C ' ' H ' ' A' ' 96' ' ' ALA . 19.6 p-10 -100.41 125.26 39.92 Favored Pre-proline 0 C--N 1.319 -0.75 0 N-CA-C 109.462 -0.57 . . . . 0.0 109.462 175.449 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 95' ' ' PRO . . . . . 0.42 ' HD3' ' HA ' ' A' ' 94' ' ' ASN . 16.8 Cg_exo -69.11 26.59 0.16 Allowed 'Trans proline' 0 CA--C 1.531 0.372 0 C-N-CA 123.245 2.63 . . . . 0.0 113.19 -177.621 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 96' ' ' ALA . . . . . 0.577 ' HB3' ' HD3' ' A' ' 97' ' ' PRO . . . -70.53 -49.26 16.21 Favored Pre-proline 0 C--N 1.326 -0.44 0 N-CA-C 112.043 0.386 . . . . 0.0 112.043 -178.617 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 97' ' ' PRO . . . . . 0.577 ' HD3' ' HB3' ' A' ' 96' ' ' ALA . 34.0 Cg_exo -60.26 -44.89 25.64 Favored 'Trans proline' 0 C--N 1.355 0.897 0 C-N-CA 121.937 1.758 . . . . 0.0 112.359 176.857 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 26.7 t70 -71.71 -21.54 61.76 Favored 'General case' 0 C--N 1.332 -0.193 0 CA-C-O 120.944 0.402 . . . . 0.0 110.617 -179.498 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 99' ' ' LEU . . . . . . . . . . . . . 3.3 tm? -62.77 -38.2 89.66 Favored 'General case' 0 C--N 1.33 -0.278 0 N-CA-C 109.175 -0.676 . . . . 0.0 109.175 172.963 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 100' ' ' ALA . . . . . . . . . . . . . . . -68.12 -38.19 81.96 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 115.885 -0.598 . . . . 0.0 110.157 177.644 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 4.7 m-20 -65.76 -37.5 86.51 Favored 'General case' 0 CA--C 1.519 -0.244 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.597 175.574 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -66.24 -45.87 79.14 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 116.291 -0.413 . . . . 0.0 110.344 176.2 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 103' ' ' MET . . . . . . . . . . . . . 53.9 ttm -60.11 -23.94 64.25 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-O 121.213 0.53 . . . . 0.0 110.985 177.936 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 104' ' ' LYS . . . . . . . . . . . . . 63.5 tttp . . . . . 0 C--N 1.323 -0.583 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.981 179.501 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 14.1 m120 . . . . . 0 C--O 1.234 0.284 0 N-CA-C 111.68 0.252 . . . . 0.0 111.68 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' A' A ' 6' ' ' SER . . . . . 0.588 ' HA ' ' HA ' ' A' ' 46' ' ' GLU . 74.3 m -64.65 149.83 48.24 Favored 'General case' 0 C--O 1.236 0.377 0 CA-C-O 120.849 0.357 . . . . 0.0 110.594 176.454 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 7' ' ' PHE . . . . . . . . . . . . . 31.9 t80 -58.32 -39.77 80.28 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 115.684 -0.689 . . . . 0.0 110.656 -177.702 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 16.9 p -59.85 -41.75 92.12 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.351 -0.386 . . . . 0.0 111.632 179.796 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -61.96 -48.81 78.73 Favored 'General case' 0 C--O 1.236 0.392 0 CA-C-O 120.986 0.422 . . . . 0.0 110.795 -178.854 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 64.8 mt -68.41 -39.23 80.5 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 115.942 -0.572 . . . . 0.0 110.187 178.468 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 7.0 t80 -56.83 -46.57 81.61 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 115.842 -0.617 . . . . 0.0 111.416 177.032 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 81.2 tttt -63.4 -41.8 98.77 Favored 'General case' 0 C--N 1.329 -0.325 0 C-N-CA 120.659 -0.416 . . . . 0.0 110.673 -178.14 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 37.1 tt0 -65.63 -45.17 84.05 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 121.154 0.502 . . . . 0.0 110.147 178.181 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 14' ' ' TRP . . . . . . . . . . . . . 68.8 t90 -58.96 -46.93 86.84 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 115.491 -0.777 . . . . 0.0 110.417 177.092 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 15' ' ' TYR . . . . . 0.448 ' CE1' ' HB2' ' A' ' 31' ' ' ALA . 24.7 t80 -61.13 -49.11 78.58 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.038 -0.528 . . . . 0.0 111.222 177.727 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 38.6 tt0 -61.4 -30.5 70.59 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-O 121.283 0.563 . . . . 0.0 110.484 -178.77 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 17' ' ' HIS . . . . . 0.647 ' O ' ' HG2' ' A' ' 20' ' ' GLN . 72.9 t60 -78.37 -50.97 10.79 Favored 'General case' 0 C--N 1.323 -0.562 0 CA-C-N 115.778 -0.646 . . . . 0.0 110.296 178.312 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 32.6 mmtm -67.67 -14.39 62.91 Favored 'General case' 0 N--CA 1.467 0.376 0 CA-C-N 116.335 -0.393 . . . . 0.0 111.54 179.684 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 80.4 tttt -57.23 -29.06 63.46 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 115.82 -0.627 . . . . 0.0 111.24 179.287 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 20' ' ' GLN . . . . . 0.647 ' HG2' ' O ' ' A' ' 17' ' ' HIS . 13.4 pt20 -87.29 -5.35 58.95 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.381 -0.372 . . . . 0.0 110.988 -177.66 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 71.5 t -93.3 -49.59 12.73 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.401 0 CA-C-O 121.223 0.535 . . . . 0.0 110.295 179.784 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 22' ' ' TRP . . . . . . . . . . . . . 9.3 m0 -88.17 170.63 10.87 Favored 'General case' 0 C--N 1.32 -0.702 0 CA-C-N 115.608 -0.724 . . . . 0.0 110.382 -179.066 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 7.7 m -79.52 146.53 32.61 Favored 'General case' 0 C--N 1.321 -0.66 0 N-CA-C 109.375 -0.602 . . . . 0.0 109.375 175.067 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 14.4 p -52.66 -39.18 29.3 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.463 0 N-CA-C 112.482 0.549 . . . . 0.0 112.482 -173.668 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -64.61 -53.51 34.73 Favored Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.711 -0.756 . . . . 0.0 111.842 179.302 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 26' ' ' TYR . . . . . . . . . . . . . 73.4 t80 -58.83 -42.86 90.25 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.874 0.369 . . . . 0.0 110.693 178.287 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -61.82 -40.96 97.1 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.023 -0.535 . . . . 0.0 111.149 -179.658 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 62.3 m -66.48 -45.58 79.19 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.463 -0.335 . . . . 0.0 111.002 178.985 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 28.6 mm-40 -60.28 -46.98 87.93 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-O 120.845 0.355 . . . . 0.0 111.144 177.584 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 10.2 tt -60.14 -47.46 85.84 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.012 -0.54 . . . . 0.0 110.297 179.399 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 31' ' ' ALA . . . . . 0.448 ' HB2' ' CE1' ' A' ' 15' ' ' TYR . . . -63.83 -42.57 97.6 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 116.037 -0.529 . . . . 0.0 111.301 -179.235 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 17.8 ttpp -66.44 -45.79 78.63 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-O 120.747 0.308 . . . . 0.0 110.352 -178.233 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 33' ' ' MET . . . . . 0.559 ' SD ' ' HD3' ' A' ' 70' ' ' ARG . 50.7 ttp -59.21 -49.75 76.64 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.059 -0.519 . . . . 0.0 110.543 177.323 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 34' ' ' PHE . . . . . 0.644 ' O ' ' HB ' ' A' ' 38' ' ' ILE . 22.2 t80 -61.84 -38.02 86.66 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 115.506 -0.77 . . . . 0.0 110.051 -179.188 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 35' ' ' ASP . . . . . 0.762 ' HA ' HD23 ' A' ' 39' ' ' LEU . 13.2 t70 -65.99 -53.82 34.01 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 115.939 -0.573 . . . . 0.0 110.768 178.931 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 58.5 m-20 -55.92 -36.26 67.52 Favored 'General case' 0 N--CA 1.468 0.441 0 CA-C-N 115.871 -0.604 . . . . 0.0 112.578 -174.333 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 37' ' ' ASP . . . . . 0.448 ' O ' HG12 ' A' ' 41' ' ' ILE . 21.1 m-20 -103.2 -50.95 3.35 Favored 'General case' 0 C--N 1.324 -0.521 0 N-CA-C 112.766 0.654 . . . . 0.0 112.766 -175.841 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 38' ' ' ILE . . . . . 0.644 ' HB ' ' O ' ' A' ' 34' ' ' PHE . 2.0 mp -68.89 -41.26 81.97 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.426 0 N-CA-C 112.021 0.378 . . . . 0.0 112.021 -172.913 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 39' ' ' LEU . . . . . 0.762 HD23 ' HA ' ' A' ' 35' ' ' ASP . 3.1 mm? -60.05 -51.13 82.67 Favored Pre-proline 0 CA--C 1.535 0.371 0 N-CA-C 112.716 0.636 . . . . 0.0 112.716 -174.508 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 33.4 Cg_exo -61.03 -18.77 59.82 Favored 'Trans proline' 0 C--N 1.351 0.661 0 C-N-CA 122.065 1.844 . . . . 0.0 113.187 177.389 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 41' ' ' ILE . . . . . 0.503 HG22 HG23 ' A' ' 42' ' ' ILE . 43.0 mm -97.13 -64.67 1.33 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-O 120.614 0.245 . . . . 0.0 111.396 -176.592 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 42' ' ' ILE . . . . . 0.503 HG23 HG22 ' A' ' 41' ' ' ILE . 10.9 pt -121.46 3.81 6.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 N-CA-C 111.857 0.317 . . . . 0.0 111.857 -175.908 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 43' ' ' GLY . . . . . 0.54 ' HA3' ' HA ' ' A' ' 39' ' ' LEU . . . -56.92 -42.24 92.32 Favored Glycine 0 CA--C 1.512 -0.108 0 C-N-CA 120.847 -0.692 . . . . 0.0 112.673 -175.94 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -88.65 8.92 77.95 Favored Glycine 0 N--CA 1.447 -0.582 0 C-N-CA 120.766 -0.73 . . . . 0.0 112.832 -178.514 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 96.0 mt -95.59 141.36 29.19 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 116.961 0.38 . . . . 0.0 110.149 179.531 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 46' ' ' GLU . . . . . 0.588 ' HA ' ' HA ' ' A' ' 6' ' ' SER . 45.9 mt-10 -71.28 136.75 48.08 Favored 'General case' 0 C--N 1.32 -0.683 0 N-CA-C 109.542 -0.54 . . . . 0.0 109.542 175.778 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 14.6 tt -60.9 -23.06 28.32 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.573 0 CA-C-N 115.966 -0.561 . . . . 0.0 112.148 -170.098 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 68.7 mt-30 -90.77 -5.74 55.27 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.757 -0.201 . . . . 0.0 111.229 178.912 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 21.4 t70 -122.31 6.53 9.64 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-O 120.892 0.377 . . . . 0.0 111.384 -172.76 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 50' ' ' ILE . . . . . 0.487 HG13 ' O ' ' A' ' 46' ' ' GLU . 74.1 mt -71.83 127.11 33.44 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 CA-C-O 121.008 0.432 . . . . 0.0 110.516 179.388 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 51' ' ' GLU . . . . . 0.403 ' HA ' ' HD3' ' A' ' 52' ' ' PRO . 1.5 pm0 -84.14 144.76 44.68 Favored Pre-proline 0 C--N 1.32 -0.682 0 CA-C-N 115.769 -0.65 . . . . 0.0 110.989 -178.975 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 52' ' ' PRO . . . . . 0.476 ' HB3' ' HB3' ' A' ' 98' ' ' ASP . 68.5 Cg_exo -51.86 -46.68 30.64 Favored 'Trans proline' 0 C--O 1.233 0.233 0 C-N-CA 123.486 2.79 . . . . 0.0 113.378 -178.96 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 53' ' ' MET . . . . . . . . . . . . . 89.7 mtp -69.25 -21.92 63.87 Favored 'General case' 0 C--N 1.328 -0.364 0 N-CA-C 111.842 0.312 . . . . 0.0 111.842 -174.966 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 7.3 tp60 -82.45 -31.94 29.21 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-O 121.365 0.602 . . . . 0.0 109.68 177.466 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 29.1 tp -69.87 -39.73 76.16 Favored 'General case' 0 C--N 1.324 -0.51 0 N-CA-C 109.27 -0.641 . . . . 0.0 109.27 175.323 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 2.6 tm? -64.56 -29.64 70.66 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 115.763 -0.653 . . . . 0.0 109.414 173.664 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 57' ' ' GLU . . . . . 0.422 ' CD ' HH21 ' A' ' 60' ' ' ARG . 6.0 tp10 -63.19 -34.93 78.7 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.182 177.663 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 58' ' ' VAL . . . . . 0.482 HG11 HG13 ' A' ' 38' ' ' ILE . 76.7 t -61.82 -54.47 34.25 Favored 'Isoleucine or valine' 0 C--O 1.233 0.184 0 CA-C-O 120.962 0.41 . . . . 0.0 110.406 173.481 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 59' ' ' ILE . . . . . . . . . . . . . 1.8 mp -55.32 -44.08 73.92 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.272 0 CA-C-N 115.998 -0.546 . . . . 0.0 110.387 177.906 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 60' ' ' ARG . . . . . 0.422 HH21 ' CD ' ' A' ' 57' ' ' GLU . 24.9 ttp180 -70.77 -23.56 62.42 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 115.712 -0.676 . . . . 0.0 111.142 -178.151 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 15.5 tpt180 -64.74 -40.5 95.42 Favored 'General case' 0 C--N 1.33 -0.259 0 N-CA-C 109.663 -0.495 . . . . 0.0 109.663 175.215 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 62' ' ' PHE . . . . . . . . . . . . . 79.4 m-85 -72.97 -30.03 63.52 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 115.975 -0.557 . . . . 0.0 111.023 176.309 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 34.8 tt0 -64.04 -39.42 94.06 Favored 'General case' 0 C--N 1.331 -0.206 0 N-CA-C 109.897 -0.409 . . . . 0.0 109.897 176.123 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 12.7 t70 -57.28 -37.35 72.25 Favored 'General case' 0 N--CA 1.463 0.19 0 CA-C-N 115.743 -0.662 . . . . 0.0 110.806 176.024 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 91.6 mtt-85 -75.55 -23.1 56.57 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 115.801 -0.636 . . . . 0.0 110.802 179.55 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 90.44 7.88 66.68 Favored Glycine 0 N--CA 1.447 -0.606 0 C-N-CA 120.7 -0.762 . . . . 0.0 111.223 -173.949 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -89.51 88.5 7.47 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-O 120.931 0.396 . . . . 0.0 110.253 -179.183 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 68' ' ' MET . . . . . 0.518 ' HA ' ' CE ' ' A' ' 68' ' ' MET . 0.0 OUTLIER -72.97 -35.12 66.86 Favored 'General case' 0 C--N 1.324 -0.538 0 CA-C-N 116.0 -0.545 . . . . 0.0 110.394 -176.038 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 24.0 tt0 -60.58 -54.5 44.71 Favored 'General case' 0 CA--C 1.519 -0.24 0 CA-C-N 116.028 -0.533 . . . . 0.0 110.014 178.229 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 70' ' ' ARG . . . . . 0.559 ' HD3' ' SD ' ' A' ' 33' ' ' MET . 48.3 mtt-85 -66.92 -25.13 66.22 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 115.474 -0.784 . . . . 0.0 110.968 -176.147 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -65.96 -50.19 65.21 Favored 'General case' 0 C--O 1.235 0.318 0 CA-C-O 121.156 0.503 . . . . 0.0 110.344 175.769 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 72' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -71.75 -27.99 63.36 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-O 121.284 0.564 . . . . 0.0 110.297 179.021 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 73' ' ' LYS . . . . . 0.419 ' HB3' ' HA ' ' A' ' 70' ' ' ARG . 75.6 tttt -73.49 -37.95 65.55 Favored 'General case' 0 C--N 1.323 -0.546 0 CA-C-N 115.469 -0.787 . . . . 0.0 110.62 179.613 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -58.69 -51.46 69.85 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.508 -0.315 . . . . 0.0 110.237 175.535 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 70.6 ttt180 -51.06 -50.09 59.36 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 115.946 -0.57 . . . . 0.0 111.271 178.532 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 83.6 mtm180 -73.12 -27.54 61.75 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-N 115.833 -0.621 . . . . 0.0 111.801 -175.54 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 77' ' ' ARG . . . . . 0.628 ' NE ' ' HA ' ' A' ' 77' ' ' ARG . 0.0 OUTLIER -79.06 -35.25 42.84 Favored 'General case' 0 C--N 1.329 -0.291 0 C-N-CA 120.71 -0.396 . . . . 0.0 110.066 179.266 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 78' ' ' CYS . . . . . . . . . . . . . 94.9 m -65.83 -40.18 91.56 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 120.805 0.336 . . . . 0.0 110.184 174.547 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . -60.98 -33.22 83.02 Favored Glycine 0 C--N 1.334 0.421 0 C-N-CA 120.896 -0.669 . . . . 0.0 111.931 174.768 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 80' ' ' GLU . . . . . 0.427 ' HB3' ' O ' ' A' ' 77' ' ' ARG . 28.1 tp10 -65.1 -43.58 91.61 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-O 120.9 0.381 . . . . 0.0 110.254 175.208 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 81' ' ' VAL . . . . . 0.411 HG23 ' O ' ' A' ' 77' ' ' ARG . 62.0 t -64.86 -40.46 89.15 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.251 0 CA-C-N 116.291 -0.413 . . . . 0.0 110.455 177.012 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 82' ' ' PHE . . . . . 0.432 ' O ' HG13 ' A' ' 86' ' ' ILE . 19.1 m-85 -60.1 -43.43 95.59 Favored 'General case' 0 C--N 1.332 -0.154 0 CA-C-N 116.292 -0.413 . . . . 0.0 110.378 176.379 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 83' ' ' ARG . . . . . 0.412 ' O ' HG23 ' A' ' 87' ' ' VAL . 31.8 ttt180 -57.37 -49.76 75.13 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 115.949 -0.569 . . . . 0.0 110.307 175.968 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 84' ' ' TYR . . . . . . . . . . . . . 64.4 t80 -56.11 -42.76 77.33 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 115.941 -0.572 . . . . 0.0 110.428 179.072 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -67.62 -35.59 79.23 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 115.819 -0.628 . . . . 0.0 111.839 -178.179 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 86' ' ' ILE . . . . . 0.432 HG13 ' O ' ' A' ' 82' ' ' PHE . 82.2 mt -66.93 -42.59 89.08 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.446 0 CA-C-O 121.061 0.457 . . . . 0.0 110.17 176.982 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 87' ' ' VAL . . . . . 0.412 HG23 ' O ' ' A' ' 83' ' ' ARG . 64.5 t -68.06 -33.86 63.45 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.37 0 CA-C-N 115.884 -0.598 . . . . 0.0 110.907 179.416 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 88' ' ' THR . . . . . . . . . . . . . 17.0 p -85.2 0.42 51.89 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-O 120.875 0.369 . . . . 0.0 111.467 179.903 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . 69.39 30.86 71.18 Favored Glycine 0 N--CA 1.452 -0.286 0 C-N-CA 121.194 -0.527 . . . . 0.0 112.757 177.227 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 99.2 mtt180 -113.29 -3.38 13.84 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-O 120.568 0.223 . . . . 0.0 111.022 179.624 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . -139.04 130.71 27.4 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-O 120.893 0.378 . . . . 0.0 110.884 176.924 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 63.7 tttp -96.63 -34.73 11.29 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 115.757 -0.656 . . . . 0.0 110.378 179.003 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 93' ' ' TYR . . . . . . . . . . . . . 87.7 t80 -142.71 144.37 32.66 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 115.573 -0.74 . . . . 0.0 109.683 -178.102 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 94' ' ' ASN . . . . . . . . . . . . . 26.2 p-10 -120.52 133.8 24.09 Favored Pre-proline 0 C--N 1.323 -0.55 0 CA-C-O 120.786 0.327 . . . . 0.0 110.459 178.228 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 95' ' ' PRO . . . . . . . . . . . . . 73.3 Cg_endo -76.7 34.28 0.44 Allowed 'Trans proline' 0 CA--C 1.529 0.255 0 C-N-CA 122.999 2.466 . . . . 0.0 113.04 -178.096 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 96' ' ' ALA . . . . . 0.524 ' N ' ' HD2' ' A' ' 97' ' ' PRO . . . -68.12 -48.31 38.14 Favored Pre-proline 0 CA--C 1.537 0.47 0 CA-C-N 116.333 -0.394 . . . . 0.0 111.661 -179.203 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 97' ' ' PRO . . . . . 0.524 ' HD2' ' N ' ' A' ' 96' ' ' ALA . 18.0 Cg_endo -60.62 -35.54 89.29 Favored 'Trans proline' 0 C--N 1.357 1.003 0 C-N-CA 121.82 1.68 . . . . 0.0 111.615 174.514 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 98' ' ' ASP . . . . . 0.476 ' HB3' ' HB3' ' A' ' 52' ' ' PRO . 15.0 m-20 -66.93 -37.96 85.3 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.022 -0.535 . . . . 0.0 110.268 178.987 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 99' ' ' LEU . . . . . 0.456 HD13 ' C ' ' A' ' 99' ' ' LEU . 3.3 tm? -54.76 -49.74 70.15 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 115.421 -0.808 . . . . 0.0 109.956 175.22 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 100' ' ' ALA . . . . . 0.554 ' O ' ' HG3' ' A' ' 104' ' ' LYS . . . -71.7 -24.57 61.83 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-N 115.787 -0.642 . . . . 0.0 110.967 -179.152 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 17.6 t70 -68.35 -50.41 53.4 Favored 'General case' 0 C--N 1.324 -0.531 0 CA-C-N 115.936 -0.575 . . . . 0.0 110.514 -179.724 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -65.51 -35.79 81.91 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-N 115.963 -0.562 . . . . 0.0 110.598 177.592 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 103' ' ' MET . . . . . . . . . . . . . 54.5 ttm -55.22 -39.54 69.78 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.087 -0.506 . . . . 0.0 111.12 177.494 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 104' ' ' LYS . . . . . 0.554 ' HG3' ' O ' ' A' ' 100' ' ' ALA . 43.7 mttp . . . . . 0 C--N 1.33 -0.252 0 CA-C-O 120.848 0.356 . . . . 0.0 110.79 178.596 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 29.1 p-10 . . . . . 0 C--O 1.236 0.359 0 N-CA-C 111.666 0.247 . . . . 0.0 111.666 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 62.1 p -69.75 154.07 42.49 Favored 'General case' 0 C--O 1.238 0.467 0 N-CA-C 110.011 -0.366 . . . . 0.0 110.011 176.916 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 7' ' ' PHE . . . . . . . . . . . . . 43.5 t80 -60.96 -41.09 95.67 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-N 116.38 -0.373 . . . . 0.0 110.548 -178.363 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 29.0 t -60.48 -39.53 87.97 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.463 -0.335 . . . . 0.0 111.185 179.487 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -66.87 -45.38 78.27 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.937 0.398 . . . . 0.0 111.163 -178.556 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 56.0 mt -73.46 -33.77 40.82 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.436 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.511 -179.806 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 0.4 OUTLIER -60.09 -41.02 91.61 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.232 173.39 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 4.9 tmtp? -63.57 -44.27 94.59 Favored 'General case' 0 C--N 1.326 -0.44 0 N-CA-C 109.915 -0.402 . . . . 0.0 109.915 179.66 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 10.4 tp10 -60.3 -49.56 77.12 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 115.95 -0.568 . . . . 0.0 110.154 176.261 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 14' ' ' TRP . . . . . 0.59 ' HH2' ' HD3' ' A' ' 77' ' ' ARG . 64.6 t90 -56.79 -49.2 76.05 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 115.431 -0.804 . . . . 0.0 110.614 177.121 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 15' ' ' TYR . . . . . 0.441 ' CE1' ' HB2' ' A' ' 31' ' ' ALA . 35.6 t80 -55.74 -50.83 69.32 Favored 'General case' 0 C--O 1.223 -0.297 0 CA-C-N 116.123 -0.49 . . . . 0.0 111.462 -179.827 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 41.1 mt-10 -62.45 -27.79 69.36 Favored 'General case' 0 C--N 1.327 -0.37 0 N-CA-C 111.71 0.263 . . . . 0.0 111.71 -176.994 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 17' ' ' HIS . . . . . . . . . . . . . 75.1 t60 -78.89 -43.91 23.87 Favored 'General case' 0 C--N 1.323 -0.554 0 CA-C-O 120.733 0.301 . . . . 0.0 110.396 178.264 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 18' ' ' LYS . . . . . 0.544 ' HG2' ' O ' ' A' ' 14' ' ' TRP . 24.9 mmmt -71.05 -25.3 62.58 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 121.248 0.547 . . . . 0.0 109.91 178.926 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 89.1 tttt -62.5 -16.68 57.01 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 115.484 -0.78 . . . . 0.0 111.007 -179.614 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 70.8 mm-40 -79.52 -28.59 41.35 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-O 120.725 0.297 . . . . 0.0 110.775 -179.993 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 28.3 m -100.94 -9.23 9.02 Favored 'Isoleucine or valine' 0 C--O 1.236 0.359 0 CA-C-O 120.838 0.352 . . . . 0.0 111.423 -177.612 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 22' ' ' TRP . . . . . . . . . . . . . 52.7 m0 -102.74 160.0 14.98 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-O 120.846 0.355 . . . . 0.0 110.25 177.808 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 5.8 p -77.32 133.71 38.7 Favored 'General case' 0 C--N 1.323 -0.567 0 N-CA-C 108.645 -0.872 . . . . 0.0 108.645 170.921 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 43.0 t -56.32 -38.52 55.59 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.421 0 N-CA-C 112.147 0.425 . . . . 0.0 112.147 -171.688 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -58.24 -51.92 55.68 Favored Glycine 0 N--CA 1.451 -0.358 0 C-N-CA 120.712 -0.756 . . . . 0.0 111.76 177.146 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 26' ' ' TYR . . . . . . . . . . . . . 82.0 t80 -66.85 -40.63 87.99 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-O 120.673 0.273 . . . . 0.0 110.868 178.377 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -57.9 -39.26 77.48 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.004 -179.077 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 8.5 m -72.34 -37.07 68.94 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-N 116.453 -0.34 . . . . 0.0 110.827 -179.832 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 72.7 mm-40 -63.64 -45.71 89.0 Favored 'General case' 0 C--O 1.234 0.259 0 CA-C-O 120.952 0.406 . . . . 0.0 110.065 176.848 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 9.4 tt -64.0 -47.48 80.13 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 115.806 -0.634 . . . . 0.0 110.049 178.87 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 31' ' ' ALA . . . . . 0.441 ' HB2' ' CE1' ' A' ' 15' ' ' TYR . . . -58.37 -44.3 88.82 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 115.859 -0.609 . . . . 0.0 111.253 -178.485 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 86.0 tttt -67.11 -41.33 86.43 Favored 'General case' 0 C--O 1.221 -0.413 0 C-N-CA 120.165 -0.614 . . . . 0.0 111.009 -178.247 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 33' ' ' MET . . . . . . . . . . . . . 24.3 ttp -60.03 -46.84 88.17 Favored 'General case' 0 N--CA 1.465 0.29 0 CA-C-O 121.238 0.542 . . . . 0.0 109.684 177.759 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 34' ' ' PHE . . . . . 0.467 ' CD2' HG13 ' A' ' 38' ' ' ILE . 26.7 t80 -57.96 -60.04 4.34 Favored 'General case' 0 C--O 1.219 -0.514 0 CA-C-N 115.097 -0.956 . . . . 0.0 109.236 177.456 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 35' ' ' ASP . . . . . 0.629 ' HA ' HD23 ' A' ' 39' ' ' LEU . 13.9 t70 -54.19 -46.66 72.47 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-N 116.003 -0.544 . . . . 0.0 111.831 -178.693 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 27.3 t70 -63.45 -31.72 72.96 Favored 'General case' 0 C--N 1.327 -0.38 0 N-CA-C 112.382 0.512 . . . . 0.0 112.382 -173.676 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 5.1 m-20 -99.4 -39.92 8.14 Favored 'General case' 0 C--N 1.328 -0.346 0 N-CA-C 111.83 0.307 . . . . 0.0 111.83 179.213 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 38' ' ' ILE . . . . . 0.49 HD13 HG11 ' A' ' 58' ' ' VAL . 25.8 mm -67.04 -44.99 87.91 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 CA-C-N 116.347 -0.388 . . . . 0.0 111.784 -177.086 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 39' ' ' LEU . . . . . 0.63 ' HA ' ' HA3' ' A' ' 43' ' ' GLY . 2.6 mm? -60.92 -51.9 76.11 Favored Pre-proline 0 C--N 1.326 -0.422 0 N-CA-C 113.421 0.897 . . . . 0.0 113.421 -171.703 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 40' ' ' PRO . . . . . 0.415 ' HD2' ' N ' ' A' ' 39' ' ' LEU . 44.4 Cg_endo -68.42 -3.6 11.3 Favored 'Trans proline' 0 C--N 1.35 0.657 0 C-N-CA 121.909 1.739 . . . . 0.0 113.184 -179.623 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 41' ' ' ILE . . . . . 0.636 HG22 HG23 ' A' ' 42' ' ' ILE . 36.3 mm -110.63 -56.11 4.6 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.376 0 CA-C-O 120.507 0.194 . . . . 0.0 111.369 179.76 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 42' ' ' ILE . . . . . 0.636 HG23 HG22 ' A' ' 41' ' ' ILE . 6.0 pt -136.2 4.17 0.92 Allowed 'Isoleucine or valine' 0 N--CA 1.467 0.404 0 N-CA-C 112.842 0.682 . . . . 0.0 112.842 -173.864 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 43' ' ' GLY . . . . . 0.63 ' HA3' ' HA ' ' A' ' 39' ' ' LEU . . . -59.65 -40.55 96.61 Favored Glycine 0 CA--C 1.51 -0.271 0 C-N-CA 120.507 -0.854 . . . . 0.0 113.262 -173.257 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -91.5 12.08 70.32 Favored Glycine 0 N--CA 1.441 -1.009 0 C-N-CA 120.645 -0.788 . . . . 0.0 112.338 -177.867 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 81.2 mt -96.76 152.49 18.62 Favored 'General case' 0 N--CA 1.449 -0.478 0 CA-C-N 116.886 0.343 . . . . 0.0 110.153 179.804 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 46' ' ' GLU . . . . . 0.558 ' O ' HG13 ' A' ' 50' ' ' ILE . 43.4 mt-10 -68.59 137.25 54.12 Favored 'General case' 0 C--N 1.324 -0.534 0 N-CA-C 108.766 -0.827 . . . . 0.0 108.766 174.597 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 47' ' ' ILE . . . . . 0.48 HD11 ' HA ' ' A' ' 82' ' ' PHE . 19.0 tt -61.96 -21.36 26.0 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.584 0 CA-C-O 121.424 0.63 . . . . 0.0 110.796 -177.313 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 42.8 mt-30 -86.71 -20.7 27.33 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 115.654 -0.703 . . . . 0.0 110.871 178.427 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 20.9 t70 -113.41 22.11 14.52 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-O 121.254 0.549 . . . . 0.0 111.092 -166.38 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 50' ' ' ILE . . . . . 0.558 HG13 ' O ' ' A' ' 46' ' ' GLU . 83.6 mt -88.94 128.31 41.14 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.045 179.778 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 51' ' ' GLU . . . . . 0.984 ' HB2' ' HB2' ' A' ' 54' ' ' GLN . 57.3 mm-40 -67.52 145.05 98.18 Favored Pre-proline 0 C--N 1.327 -0.398 0 CA-C-N 115.526 -0.761 . . . . 0.0 110.681 179.576 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 52' ' ' PRO . . . . . . . . . . . . . 44.9 Cg_exo -57.04 -45.14 37.97 Favored 'Trans proline' 0 C--N 1.342 0.23 0 C-N-CA 122.545 2.163 . . . . 0.0 112.114 176.738 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 53' ' ' MET . . . . . 0.43 ' HA ' ' HB3' ' A' ' 56' ' ' LEU . 85.1 mtp -78.32 -8.29 58.24 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 120.966 0.413 . . . . 0.0 110.699 179.459 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 54' ' ' GLN . . . . . 0.984 ' HB2' ' HB2' ' A' ' 51' ' ' GLU . 31.3 tp60 -81.46 -41.46 21.76 Favored 'General case' 0 C--N 1.324 -0.512 0 N-CA-C 108.818 -0.808 . . . . 0.0 108.818 176.868 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 28.8 tp -65.57 -37.42 86.62 Favored 'General case' 0 C--N 1.324 -0.531 0 CA-C-N 115.423 -0.808 . . . . 0.0 109.034 172.725 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 56' ' ' LEU . . . . . 0.525 ' O ' HD22 ' A' ' 56' ' ' LEU . 1.9 tm? -63.42 -34.73 78.38 Favored 'General case' 0 C--O 1.221 -0.44 0 CA-C-N 115.608 -0.724 . . . . 0.0 109.911 173.344 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 57' ' ' GLU . . . . . 0.475 ' HG3' ' NH2' ' A' ' 60' ' ' ARG . 28.4 tt0 -59.88 -36.35 76.74 Favored 'General case' 0 C--N 1.325 -0.465 0 N-CA-C 110.404 -0.221 . . . . 0.0 110.404 179.783 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 58' ' ' VAL . . . . . 0.508 ' O ' ' HB3' ' A' ' 61' ' ' ARG . 90.4 t -62.31 -57.98 9.63 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.381 0 CA-C-O 121.12 0.486 . . . . 0.0 110.995 173.639 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 59' ' ' ILE . . . . . 0.571 HG23 ' HB1' ' A' ' 71' ' ' ALA . 1.7 mp -58.24 -44.2 87.46 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.42 0 CA-C-N 116.043 -0.526 . . . . 0.0 110.716 -179.178 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 60' ' ' ARG . . . . . 0.475 ' NH2' ' HG3' ' A' ' 57' ' ' GLU . 34.0 ttp180 -62.03 -32.83 73.37 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 115.816 -0.629 . . . . 0.0 110.453 178.15 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 61' ' ' ARG . . . . . 0.508 ' HB3' ' O ' ' A' ' 58' ' ' VAL . 19.8 tpt85 -61.81 -35.56 78.57 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 115.82 -0.627 . . . . 0.0 110.235 176.991 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 62' ' ' PHE . . . . . . . . . . . . . 71.7 m-85 -75.34 -42.91 53.2 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.589 175.415 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 63' ' ' GLU . . . . . 0.406 ' HG3' ' O ' ' A' ' 59' ' ' ILE . 42.7 mt-10 -61.32 -29.41 69.86 Favored 'General case' 0 N--CA 1.465 0.288 0 CA-C-O 121.044 0.449 . . . . 0.0 111.026 179.317 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 35.9 t70 -61.6 -26.69 68.14 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-N 115.617 -0.72 . . . . 0.0 110.776 178.147 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 65' ' ' ARG . . . . . 0.42 ' NH1' ' HG3' ' A' ' 61' ' ' ARG . 2.6 mpp_? -102.99 -0.07 31.43 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.865 177.28 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 81.57 13.12 80.77 Favored Glycine 0 N--CA 1.447 -0.587 0 C-N-CA 120.458 -0.877 . . . . 0.0 111.779 179.548 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 67' ' ' ALA . . . . . 0.477 ' HB1' ' HB2' ' A' ' 70' ' ' ARG . . . -83.4 73.81 10.13 Favored 'General case' 0 C--N 1.321 -0.631 0 N-CA-C 109.738 -0.467 . . . . 0.0 109.738 178.223 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 68' ' ' MET . . . . . . . . . . . . . 38.7 mmm -71.72 -40.07 69.69 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-N 115.876 -0.602 . . . . 0.0 110.623 -173.093 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 19.6 mm-40 -69.83 -35.66 74.96 Favored 'General case' 0 C--N 1.323 -0.58 0 CA-C-N 115.85 -0.614 . . . . 0.0 110.019 179.498 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 70' ' ' ARG . . . . . 0.477 ' HB2' ' HB1' ' A' ' 67' ' ' ALA . 70.2 mtt180 -69.97 -34.24 73.13 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.253 176.887 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 71' ' ' ALA . . . . . 0.571 ' HB1' HG23 ' A' ' 59' ' ' ILE . . . -62.34 -49.36 75.9 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-O 120.97 0.414 . . . . 0.0 110.147 175.803 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 72' ' ' ASN . . . . . . . . . . . . . 29.5 m-80 -61.1 -36.99 81.15 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 115.814 -0.63 . . . . 0.0 110.828 175.398 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 85.0 tttt -63.71 -50.96 67.12 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 115.826 -0.625 . . . . 0.0 110.117 178.408 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -55.1 -49.76 70.9 Favored 'General case' 0 CA--C 1.52 -0.201 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.423 177.478 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 75.2 ttt180 -51.26 -46.6 62.44 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 115.114 -0.948 . . . . 0.0 111.776 179.51 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 45.1 ttm-85 -74.17 -44.03 55.06 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.545 -0.298 . . . . 0.0 111.399 -177.382 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 77' ' ' ARG . . . . . 0.59 ' HD3' ' HH2' ' A' ' 14' ' ' TRP . 2.2 mmp_? -60.26 -42.38 95.21 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.546 -0.297 . . . . 0.0 110.353 -179.869 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 78' ' ' CYS . . . . . . . . . . . . . 85.2 m -64.41 -39.12 93.23 Favored 'General case' 0 CA--C 1.523 -0.082 0 CA-C-N 116.427 -0.352 . . . . 0.0 110.465 177.843 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . -55.03 -36.93 61.71 Favored Glycine 0 C--N 1.333 0.38 0 C-N-CA 121.255 -0.498 . . . . 0.0 112.382 177.695 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 47.3 mt-10 -71.4 -36.29 71.31 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-O 120.501 0.191 . . . . 0.0 111.291 177.408 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 56.6 t -61.31 -46.74 96.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-O 121.062 0.458 . . . . 0.0 109.777 175.322 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 82' ' ' PHE . . . . . 0.48 ' HA ' HD11 ' A' ' 47' ' ' ILE . 67.2 m-85 -61.75 -41.22 97.39 Favored 'General case' 0 C--N 1.333 -0.14 0 CA-C-N 115.785 -0.643 . . . . 0.0 110.123 174.794 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 83' ' ' ARG . . . . . 0.479 ' O ' HG23 ' A' ' 87' ' ' VAL . 40.0 ttm180 -58.22 -46.72 85.38 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 115.746 -0.661 . . . . 0.0 111.122 -179.903 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 84' ' ' TYR . . . . . . . . . . . . . 68.2 t80 -60.43 -41.57 94.26 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-O 120.808 0.337 . . . . 0.0 110.114 178.416 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 85' ' ' ALA . . . . . 0.453 ' HA ' HG22 ' A' ' 88' ' ' THR . . . -63.53 -32.55 74.04 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 115.943 -0.571 . . . . 0.0 111.066 178.82 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 86' ' ' ILE . . . . . 0.473 HG13 ' O ' ' A' ' 82' ' ' PHE . 75.2 mt -71.28 -44.25 73.23 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.4 0 CA-C-O 120.704 0.288 . . . . 0.0 110.237 176.296 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 87' ' ' VAL . . . . . 0.479 HG23 ' O ' ' A' ' 83' ' ' ARG . 92.5 t -60.73 -41.19 87.44 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.237 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.036 179.407 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 88' ' ' THR . . . . . 0.526 HG23 ' HG3' ' A' ' 90' ' ' ARG . 15.2 t -81.99 5.87 17.87 Favored 'General case' 0 CA--C 1.537 0.477 0 CA-C-O 121.007 0.432 . . . . 0.0 110.908 179.981 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . 67.66 30.45 74.75 Favored Glycine 0 C--N 1.329 0.18 0 C-N-CA 121.296 -0.478 . . . . 0.0 113.461 173.53 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 90' ' ' ARG . . . . . 0.526 ' HG3' HG23 ' A' ' 88' ' ' THR . 99.6 mtt180 -99.82 -41.2 7.35 Favored 'General case' 0 C--N 1.322 -0.601 0 CA-C-O 121.035 0.445 . . . . 0.0 110.25 176.785 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . -104.33 136.56 43.69 Favored 'General case' 0 C--N 1.32 -0.688 0 CA-C-N 115.822 -0.626 . . . . 0.0 110.278 179.028 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 62.4 tttp -101.42 -30.21 11.57 Favored 'General case' 0 C--N 1.32 -0.709 0 CA-C-O 121.333 0.587 . . . . 0.0 109.809 179.846 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 93' ' ' TYR . . . . . . . . . . . . . 93.0 t80 -146.88 135.55 22.11 Favored 'General case' 0 C--N 1.321 -0.664 0 CA-C-N 115.416 -0.811 . . . . 0.0 110.276 -177.05 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 94' ' ' ASN . . . . . . . . . . . . . 26.2 p-10 -112.37 133.78 21.7 Favored Pre-proline 0 C--N 1.32 -0.704 0 CA-C-N 115.961 -0.563 . . . . 0.0 109.798 176.503 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 95' ' ' PRO . . . . . 0.41 ' HA ' ' OD1' ' A' ' 98' ' ' ASP . 73.8 Cg_endo -76.99 36.9 0.55 Allowed 'Trans proline' 0 CA--C 1.532 0.379 0 C-N-CA 122.705 2.27 . . . . 0.0 112.905 -177.304 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 96' ' ' ALA . . . . . 0.523 ' N ' ' HD2' ' A' ' 97' ' ' PRO . . . -70.45 -46.53 19.19 Favored Pre-proline 0 CA--C 1.537 0.471 0 CA-C-N 116.324 -0.398 . . . . 0.0 111.816 179.754 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 97' ' ' PRO . . . . . 0.523 ' HD2' ' N ' ' A' ' 96' ' ' ALA . 20.5 Cg_endo -63.06 -34.2 70.78 Favored 'Trans proline' 0 C--N 1.355 0.92 0 C-N-CA 121.686 1.591 . . . . 0.0 111.723 174.499 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 98' ' ' ASP . . . . . 0.41 ' OD1' ' HA ' ' A' ' 95' ' ' PRO . 3.8 m-20 -66.04 -44.31 85.01 Favored 'General case' 0 CA--C 1.518 -0.265 0 CA-C-N 115.818 -0.628 . . . . 0.0 109.547 176.736 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 99' ' ' LEU . . . . . 0.435 ' HB3' ' O ' ' A' ' 96' ' ' ALA . 1.7 tm? -51.67 -46.44 63.79 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 114.978 -1.01 . . . . 0.0 110.313 174.528 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 100' ' ' ALA . . . . . 0.53 ' O ' ' HG3' ' A' ' 104' ' ' LYS . . . -60.96 -52.18 66.1 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.416 -179.339 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 13.3 t70 -66.36 -42.12 88.49 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.066 -174.966 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -61.52 -44.95 96.13 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 115.995 -0.548 . . . . 0.0 110.656 178.232 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 103' ' ' MET . . . . . . . . . . . . . 29.5 ttm -55.39 -35.51 65.39 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 115.986 -0.552 . . . . 0.0 110.954 177.798 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 104' ' ' LYS . . . . . 0.53 ' HG3' ' O ' ' A' ' 100' ' ' ALA . 94.0 mttt . . . . . 0 C--N 1.326 -0.427 0 CA-C-N 115.926 -0.579 . . . . 0.0 111.071 -179.939 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 3.7 m-20 . . . . . 0 C--O 1.233 0.229 0 CA-C-O 120.509 0.195 . . . . 0.0 110.687 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' A' A ' 6' ' ' SER . . . . . 0.561 ' HA ' ' HA ' ' A' ' 46' ' ' GLU . 91.2 p -76.77 155.52 33.08 Favored 'General case' 0 C--O 1.237 0.406 0 N-CA-C 109.868 -0.419 . . . . 0.0 109.868 179.926 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 7' ' ' PHE . . . . . 0.519 ' HB2' HD11 ' A' ' 50' ' ' ILE . 33.1 t80 -61.56 -38.74 88.6 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.046 -179.779 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 33.1 p -58.13 -45.33 87.51 Favored 'General case' 0 C--O 1.236 0.366 0 CA-C-N 116.31 -0.405 . . . . 0.0 111.409 178.375 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -64.81 -51.63 61.12 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.002 -0.544 . . . . 0.0 111.094 -177.58 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 54.4 mt -68.34 -33.51 60.84 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 CA-C-N 115.953 -0.567 . . . . 0.0 110.84 -178.222 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 11' ' ' TYR . . . . . 0.532 ' OH ' ' HA ' ' A' ' 31' ' ' ALA . 89.6 t80 -62.51 -48.83 77.83 Favored 'General case' 0 C--O 1.22 -0.449 0 CA-C-N 116.508 -0.315 . . . . 0.0 110.992 179.142 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 62.3 tttm -64.44 -37.25 86.89 Favored 'General case' 0 C--N 1.332 -0.178 0 C-N-CA 120.554 -0.458 . . . . 0.0 110.548 -178.855 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 37.4 tt0 -59.62 -50.08 75.25 Favored 'General case' 0 C--N 1.323 -0.556 0 CA-C-O 121.627 0.727 . . . . 0.0 109.903 177.593 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 14' ' ' TRP . . . . . . . . . . . . . 68.0 t90 -65.13 -42.37 93.95 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-N 114.97 -1.014 . . . . 0.0 110.897 176.565 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 15' ' ' TYR . . . . . 0.422 ' CE1' ' HB2' ' A' ' 31' ' ' ALA . 45.1 t80 -60.4 -49.05 79.13 Favored 'General case' 0 C--O 1.223 -0.302 0 CA-C-N 116.027 -0.533 . . . . 0.0 111.468 179.473 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 2.4 tp10 -60.1 -39.24 85.5 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-O 121.068 0.461 . . . . 0.0 110.282 -177.259 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 17' ' ' HIS . . . . . . . . . . . . . 57.7 t60 -68.45 -47.72 66.43 Favored 'General case' 0 CA--C 1.535 0.396 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.438 177.084 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 29.7 mmtm -68.52 -14.96 63.36 Favored 'General case' 0 N--CA 1.466 0.326 0 CA-C-N 116.355 -0.384 . . . . 0.0 111.601 179.457 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 87.3 tttt -64.42 -21.36 66.62 Favored 'General case' 0 C--N 1.323 -0.569 0 CA-C-N 115.857 -0.611 . . . . 0.0 110.842 -179.027 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 72.8 mt-30 -92.49 -3.14 55.62 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 116.295 -0.411 . . . . 0.0 110.436 178.55 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 47.6 t -97.14 -47.98 12.53 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 CA-C-N 116.081 -0.509 . . . . 0.0 110.373 -178.351 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 22' ' ' TRP . . . . . . . . . . . . . 5.9 m0 -93.46 178.01 5.84 Favored 'General case' 0 C--N 1.323 -0.568 0 CA-C-N 115.968 -0.56 . . . . 0.0 110.079 179.418 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 24.2 p -81.61 142.95 32.31 Favored 'General case' 0 C--N 1.325 -0.482 0 N-CA-C 109.383 -0.599 . . . . 0.0 109.383 174.698 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 14.6 p -58.17 -34.35 49.32 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.293 0 N-CA-C 111.722 0.267 . . . . 0.0 111.722 -175.904 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -63.44 -50.32 63.2 Favored Glycine 0 N--CA 1.448 -0.532 0 C-N-CA 120.597 -0.811 . . . . 0.0 111.882 178.207 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 26' ' ' TYR . . . . . . . . . . . . . 83.0 t80 -70.0 -38.88 76.08 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-O 120.624 0.25 . . . . 0.0 110.502 -179.993 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -61.68 -39.67 92.23 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.274 -0.421 . . . . 0.0 111.091 -179.833 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 87.7 m -65.8 -42.82 90.24 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 116.657 -0.247 . . . . 0.0 110.603 178.581 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 50.5 mt-10 -64.98 -44.67 88.55 Favored 'General case' 0 C--N 1.332 -0.168 0 CA-C-O 120.802 0.334 . . . . 0.0 110.496 176.588 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 30' ' ' LEU . . . . . 0.687 HD11 ' HE ' ' A' ' 77' ' ' ARG . 9.9 tt -56.59 -48.55 77.17 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 115.674 -0.694 . . . . 0.0 109.999 177.742 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 31' ' ' ALA . . . . . 0.532 ' HA ' ' OH ' ' A' ' 11' ' ' TYR . . . -65.69 -37.34 86.18 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 116.002 -0.545 . . . . 0.0 110.989 179.399 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 66.5 tttm -66.64 -35.71 80.82 Favored 'General case' 0 CA--C 1.521 -0.159 0 CA-C-O 120.789 0.328 . . . . 0.0 110.473 179.754 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 33' ' ' MET . . . . . . . . . . . . . 54.7 ttp -59.93 -39.36 85.24 Favored 'General case' 0 C--N 1.325 -0.493 0 N-CA-C 109.532 -0.544 . . . . 0.0 109.532 176.802 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 34' ' ' PHE . . . . . 0.684 ' HA ' HD13 ' A' ' 38' ' ' ILE . 28.6 m-85 -75.34 -39.41 59.4 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 115.807 -0.633 . . . . 0.0 111.14 175.895 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 35' ' ' ASP . . . . . 0.696 ' O ' ' HB2' ' A' ' 39' ' ' LEU . 44.6 m-20 -54.86 -57.22 12.49 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-O 121.095 0.474 . . . . 0.0 110.339 175.945 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 11.7 t70 -70.98 -38.65 72.75 Favored 'General case' 0 C--N 1.321 -0.653 0 CA-C-N 115.439 -0.8 . . . . 0.0 112.687 -169.126 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 44.0 m-20 -108.62 -19.93 13.26 Favored 'General case' 0 C--N 1.329 -0.32 0 N-CA-C 113.13 0.789 . . . . 0.0 113.13 -173.793 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 38' ' ' ILE . . . . . 0.684 HD13 ' HA ' ' A' ' 34' ' ' PHE . 1.3 mp -96.41 -42.18 11.94 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.42 0 O-C-N 121.895 -0.503 . . . . 0.0 111.468 179.126 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 39' ' ' LEU . . . . . 0.696 ' HB2' ' O ' ' A' ' 35' ' ' ASP . 3.3 mm? -63.12 -46.6 86.35 Favored Pre-proline 0 CA--C 1.54 0.571 0 N-CA-C 113.105 0.78 . . . . 0.0 113.105 -173.843 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 40' ' ' PRO . . . . . 0.472 ' HD3' ' O ' ' A' ' 35' ' ' ASP . 17.8 Cg_exo -69.01 -7.49 20.99 Favored 'Trans proline' 0 C--N 1.354 0.857 0 C-N-CA 121.931 1.754 . . . . 0.0 112.529 177.959 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 41' ' ' ILE . . . . . 0.645 HG22 HG23 ' A' ' 42' ' ' ILE . 48.2 mm -102.34 -63.03 1.85 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.389 0 CA-C-N 116.49 -0.323 . . . . 0.0 110.66 179.606 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 42' ' ' ILE . . . . . 0.645 HG23 HG22 ' A' ' 41' ' ' ILE . 12.2 pt -127.58 13.05 3.34 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 N-CA-C 111.829 0.307 . . . . 0.0 111.829 -176.089 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 43' ' ' GLY . . . . . 0.529 ' HA3' HD13 ' A' ' 39' ' ' LEU . . . -54.64 -50.04 59.0 Favored Glycine 0 N--CA 1.452 -0.284 0 C-N-CA 121.27 -0.49 . . . . 0.0 113.558 -172.642 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -94.21 15.7 62.63 Favored Glycine 0 N--CA 1.449 -0.488 0 C-N-CA 120.608 -0.806 . . . . 0.0 112.81 -176.554 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 45' ' ' LEU . . . . . 0.419 HD12 HG22 ' A' ' 42' ' ' ILE . 93.7 mt -93.43 146.4 23.79 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 117.1 0.45 . . . . 0.0 110.191 179.731 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 46' ' ' GLU . . . . . 0.63 ' O ' HG13 ' A' ' 50' ' ' ILE . 35.2 mt-10 -68.35 136.46 53.41 Favored 'General case' 0 C--N 1.325 -0.481 0 N-CA-C 108.881 -0.785 . . . . 0.0 108.881 175.699 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 47' ' ' ILE . . . . . 0.42 HD13 ' HB2' ' A' ' 85' ' ' ALA . 15.1 tt -60.3 -23.22 27.18 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.701 0 CA-C-O 120.885 0.374 . . . . 0.0 111.696 -174.373 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 53.0 tt0 -94.96 -6.57 42.12 Favored 'General case' 0 CA--C 1.535 0.379 0 CA-C-O 121.24 0.543 . . . . 0.0 110.568 178.571 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 24.7 t70 -107.61 -11.68 15.4 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-O 121.18 0.514 . . . . 0.0 110.513 -177.515 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 50' ' ' ILE . . . . . 0.63 HG13 ' O ' ' A' ' 46' ' ' GLU . 85.9 mt -60.05 128.6 21.33 Favored 'Isoleucine or valine' 0 C--O 1.233 0.232 0 CA-C-N 115.588 -0.733 . . . . 0.0 111.432 -178.34 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 51' ' ' GLU . . . . . 0.421 ' HB2' ' CB ' ' A' ' 54' ' ' GLN . 4.0 mm-40 -72.24 130.03 86.79 Favored Pre-proline 0 C--N 1.323 -0.584 0 CA-C-N 115.265 -0.88 . . . . 0.0 109.97 178.969 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 52' ' ' PRO . . . . . . . . . . . . . 17.9 Cg_endo -60.17 -34.88 93.87 Favored 'Trans proline' 0 C--N 1.341 0.159 0 C-N-CA 122.475 2.117 . . . . 0.0 111.684 178.723 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 53' ' ' MET . . . . . . . . . . . . . 63.4 mtt -75.32 -22.66 57.49 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 115.814 -0.63 . . . . 0.0 110.37 179.39 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 54' ' ' GLN . . . . . 0.538 ' O ' ' HB3' ' A' ' 57' ' ' GLU . 39.9 tt0 -87.31 -25.07 24.09 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-O 121.248 0.546 . . . . 0.0 109.663 178.858 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 38.2 tp -66.35 -30.68 71.13 Favored 'General case' 0 C--N 1.324 -0.522 0 N-CA-C 108.4 -0.963 . . . . 0.0 108.4 169.256 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 3.0 tm? -68.92 -35.35 76.73 Favored 'General case' 0 C--O 1.224 -0.242 0 CA-C-N 115.416 -0.811 . . . . 0.0 109.414 173.022 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 57' ' ' GLU . . . . . 0.538 ' HB3' ' O ' ' A' ' 54' ' ' GLN . 8.7 tp10 -56.02 -35.63 67.05 Favored 'General case' 0 CA--C 1.535 0.383 0 CA-C-O 120.788 0.327 . . . . 0.0 110.196 175.206 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 58' ' ' VAL . . . . . 0.637 ' O ' ' HB3' ' A' ' 61' ' ' ARG . 72.1 t -64.26 -56.84 14.2 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.272 0 CA-C-O 121.394 0.616 . . . . 0.0 111.01 174.521 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 59' ' ' ILE . . . . . 0.564 HG23 ' HB1' ' A' ' 71' ' ' ALA . 1.7 mp -60.07 -39.86 81.62 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.652 0 CA-C-N 115.834 -0.621 . . . . 0.0 110.725 -179.022 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 51.5 ttp85 -73.22 -20.36 60.88 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-N 115.86 -0.609 . . . . 0.0 110.547 -179.796 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 61' ' ' ARG . . . . . 0.637 ' HB3' ' O ' ' A' ' 58' ' ' VAL . 24.3 tpt180 -62.95 -45.04 94.34 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 115.92 -0.582 . . . . 0.0 109.489 172.238 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 62' ' ' PHE . . . . . . . . . . . . . 98.6 m-85 -70.78 -31.9 68.84 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 115.747 -0.66 . . . . 0.0 110.639 175.565 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 36.1 tt0 -56.86 -40.05 75.43 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 115.803 -0.635 . . . . 0.0 111.056 178.819 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 22.5 t70 -56.5 -38.02 71.21 Favored 'General case' 0 N--CA 1.464 0.235 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.124 -179.937 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 67.2 mtm-85 -92.7 7.36 43.86 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.919 -177.692 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 72.85 15.71 78.16 Favored Glycine 0 N--CA 1.45 -0.419 0 C-N-CA 121.017 -0.611 . . . . 0.0 112.787 177.677 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 67' ' ' ALA . . . . . 0.595 ' HB1' ' HB2' ' A' ' 70' ' ' ARG . . . -84.13 79.19 9.6 Favored 'General case' 0 C--N 1.322 -0.604 0 CA-C-O 120.988 0.423 . . . . 0.0 110.334 -179.234 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 68' ' ' MET . . . . . 0.437 ' HA ' ' CE ' ' A' ' 68' ' ' MET . 14.5 mmt -70.08 -48.35 58.11 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-N 115.971 -0.558 . . . . 0.0 110.928 -176.016 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 42.3 mt-10 -63.41 -43.27 98.01 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 116.543 -0.299 . . . . 0.0 110.846 179.162 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 70' ' ' ARG . . . . . 0.595 ' HB2' ' HB1' ' A' ' 67' ' ' ALA . 58.4 mtt-85 -65.91 -36.68 84.07 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.593 -0.276 . . . . 0.0 111.074 179.448 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 71' ' ' ALA . . . . . 0.564 ' HB1' HG23 ' A' ' 59' ' ' ILE . . . -61.27 -47.95 83.65 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 121.138 0.494 . . . . 0.0 110.777 178.08 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 72' ' ' ASN . . . . . . . . . . . . . 58.2 m-80 -72.1 -30.69 65.33 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.862 179.576 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 28.3 ttpt -69.84 -33.1 71.84 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.315 -0.402 . . . . 0.0 109.977 176.614 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -62.13 -49.23 76.7 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.034 -0.53 . . . . 0.0 109.735 173.105 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 75' ' ' ARG . . . . . 0.403 ' HG3' ' CD1' ' A' ' 99' ' ' LEU . 6.5 ttm180 -56.38 -49.84 73.29 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-N 115.611 -0.722 . . . . 0.0 110.839 178.76 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 47.1 ttm-85 -58.76 -46.47 87.39 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 115.849 -0.614 . . . . 0.0 111.012 -176.708 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 77' ' ' ARG . . . . . 0.687 ' HE ' HD11 ' A' ' 30' ' ' LEU . 46.5 mtt85 -72.65 -37.87 67.86 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 116.054 -0.521 . . . . 0.0 111.628 -177.792 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 78' ' ' CYS . . . . . . . . . . . . . 82.6 m -60.44 -44.6 95.65 Favored 'General case' 0 C--N 1.327 -0.41 0 N-CA-C 109.328 -0.619 . . . . 0.0 109.328 173.376 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . -58.5 -35.48 80.22 Favored Glycine 0 N--CA 1.447 -0.591 0 CA-C-N 115.798 -0.637 . . . . 0.0 112.444 176.925 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 41.4 tt0 -69.12 -37.5 78.38 Favored 'General case' 0 C--N 1.332 -0.174 0 N-CA-C 109.993 -0.373 . . . . 0.0 109.993 177.886 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 81' ' ' VAL . . . . . 0.49 HG23 ' O ' ' A' ' 77' ' ' ARG . 68.8 t -64.23 -44.35 97.41 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.176 -0.465 . . . . 0.0 109.968 175.159 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 82' ' ' PHE . . . . . 0.485 ' HB3' ' HB3' ' A' ' 94' ' ' ASN . 45.9 m-85 -58.43 -46.48 86.41 Favored 'General case' 0 N--CA 1.462 0.143 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.366 174.334 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 83' ' ' ARG . . . . . 0.519 ' O ' HG23 ' A' ' 87' ' ' VAL . 37.3 ttt180 -56.19 -50.11 72.14 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 115.802 -0.636 . . . . 0.0 110.474 177.28 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 84' ' ' TYR . . . . . . . . . . . . . 53.1 t80 -61.16 -37.41 82.78 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 115.825 -0.625 . . . . 0.0 110.709 -179.393 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 85' ' ' ALA . . . . . 0.473 ' HA ' HG22 ' A' ' 88' ' ' THR . . . -65.16 -36.35 83.94 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.294 -0.412 . . . . 0.0 111.06 177.708 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 86' ' ' ILE . . . . . 0.477 HG13 ' O ' ' A' ' 82' ' ' PHE . 76.4 mt -68.71 -34.87 67.17 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 CA-C-O 121.018 0.437 . . . . 0.0 110.155 177.131 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 87' ' ' VAL . . . . . 0.519 HG23 ' O ' ' A' ' 83' ' ' ARG . 76.4 t -68.19 -44.64 84.03 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.399 0 CA-C-N 116.065 -0.516 . . . . 0.0 110.925 178.403 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 88' ' ' THR . . . . . 0.484 HG23 ' HG3' ' A' ' 90' ' ' ARG . 9.8 t -78.98 -11.68 60.01 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.819 0.342 . . . . 0.0 111.139 -179.97 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . 88.8 19.33 51.91 Favored Glycine 0 N--CA 1.451 -0.36 0 C-N-CA 120.758 -0.734 . . . . 0.0 113.77 174.157 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 90' ' ' ARG . . . . . 0.484 ' HG3' HG23 ' A' ' 88' ' ' THR . 74.3 mtt180 -88.91 -18.17 28.07 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-N 117.152 0.476 . . . . 0.0 110.287 178.813 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . -137.61 158.07 45.17 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 115.862 -0.608 . . . . 0.0 109.829 177.497 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 88.1 tttt -106.18 -50.17 3.21 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-O 121.036 0.445 . . . . 0.0 110.504 -179.987 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 93' ' ' TYR . . . . . . . . . . . . . 0.0 OUTLIER -127.2 143.18 51.31 Favored 'General case' 0 C--N 1.323 -0.568 0 CA-C-N 115.905 -0.589 . . . . 0.0 109.93 -178.961 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 94' ' ' ASN . . . . . 0.485 ' HB3' ' HB3' ' A' ' 82' ' ' PHE . 17.6 p-10 -102.22 125.11 37.46 Favored Pre-proline 0 C--N 1.323 -0.57 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.159 179.516 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 95' ' ' PRO . . . . . . . . . . . . . 57.9 Cg_endo -71.9 36.02 0.31 Allowed 'Trans proline' 0 CA--C 1.532 0.394 0 C-N-CA 123.128 2.552 . . . . 0.0 113.085 -178.946 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 96' ' ' ALA . . . . . 0.535 ' N ' ' HD2' ' A' ' 97' ' ' PRO . . . -70.56 -48.1 17.31 Favored Pre-proline 0 CA--C 1.537 0.463 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.576 179.961 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 97' ' ' PRO . . . . . 0.535 ' HD2' ' N ' ' A' ' 96' ' ' ALA . 19.5 Cg_endo -60.03 -38.93 74.61 Favored 'Trans proline' 0 C--N 1.357 1.014 0 C-N-CA 121.779 1.652 . . . . 0.0 111.637 174.903 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 6.6 m-20 -66.42 -37.8 86.0 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 115.756 -0.657 . . . . 0.0 110.474 177.64 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 99' ' ' LEU . . . . . 0.409 HD13 ' C ' ' A' ' 99' ' ' LEU . 2.6 tm? -58.83 -50.06 75.37 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.011 -0.54 . . . . 0.0 110.024 175.823 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 100' ' ' ALA . . . . . 0.464 ' O ' ' HG3' ' A' ' 104' ' ' LYS . . . -62.18 -44.66 96.09 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.077 -0.511 . . . . 0.0 110.815 -179.315 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 38.3 t70 -65.25 -40.78 94.45 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.033 -0.53 . . . . 0.0 111.036 -179.235 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -64.93 -42.76 94.4 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 115.946 -0.57 . . . . 0.0 110.456 177.939 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 103' ' ' MET . . . . . . . . . . . . . 44.0 ttm -53.23 -38.26 62.79 Favored 'General case' 0 C--N 1.331 -0.2 0 CA-C-O 121.108 0.48 . . . . 0.0 110.65 177.579 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 104' ' ' LYS . . . . . 0.464 ' HG3' ' O ' ' A' ' 100' ' ' ALA . 84.6 mttt . . . . . 0 C--N 1.322 -0.623 0 CA-C-N 115.851 -0.613 . . . . 0.0 111.026 179.576 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 17.1 m . . . . . 0 N--CA 1.478 0.931 0 CA-C-O 120.772 0.32 . . . . 0.0 110.256 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 9.4 p -75.91 -52.95 9.21 Favored 'General case' 0 C--N 1.322 -0.615 0 CA-C-N 116.118 -0.492 . . . . 0.0 111.243 -176.738 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 3' ' ' ASN . . . . . . . . . . . . . 92.0 m-20 -122.62 -174.87 3.02 Favored 'General case' 0 C--N 1.323 -0.553 0 CA-C-N 115.815 -0.63 . . . . 0.0 110.567 -175.65 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 4' ' ' ASN . . . . . . . . . . . . . 28.6 t-20 -77.47 -15.43 59.31 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-O 121.504 0.669 . . . . 0.0 109.687 175.637 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 7.0 m-20 -89.23 7.78 33.62 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 115.512 -0.767 . . . . 0.0 111.393 177.952 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . 0.583 ' HA ' ' HA ' ' A' ' 46' ' ' GLU . 73.4 m -69.21 143.91 53.86 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 120.579 0.228 . . . . 0.0 110.49 177.732 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 7' ' ' PHE . . . . . . . . . . . . . 25.0 t80 -58.44 -48.3 81.17 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.014 -0.539 . . . . 0.0 111.453 -173.26 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 53.9 m -54.38 -40.59 68.32 Favored 'General case' 0 N--CA 1.465 0.275 0 N-CA-C 111.905 0.335 . . . . 0.0 111.905 179.887 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -62.53 -50.66 70.46 Favored 'General case' 0 C--O 1.236 0.346 0 CA-C-O 121.078 0.466 . . . . 0.0 110.784 -178.586 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 41.0 mt -68.49 -36.91 76.77 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.441 0 CA-C-N 115.752 -0.658 . . . . 0.0 110.286 -179.428 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 88.5 t80 -60.05 -42.29 94.14 Favored 'General case' 0 C--O 1.221 -0.429 0 CA-C-N 115.689 -0.687 . . . . 0.0 110.467 178.103 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 83.4 tttt -62.6 -43.65 98.27 Favored 'General case' 0 C--N 1.328 -0.327 0 C-N-CA 121.233 -0.187 . . . . 0.0 110.937 -179.826 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 95.7 mt-10 -60.29 -48.25 82.54 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-O 121.307 0.575 . . . . 0.0 110.42 178.419 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 14' ' ' TRP . . . . . 0.445 ' CH2' ' HH2' ' A' ' 22' ' ' TRP . 63.2 t90 -64.24 -42.51 96.49 Favored 'General case' 0 C--N 1.323 -0.571 0 CA-C-N 115.524 -0.762 . . . . 0.0 110.763 178.029 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 15' ' ' TYR . . . . . . . . . . . . . 16.9 t80 -60.02 -51.77 68.23 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 115.918 -0.583 . . . . 0.0 111.564 179.769 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 16' ' ' GLU . . . . . 0.433 ' HA ' ' HE2' ' A' ' 19' ' ' LYS . 28.6 mt-10 -68.23 -22.76 64.76 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-O 120.893 0.378 . . . . 0.0 111.181 -177.844 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 17' ' ' HIS . . . . . . . . . . . . . 30.3 t-80 -73.57 -48.38 33.32 Favored 'General case' 0 C--N 1.323 -0.544 0 N-CA-C 109.233 -0.655 . . . . 0.0 109.233 175.148 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 40.8 mmtm -70.85 -18.04 62.72 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 115.661 -0.7 . . . . 0.0 111.379 179.087 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 19' ' ' LYS . . . . . 0.433 ' HE2' ' HA ' ' A' ' 16' ' ' GLU . 36.4 ttpt -62.14 -21.68 65.24 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-O 121.184 0.516 . . . . 0.0 110.825 178.756 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 81.8 mt-30 -90.26 1.86 56.05 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.659 178.985 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 61.1 t -110.81 -49.49 6.5 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 CA-C-N 116.013 -0.54 . . . . 0.0 110.22 179.048 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 22' ' ' TRP . . . . . 0.445 ' HH2' ' CH2' ' A' ' 14' ' ' TRP . 14.4 m0 -81.27 171.5 14.75 Favored 'General case' 0 C--N 1.323 -0.551 0 CA-C-N 115.788 -0.642 . . . . 0.0 110.718 179.742 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 24.4 m -73.65 142.56 46.47 Favored 'General case' 0 C--N 1.322 -0.605 0 CA-C-N 115.872 -0.604 . . . . 0.0 109.611 172.873 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 13.9 p -55.18 -44.52 75.16 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.433 0 N-CA-C 111.901 0.334 . . . . 0.0 111.901 -175.924 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -65.75 -39.51 95.27 Favored Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.683 -0.77 . . . . 0.0 111.737 -179.532 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 26' ' ' TYR . . . . . . . . . . . . . 94.5 t80 -65.37 -47.28 76.95 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 115.505 -0.347 . . . . 0.0 110.344 177.422 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -59.96 -47.01 87.54 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.099 -0.501 . . . . 0.0 111.426 -178.175 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 49.3 m -56.74 -51.24 69.61 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 116.513 -0.312 . . . . 0.0 111.616 -179.972 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 37.7 mt-10 -78.05 -22.71 48.72 Favored 'General case' 0 C--N 1.327 -0.382 0 C-N-CA 120.848 -0.341 . . . . 0.0 111.58 -176.25 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 5.8 tt -62.79 -46.92 85.76 Favored 'General case' 0 C--N 1.331 -0.235 0 N-CA-C 109.52 -0.548 . . . . 0.0 109.52 172.214 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -65.93 -40.6 91.56 Favored 'General case' 0 N--CA 1.448 -0.543 0 CA-C-N 115.671 -0.695 . . . . 0.0 110.014 176.37 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 87.4 tttt -57.59 -46.36 84.12 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.173 -0.467 . . . . 0.0 112.123 -178.37 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 33' ' ' MET . . . . . . . . . . . . . 4.9 ppp? -72.64 -32.04 65.57 Favored 'General case' 0 N--CA 1.465 0.304 0 CA-C-O 120.811 0.339 . . . . 0.0 110.851 179.95 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 34' ' ' PHE . . . . . 0.72 ' HD2' HH21 ' A' ' 77' ' ' ARG . 36.5 t80 -66.75 -49.89 64.49 Favored 'General case' 0 C--N 1.328 -0.37 0 N-CA-C 109.175 -0.676 . . . . 0.0 109.175 175.605 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 35' ' ' ASP . . . . . 0.765 ' HA ' HD23 ' A' ' 39' ' ' LEU . 9.3 m-20 -58.79 -42.58 89.36 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.343 -0.389 . . . . 0.0 110.951 177.296 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 23.4 t70 -61.8 -40.92 96.92 Favored 'General case' 0 C--N 1.324 -0.521 0 N-CA-C 111.985 0.365 . . . . 0.0 111.985 -174.118 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 37' ' ' ASP . . . . . 0.517 ' HB3' ' HG2' ' A' ' 61' ' ' ARG . 41.5 m-20 -101.37 -39.91 7.35 Favored 'General case' 0 C--N 1.327 -0.402 0 N-CA-C 112.473 0.546 . . . . 0.0 112.473 -175.934 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 38' ' ' ILE . . . . . 0.563 ' HB ' ' O ' ' A' ' 34' ' ' PHE . 2.0 mp -74.48 -41.99 49.37 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.365 0 N-CA-C 111.861 0.319 . . . . 0.0 111.861 -175.88 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 39' ' ' LEU . . . . . 0.765 HD23 ' HA ' ' A' ' 35' ' ' ASP . 1.3 mm? -56.54 -49.08 95.63 Favored Pre-proline 0 N--CA 1.467 0.413 0 N-CA-C 112.771 0.656 . . . . 0.0 112.771 -175.02 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 48.2 Cg_exo -58.69 -19.0 43.69 Favored 'Trans proline' 0 C--N 1.353 0.792 0 C-N-CA 122.1 1.867 . . . . 0.0 112.825 176.261 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 41' ' ' ILE . . . . . 0.685 HG22 HG23 ' A' ' 42' ' ' ILE . 41.1 mm -98.75 -60.49 2.72 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 N-CA-C 111.672 0.249 . . . . 0.0 111.672 -176.61 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 42' ' ' ILE . . . . . 0.685 HG23 HG22 ' A' ' 41' ' ' ILE . 4.6 pt -135.58 7.49 1.0 Allowed 'Isoleucine or valine' 0 N--CA 1.467 0.385 0 N-CA-C 113.101 0.778 . . . . 0.0 113.101 -173.291 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 43' ' ' GLY . . . . . 0.59 ' HA3' ' HA ' ' A' ' 39' ' ' LEU . . . -57.86 -49.85 70.93 Favored Glycine 0 CA--C 1.516 0.141 0 C-N-CA 120.356 -0.926 . . . . 0.0 113.412 -172.299 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -85.48 5.97 81.66 Favored Glycine 0 N--CA 1.445 -0.707 0 C-N-CA 120.613 -0.803 . . . . 0.0 112.807 -175.9 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 86.9 mt -87.1 165.52 15.7 Favored 'General case' 0 N--CA 1.45 -0.443 0 CA-C-O 120.869 0.366 . . . . 0.0 110.267 179.804 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 46' ' ' GLU . . . . . 0.597 ' O ' HG13 ' A' ' 50' ' ' ILE . 44.7 mt-10 -83.34 137.6 33.89 Favored 'General case' 0 C--N 1.32 -0.677 0 N-CA-C 109.632 -0.507 . . . . 0.0 109.632 175.43 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 47' ' ' ILE . . . . . 0.431 HD13 ' HB2' ' A' ' 85' ' ' ALA . 15.1 tt -61.49 -23.49 30.82 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.534 0 CA-C-O 121.107 0.48 . . . . 0.0 111.302 -174.461 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 42.9 tt0 -91.45 -12.73 33.83 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.5 179.204 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 49' ' ' ASP . . . . . 0.449 ' HB2' ' HB2' ' A' ' 46' ' ' GLU . 0.5 OUTLIER -114.95 18.62 16.31 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 115.882 -0.599 . . . . 0.0 110.661 -170.735 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 50' ' ' ILE . . . . . 0.597 HG13 ' O ' ' A' ' 46' ' ' GLU . 85.0 mt -85.38 130.45 36.21 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 CA-C-N 115.946 -0.57 . . . . 0.0 110.703 179.874 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 40.4 mt-10 -74.52 142.75 78.16 Favored Pre-proline 0 C--N 1.325 -0.465 0 CA-C-N 115.967 -0.56 . . . . 0.0 110.574 -179.742 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 52' ' ' PRO . . . . . 0.71 ' HB3' ' HB3' ' A' ' 98' ' ' ASP . 9.3 Cg_endo -53.96 -41.86 71.58 Favored 'Trans proline' 0 C--N 1.345 0.356 0 C-N-CA 123.007 2.471 . . . . 0.0 112.471 179.164 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 53' ' ' MET . . . . . . . . . . . . . 64.0 mtt -72.47 -23.96 61.12 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.36 -0.382 . . . . 0.0 111.271 -178.354 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 59.9 mt-30 -74.25 -38.75 63.38 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 120.856 0.36 . . . . 0.0 110.832 178.875 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 55' ' ' LEU . . . . . 0.555 HD23 ' HB2' ' A' ' 99' ' ' LEU . 22.7 tp -65.89 -35.73 81.44 Favored 'General case' 0 C--N 1.322 -0.604 0 N-CA-C 109.096 -0.705 . . . . 0.0 109.096 175.6 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 2.6 tm? -70.06 -30.15 67.34 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 115.534 -0.757 . . . . 0.0 109.934 175.912 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 57' ' ' GLU . . . . . 0.421 ' HA ' ' HB2' ' A' ' 60' ' ' ARG . 34.9 tt0 -67.24 -31.45 71.82 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-O 120.793 0.33 . . . . 0.0 110.196 177.931 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 58' ' ' VAL . . . . . 0.464 ' O ' ' HB3' ' A' ' 61' ' ' ARG . 97.6 t -63.67 -49.72 81.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-O 121.409 0.623 . . . . 0.0 109.985 173.006 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 59' ' ' ILE . . . . . . . . . . . . . 1.8 mp -61.22 -39.17 81.63 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.408 0 CA-C-N 115.648 -0.706 . . . . 0.0 110.015 176.112 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 60' ' ' ARG . . . . . 0.421 ' HB2' ' HA ' ' A' ' 57' ' ' GLU . 0.1 OUTLIER -56.82 -45.98 81.95 Favored 'General case' 0 C--O 1.231 0.129 0 CA-C-N 115.968 -0.56 . . . . 0.0 110.107 176.562 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 61' ' ' ARG . . . . . 0.517 ' HG2' ' HB3' ' A' ' 37' ' ' ASP . 10.3 tpt180 -51.55 -49.2 62.47 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 114.625 -1.171 . . . . 0.0 111.419 179.472 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 62' ' ' PHE . . . . . . . . . . . . . 87.7 m-85 -78.01 -43.66 28.83 Favored 'General case' 0 C--N 1.328 -0.367 0 N-CA-C 112.039 0.385 . . . . 0.0 112.039 -178.735 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 63' ' ' GLU . . . . . 0.516 ' HG3' ' CE ' ' A' ' 68' ' ' MET . 47.9 tt0 -62.19 -40.19 95.23 Favored 'General case' 0 N--CA 1.463 0.215 0 N-CA-C 111.692 0.256 . . . . 0.0 111.692 -174.816 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 35.5 t70 -65.05 -23.66 67.25 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.797 0.332 . . . . 0.0 111.165 -176.301 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 65' ' ' ARG . . . . . 0.402 HH11 ' HD3' ' A' ' 65' ' ' ARG . 44.1 mtm-85 -84.96 -9.1 58.41 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.742 0.306 . . . . 0.0 110.525 177.589 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 99.33 -4.39 58.46 Favored Glycine 0 N--CA 1.448 -0.544 0 C-N-CA 120.651 -0.785 . . . . 0.0 111.882 179.429 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 67' ' ' ALA . . . . . 0.544 ' HB1' ' HB2' ' A' ' 70' ' ' ARG . . . -78.55 81.51 4.87 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-O 121.141 0.496 . . . . 0.0 110.406 -179.487 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 68' ' ' MET . . . . . 0.567 ' HA ' ' CE ' ' A' ' 68' ' ' MET . 0.1 OUTLIER -70.71 -46.18 63.56 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-N 115.857 -0.611 . . . . 0.0 110.593 -176.024 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 38.2 mt-10 -62.7 -41.23 99.02 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 115.836 -0.62 . . . . 0.0 110.215 179.537 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 70' ' ' ARG . . . . . 0.544 ' HB2' ' HB1' ' A' ' 67' ' ' ALA . 90.0 mtt180 -72.83 -33.47 66.19 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 115.867 -0.606 . . . . 0.0 111.17 -177.496 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -63.58 -45.75 89.01 Favored 'General case' 0 C--O 1.233 0.226 0 CA-C-O 121.17 0.51 . . . . 0.0 110.111 175.173 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 72' ' ' ASN . . . . . 0.43 ' O ' ' HG3' ' A' ' 76' ' ' ARG . 31.9 m-80 -68.22 -33.43 74.39 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 115.656 -0.702 . . . . 0.0 110.367 176.935 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 3.3 tppp? -68.75 -33.67 74.3 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.159 -0.473 . . . . 0.0 109.995 179.317 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -61.6 -54.54 41.63 Favored 'General case' 0 N--CA 1.452 -0.342 0 N-CA-C 109.537 -0.542 . . . . 0.0 109.537 174.296 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 40.3 ttt180 -53.41 -43.81 68.24 Favored 'General case' 0 CA--C 1.532 0.255 0 CA-C-N 116.055 -0.52 . . . . 0.0 110.8 176.214 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 76' ' ' ARG . . . . . 0.43 ' HG3' ' O ' ' A' ' 72' ' ' ASN . 89.8 mtt-85 -56.07 -57.87 10.32 Favored 'General case' 0 CA--C 1.521 -0.167 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.376 178.268 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 77' ' ' ARG . . . . . 0.72 HH21 ' HD2' ' A' ' 34' ' ' PHE . 20.9 mtm180 -70.48 -33.3 71.09 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 116.286 -0.415 . . . . 0.0 111.373 -173.527 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 78' ' ' CYS . . . . . . . . . . . . . 90.0 m -61.42 -50.15 74.0 Favored 'General case' 0 C--N 1.326 -0.449 0 N-CA-C 110.022 -0.362 . . . . 0.0 110.022 174.903 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . -61.71 -33.77 86.27 Favored Glycine 0 C--N 1.332 0.35 0 C-N-CA 121.015 -0.612 . . . . 0.0 111.853 176.606 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 40.0 tp10 -63.17 -41.54 99.25 Favored 'General case' 0 C--N 1.324 -0.512 0 C-N-CA 122.755 0.422 . . . . 0.0 110.768 175.647 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 81' ' ' VAL . . . . . 0.522 HG23 ' O ' ' A' ' 77' ' ' ARG . 93.4 t -70.67 -39.84 76.29 Favored 'Isoleucine or valine' 0 CA--C 1.53 0.202 0 CA-C-N 116.538 -0.301 . . . . 0.0 110.423 176.456 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 82' ' ' PHE . . . . . 0.4 ' O ' HG13 ' A' ' 86' ' ' ILE . 37.6 m-85 -56.23 -44.13 79.3 Favored 'General case' 0 N--CA 1.462 0.13 0 CA-C-O 120.973 0.416 . . . . 0.0 110.229 174.384 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 83' ' ' ARG . . . . . 0.476 ' O ' HG23 ' A' ' 87' ' ' VAL . 9.6 tpt180 -59.78 -44.24 93.99 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 115.839 -0.619 . . . . 0.0 110.394 177.299 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 84' ' ' TYR . . . . . . . . . . . . . 12.9 t80 -62.19 -38.33 88.71 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 115.675 -0.693 . . . . 0.0 110.368 -178.622 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 85' ' ' ALA . . . . . 0.495 ' HA ' HG22 ' A' ' 88' ' ' THR . . . -67.85 -32.52 73.11 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.016 -0.538 . . . . 0.0 111.478 179.476 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 86' ' ' ILE . . . . . 0.4 HG13 ' O ' ' A' ' 82' ' ' PHE . 76.2 mt -71.77 -35.38 55.02 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.411 0 CA-C-O 120.998 0.428 . . . . 0.0 110.367 177.575 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 87' ' ' VAL . . . . . 0.476 HG23 ' O ' ' A' ' 83' ' ' ARG . 93.0 t -70.78 -40.5 76.83 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.38 0 CA-C-N 115.963 -0.562 . . . . 0.0 111.15 179.683 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 88' ' ' THR . . . . . 0.495 HG22 ' HA ' ' A' ' 85' ' ' ALA . 12.8 t -79.14 -7.77 58.46 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-N 116.502 -0.317 . . . . 0.0 110.924 -179.45 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . 78.7 40.8 16.92 Favored Glycine 0 N--CA 1.452 -0.286 0 C-N-CA 120.829 -0.7 . . . . 0.0 113.091 177.3 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 90' ' ' ARG . . . . . 0.453 HH11 ' HD2' ' A' ' 90' ' ' ARG . 57.8 mtt180 -103.37 -38.1 7.35 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-O 121.136 0.493 . . . . 0.0 110.322 176.028 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . -125.83 136.91 53.63 Favored 'General case' 0 C--N 1.323 -0.578 0 CA-C-N 115.76 -0.655 . . . . 0.0 110.173 -179.981 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 57.6 tttm -94.92 -35.67 11.92 Favored 'General case' 0 C--N 1.323 -0.582 0 N-CA-C 109.212 -0.662 . . . . 0.0 109.212 177.075 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 93' ' ' TYR . . . . . . . . . . . . . 80.2 t80 -125.21 136.73 53.86 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 115.226 -0.897 . . . . 0.0 110.064 178.315 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 94' ' ' ASN . . . . . . . . . . . . . 26.6 p-10 -118.9 137.2 24.77 Favored Pre-proline 0 C--N 1.32 -0.674 0 CA-C-N 115.818 -0.628 . . . . 0.0 110.034 177.873 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 95' ' ' PRO . . . . . . . . . . . . . 60.3 Cg_endo -75.6 32.73 0.38 Allowed 'Trans proline' 0 CA--C 1.532 0.383 0 C-N-CA 122.867 2.378 . . . . 0.0 113.089 -178.468 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 96' ' ' ALA . . . . . 0.54 ' N ' ' HD2' ' A' ' 97' ' ' PRO . . . -65.4 -46.25 70.1 Favored Pre-proline 0 CA--C 1.539 0.549 0 CA-C-N 116.381 -0.372 . . . . 0.0 111.511 178.014 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 97' ' ' PRO . . . . . 0.54 ' HD2' ' N ' ' A' ' 96' ' ' ALA . 20.5 Cg_endo -62.35 -33.5 79.91 Favored 'Trans proline' 0 C--N 1.356 0.952 0 C-N-CA 121.941 1.761 . . . . 0.0 112.092 173.093 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 98' ' ' ASP . . . . . 0.71 ' HB3' ' HB3' ' A' ' 52' ' ' PRO . 44.3 m-20 -66.56 -33.2 75.14 Favored 'General case' 0 C--N 1.332 -0.182 0 CA-C-N 116.076 -0.511 . . . . 0.0 110.398 179.688 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 99' ' ' LEU . . . . . 0.555 ' HB2' HD23 ' A' ' 55' ' ' LEU . 3.2 tm? -56.07 -46.41 78.99 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 115.774 -0.648 . . . . 0.0 109.849 175.041 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 100' ' ' ALA . . . . . . . . . . . . . . . -65.17 -40.75 94.71 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 115.902 -0.59 . . . . 0.0 110.657 -179.652 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 23.6 t70 -66.72 -40.35 88.37 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 116.052 -0.522 . . . . 0.0 110.858 -179.712 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -67.08 -41.78 85.78 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.972 179.036 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 103' ' ' MET . . . . . . . . . . . . . 51.3 ttm -65.09 -37.22 86.81 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-O 121.104 0.478 . . . . 0.0 110.35 178.748 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 104' ' ' LYS . . . . . 0.479 ' HE2' ' HB3' ' A' ' 104' ' ' LYS . 25.7 ttpt -69.9 -45.77 66.86 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-N 115.543 -0.753 . . . . 0.0 111.2 177.783 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 105' ' ' GLY . . . . . . . . . . . . . . . -76.39 -13.13 83.68 Favored Glycine 0 N--CA 1.451 -0.358 0 CA-C-N 115.679 -0.691 . . . . 0.0 112.891 -176.699 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 106' ' ' TYR . . . . . . . . . . . . . 88.0 t80 -64.61 -21.55 66.74 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.877 0.37 . . . . 0.0 110.933 -179.611 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 107' ' ' ARG . . . . . . . . . . . . . 50.4 mtm180 -71.65 -0.55 11.09 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-O 120.814 0.34 . . . . 0.0 111.468 178.975 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 108' ' ' LYS . . . . . . . . . . . . . 63.4 mttp -92.68 -8.27 44.44 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-O 120.947 0.403 . . . . 0.0 110.316 174.204 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 109' ' ' LYS . . . . . . . . . . . . . 88.0 tttt -100.96 -50.76 3.73 Favored 'General case' 0 C--N 1.329 -0.311 0 N-CA-C 109.137 -0.69 . . . . 0.0 109.137 172.865 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 110' ' ' ASN . . . . . . . . . . . . . 6.0 m-20 -83.62 88.79 7.05 Favored 'General case' 0 C--N 1.326 -0.428 0 N-CA-C 109.134 -0.691 . . . . 0.0 109.134 172.853 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 111' ' ' LEU . . . . . . . . . . . . . 74.9 mt -70.42 164.88 23.68 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-N 115.447 -0.797 . . . . 0.0 112.388 -172.35 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 112' ' ' GLU . . . . . . . . . . . . . 28.1 mt-10 -89.43 -173.15 3.88 Favored 'General case' 0 C--N 1.322 -0.593 0 CA-C-N 114.99 -1.004 . . . . 0.0 109.476 177.56 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 113' ' ' HIS . . . . . . . . . . . . . 80.1 m80 -104.85 -22.34 13.19 Favored 'General case' 0 C--N 1.322 -0.613 0 CA-C-O 121.643 0.735 . . . . 0.0 109.436 176.131 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 114' ' ' HIS . . . . . . . . . . . . . 22.8 m80 -141.02 147.22 38.33 Favored 'General case' 0 C--N 1.323 -0.552 0 CA-C-N 114.723 -1.126 . . . . 0.0 108.272 170.206 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 115' ' ' HIS . . . . . . . . . . . . . 14.1 m-70 -105.62 175.95 5.33 Favored 'General case' 0 C--N 1.318 -0.786 0 CA-C-O 121.441 0.639 . . . . 0.0 111.51 -176.012 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 116' ' ' HIS . . . . . . . . . . . . . 17.5 m-70 -96.62 -2.66 44.34 Favored 'General case' 0 C--N 1.322 -0.603 0 CA-C-N 115.226 -0.897 . . . . 0.0 109.718 -175.832 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 117' ' ' HIS . . . . . . . . . . . . . 56.5 m170 -121.67 169.72 10.44 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 115.513 -0.767 . . . . 0.0 109.678 178.102 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 118' ' ' HIS . . . . . . . . . . . . . 36.4 m-70 . . . . . 0 C--O 1.25 1.115 0 CA-C-O 118.733 -0.651 . . . . 0.0 110.199 177.774 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 1' ' ' SER . . . . . 0.536 ' HB3' ' OD1' ' A' ' 3' ' ' ASN . 20.6 m . . . . . 0 N--CA 1.476 0.835 0 CA-C-O 120.812 0.339 . . . . 0.0 111.186 . . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 20.3 m -100.49 -35.69 9.46 Favored 'General case' 0 C--N 1.324 -0.511 0 N-CA-C 109.433 -0.58 . . . . 0.0 109.433 173.027 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 3' ' ' ASN . . . . . 0.536 ' OD1' ' HB3' ' A' ' 1' ' ' SER . 4.3 m-20 63.67 26.74 14.65 Favored 'General case' 0 N--CA 1.469 0.476 0 CA-C-N 115.458 -0.792 . . . . 0.0 111.584 174.674 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 4' ' ' ASN . . . . . . . . . . . . . 34.7 p30 -83.53 9.1 12.12 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-O 120.812 0.339 . . . . 0.0 111.162 -178.978 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -96.36 -4.19 42.41 Favored 'General case' 0 C--N 1.329 -0.29 0 N-CA-C 109.533 -0.543 . . . . 0.0 109.533 175.033 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . 0.572 ' HA ' ' HA ' ' A' ' 46' ' ' GLU . 5.7 m -75.64 143.41 42.26 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 115.641 -0.709 . . . . 0.0 110.427 -179.187 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 7' ' ' PHE . . . . . . . . . . . . . 42.6 t80 -63.43 -43.2 98.14 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.601 -0.272 . . . . 0.0 110.612 -177.041 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 9.7 p -53.53 -47.67 69.75 Favored 'General case' 0 C--O 1.237 0.426 0 CA-C-O 120.851 0.358 . . . . 0.0 111.527 178.145 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -63.95 -49.55 72.11 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 115.913 -0.585 . . . . 0.0 111.456 -178.186 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 10' ' ' ILE . . . . . 0.523 HG21 ' HB2' ' A' ' 85' ' ' ALA . 69.2 mt -66.07 -40.25 86.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.764 -178.2 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 9.5 t80 -58.74 -48.66 80.41 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.139 177.483 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 20.6 tptm -61.84 -39.26 91.19 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 120.628 0.251 . . . . 0.0 110.704 -178.003 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 13' ' ' GLU . . . . . 0.545 ' HG2' ' CD2' ' A' ' 17' ' ' HIS . 28.2 tt0 -67.91 -50.05 58.42 Favored 'General case' 0 C--N 1.326 -0.416 0 N-CA-C 109.997 -0.371 . . . . 0.0 109.997 178.689 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 14' ' ' TRP . . . . . . . . . . . . . 51.3 t90 -51.84 -47.61 64.3 Favored 'General case' 0 C--O 1.235 0.312 0 CA-C-N 115.811 -0.631 . . . . 0.0 110.816 178.085 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 15' ' ' TYR . . . . . 0.503 ' O ' ' HB2' ' A' ' 19' ' ' LYS . 25.9 t80 -57.82 -49.22 77.37 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 115.817 -0.629 . . . . 0.0 111.23 178.943 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 61.9 mm-40 -66.17 -26.67 67.52 Favored 'General case' 0 C--N 1.328 -0.369 0 N-CA-C 112.034 0.383 . . . . 0.0 112.034 -176.329 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 17' ' ' HIS . . . . . 0.545 ' CD2' ' HG2' ' A' ' 13' ' ' GLU . 73.6 m-70 -75.25 -54.13 7.62 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-O 120.999 0.428 . . . . 0.0 110.455 175.813 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 35.0 tptt -73.66 -9.51 58.74 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 121.197 0.522 . . . . 0.0 110.206 -176.88 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 19' ' ' LYS . . . . . 0.503 ' HB2' ' O ' ' A' ' 15' ' ' TYR . 55.8 tttt -57.55 -28.57 63.64 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 115.151 -0.932 . . . . 0.0 110.677 177.42 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 95.6 mt-30 -77.51 -17.91 57.53 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 115.786 -0.643 . . . . 0.0 111.056 -178.224 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 65.9 t -89.7 -47.99 14.65 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.776 -177.869 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 22' ' ' TRP . . . . . . . . . . . . . 19.7 m0 -81.86 154.26 25.95 Favored 'General case' 0 C--N 1.321 -0.656 0 CA-C-N 116.059 -0.519 . . . . 0.0 110.268 -178.224 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 23.0 p -65.31 138.25 58.06 Favored 'General case' 0 C--N 1.323 -0.58 0 N-CA-C 109.377 -0.601 . . . . 0.0 109.377 174.43 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 10.7 p -54.07 -38.08 36.9 Favored 'Isoleucine or valine' 0 CA--C 1.529 0.164 0 N-CA-C 111.712 0.264 . . . . 0.0 111.712 -173.88 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -60.88 -48.58 85.53 Favored Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.583 -0.817 . . . . 0.0 112.125 -179.995 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 26' ' ' TYR . . . . . . . . . . . . . 55.6 t80 -72.79 -36.48 67.6 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-O 120.539 0.209 . . . . 0.0 110.622 179.569 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -59.1 -47.11 86.47 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.392 -0.367 . . . . 0.0 110.726 179.038 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 25.6 m -59.61 -44.6 93.36 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-O 120.879 0.371 . . . . 0.0 110.68 177.136 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 35.1 tt0 -66.19 -47.69 73.11 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.408 -178.179 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 9.8 tt -58.56 -44.26 89.65 Favored 'General case' 0 C--O 1.235 0.305 0 N-CA-C 110.032 -0.359 . . . . 0.0 110.032 179.1 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 31' ' ' ALA . . . . . 0.416 ' HB2' ' CE1' ' A' ' 15' ' ' TYR . . . -66.16 -48.06 71.99 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 115.733 -0.667 . . . . 0.0 111.083 179.935 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 49.7 tttm -64.95 -36.8 85.55 Favored 'General case' 0 C--N 1.324 -0.529 0 C-N-CA 120.984 -0.286 . . . . 0.0 110.873 -177.26 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 33' ' ' MET . . . . . . . . . . . . . 58.6 ttp -63.59 -44.0 95.31 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 121.321 0.582 . . . . 0.0 109.825 175.828 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 34' ' ' PHE . . . . . 0.433 ' CD2' HD12 ' A' ' 38' ' ' ILE . 10.7 t80 -62.41 -49.61 74.82 Favored 'General case' 0 C--O 1.221 -0.442 0 CA-C-N 115.403 -0.817 . . . . 0.0 109.606 177.957 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 35' ' ' ASP . . . . . 0.561 ' HA ' ' HB2' ' A' ' 39' ' ' LEU . 13.4 t70 -66.38 -53.09 39.96 Favored 'General case' 0 C--N 1.32 -0.712 0 CA-C-N 116.244 -0.435 . . . . 0.0 111.697 -176.756 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -60.94 -31.23 70.77 Favored 'General case' 0 C--N 1.325 -0.47 0 N-CA-C 112.799 0.666 . . . . 0.0 112.799 -174.715 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 13.6 m-20 -102.7 -43.25 5.64 Favored 'General case' 0 C--N 1.33 -0.272 0 N-CA-C 112.687 0.625 . . . . 0.0 112.687 -178.69 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 38' ' ' ILE . . . . . 0.595 HG12 HG13 ' A' ' 58' ' ' VAL . 18.0 mt -90.38 -34.05 6.31 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.428 0 N-CA-C 112.296 0.48 . . . . 0.0 112.296 -170.086 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 39' ' ' LEU . . . . . 0.561 ' HB2' ' HA ' ' A' ' 35' ' ' ASP . 0.4 OUTLIER -61.15 -46.71 95.98 Favored Pre-proline 0 CA--C 1.542 0.644 0 N-CA-C 111.77 0.285 . . . . 0.0 111.77 -175.547 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 40' ' ' PRO . . . . . 0.52 ' HD3' ' O ' ' A' ' 35' ' ' ASP . 21.0 Cg_exo -67.57 -5.05 13.22 Favored 'Trans proline' 0 C--N 1.356 0.937 0 C-N-CA 121.916 1.744 . . . . 0.0 113.011 177.782 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 41' ' ' ILE . . . . . 0.487 HG22 HG23 ' A' ' 42' ' ' ILE . 30.2 mm -100.04 -58.49 3.84 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.409 0 CA-C-O 120.546 0.213 . . . . 0.0 111.051 179.965 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 42' ' ' ILE . . . . . 0.502 ' HA ' HD12 ' A' ' 45' ' ' LEU . 11.3 pt -125.82 8.23 4.1 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.249 0 N-CA-C 112.377 0.51 . . . . 0.0 112.377 -175.874 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -61.34 -41.78 99.61 Favored Glycine 0 N--CA 1.452 -0.272 0 C-N-CA 120.617 -0.801 . . . . 0.0 112.453 -176.17 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -81.7 2.05 84.18 Favored Glycine 0 N--CA 1.446 -0.64 0 C-N-CA 121.02 -0.609 . . . . 0.0 112.943 -179.413 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 45' ' ' LEU . . . . . 0.502 HD12 ' HA ' ' A' ' 42' ' ' ILE . 75.6 mt -89.62 151.55 21.84 Favored 'General case' 0 N--CA 1.45 -0.452 0 CA-C-N 117.047 0.423 . . . . 0.0 110.045 -179.917 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 46' ' ' GLU . . . . . 0.617 ' O ' HG13 ' A' ' 50' ' ' ILE . 41.8 mt-10 -83.5 144.89 29.24 Favored 'General case' 0 C--N 1.32 -0.681 0 N-CA-C 109.166 -0.679 . . . . 0.0 109.166 177.084 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 47' ' ' ILE . . . . . 0.537 HD11 ' HA ' ' A' ' 82' ' ' PHE . 13.8 tt -64.86 -17.96 22.68 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.661 0 CA-C-O 121.209 0.528 . . . . 0.0 111.355 -172.609 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 96.4 mt-30 -100.18 5.04 44.75 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-N 115.902 -0.59 . . . . 0.0 110.672 178.608 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 19.1 t70 -137.03 6.28 2.85 Favored 'General case' 0 CA--C 1.534 0.352 0 CA-C-O 120.933 0.397 . . . . 0.0 111.734 -170.214 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 50' ' ' ILE . . . . . 0.617 HG13 ' O ' ' A' ' 46' ' ' GLU . 83.3 mt -66.65 129.31 31.01 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.358 0 CA-C-O 121.209 0.528 . . . . 0.0 111.576 -177.021 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 51' ' ' GLU . . . . . 0.437 ' HB3' ' HB2' ' A' ' 54' ' ' GLN . 2.5 tm-20 -74.91 126.37 88.38 Favored Pre-proline 0 C--N 1.326 -0.448 0 CA-C-N 115.148 -0.933 . . . . 0.0 109.938 -178.63 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 52' ' ' PRO . . . . . . . . . . . . . 74.7 Cg_exo -48.89 -46.78 23.64 Favored 'Trans proline' 0 C--N 1.348 0.517 0 C-N-CA 123.7 2.933 . . . . 0.0 114.173 -177.62 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 53' ' ' MET . . . . . . . . . . . . . 65.3 mtm -75.76 -19.74 58.79 Favored 'General case' 0 C--N 1.328 -0.341 0 C-N-CA 121.091 -0.244 . . . . 0.0 111.157 -176.855 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 54' ' ' GLN . . . . . 0.437 ' HB2' ' HB3' ' A' ' 51' ' ' GLU . 40.7 mt-30 -76.69 -36.3 57.34 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-O 120.874 0.368 . . . . 0.0 110.275 172.767 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 55' ' ' LEU . . . . . 0.403 ' O ' ' HB ' ' A' ' 58' ' ' VAL . 30.8 tp -67.87 -33.79 75.42 Favored 'General case' 0 C--N 1.324 -0.518 0 N-CA-C 109.234 -0.654 . . . . 0.0 109.234 174.341 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 56' ' ' LEU . . . . . 0.465 HD13 ' O ' ' A' ' 56' ' ' LEU . 2.0 tm? -73.66 -29.52 62.37 Favored 'General case' 0 CA--C 1.531 0.229 0 CA-C-N 115.762 -0.654 . . . . 0.0 109.759 175.491 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 33.2 tt0 -64.69 -29.05 70.04 Favored 'General case' 0 C--N 1.329 -0.298 0 N-CA-C 109.862 -0.422 . . . . 0.0 109.862 176.407 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 58' ' ' VAL . . . . . 0.595 HG13 HG12 ' A' ' 38' ' ' ILE . 69.2 t -67.77 -48.65 74.97 Favored 'Isoleucine or valine' 0 C--O 1.236 0.39 0 CA-C-O 121.57 0.7 . . . . 0.0 110.092 172.105 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 59' ' ' ILE . . . . . 0.405 ' HB ' HD22 ' A' ' 56' ' ' LEU . 48.1 mm -54.69 -48.77 71.8 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.683 0 CA-C-N 115.262 -0.881 . . . . 0.0 110.116 176.615 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 60' ' ' ARG . . . . . 0.586 ' HA ' ' HB2' ' A' ' 63' ' ' GLU . 37.0 mtt180 -78.47 -7.3 57.29 Favored 'General case' 0 C--N 1.331 -0.196 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.92 179.883 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 61' ' ' ARG . . . . . 0.532 ' HB3' ' O ' ' A' ' 58' ' ' VAL . 8.8 tpt180 -68.17 -36.13 79.13 Favored 'General case' 0 C--N 1.323 -0.561 0 N-CA-C 108.247 -1.019 . . . . 0.0 108.247 170.962 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 62' ' ' PHE . . . . . . . . . . . . . 90.9 m-85 -84.23 -31.39 25.04 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 115.432 -0.803 . . . . 0.0 111.392 174.831 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 63' ' ' GLU . . . . . 0.586 ' HB2' ' HA ' ' A' ' 60' ' ' ARG . 35.2 mt-10 -65.32 -25.22 67.52 Favored 'General case' 0 N--CA 1.467 0.386 0 C-N-CA 120.837 -0.345 . . . . 0.0 110.484 175.259 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 20.4 t70 -52.85 -42.74 65.5 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 115.719 -0.673 . . . . 0.0 110.843 174.881 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 82.6 mtm-85 -96.22 4.79 52.14 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-N 116.156 -0.474 . . . . 0.0 111.111 -177.848 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 79.77 18.57 72.59 Favored Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 121.036 -0.602 . . . . 0.0 112.779 175.973 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -91.04 86.48 6.25 Favored 'General case' 0 C--N 1.322 -0.603 0 O-C-N 122.689 -0.3 . . . . 0.0 110.64 -178.802 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 68' ' ' MET . . . . . 0.449 ' HA ' ' CE ' ' A' ' 68' ' ' MET . 13.8 mmt -63.63 -40.01 95.81 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.077 -0.51 . . . . 0.0 110.615 -179.669 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 37.0 tt0 -68.32 -44.66 74.88 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 115.741 -0.663 . . . . 0.0 110.471 -179.194 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 59.2 mtt-85 -74.2 -22.35 59.42 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.465 -0.334 . . . . 0.0 110.833 -178.286 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -66.02 -48.71 70.24 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-O 121.142 0.496 . . . . 0.0 109.794 173.351 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 72' ' ' ASN . . . . . . . . . . . . . 42.8 m-80 -70.71 -26.45 63.41 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 116.022 -0.535 . . . . 0.0 110.287 176.15 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 46.2 tptt -62.65 -40.51 97.25 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 115.99 -0.55 . . . . 0.0 109.579 174.371 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -61.61 -47.6 84.69 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 116.267 -0.424 . . . . 0.0 109.987 173.73 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 59.6 ttt180 -56.19 -54.59 43.36 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 115.16 -0.927 . . . . 0.0 111.624 -178.806 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 99.5 mtt180 -66.99 -40.22 87.34 Favored 'General case' 0 C--N 1.327 -0.373 0 N-CA-C 112.0 0.37 . . . . 0.0 112.0 -176.182 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 77' ' ' ARG . . . . . 0.452 ' O ' HG23 ' A' ' 81' ' ' VAL . 80.4 mtm180 -66.37 -39.46 89.13 Favored 'General case' 0 C--N 1.329 -0.287 0 C-N-CA 120.959 -0.296 . . . . 0.0 111.027 -179.428 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 78' ' ' CYS . . . . . . . . . . . . . 71.3 m -63.57 -43.55 96.68 Favored 'General case' 0 C--N 1.329 -0.302 0 N-CA-C 109.815 -0.439 . . . . 0.0 109.815 175.441 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . -59.4 -35.27 84.46 Favored Glycine 0 C--N 1.333 0.378 0 C-N-CA 121.137 -0.554 . . . . 0.0 112.182 175.463 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 25.7 tp10 -67.73 -43.82 79.05 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-O 120.631 0.253 . . . . 0.0 110.544 177.803 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 81' ' ' VAL . . . . . 0.452 HG23 ' O ' ' A' ' 77' ' ' ARG . 94.4 t -61.02 -42.82 94.55 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.226 0 N-CA-C 109.826 -0.435 . . . . 0.0 109.826 174.958 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 82' ' ' PHE . . . . . 0.546 ' HB3' ' HB3' ' A' ' 94' ' ' ASN . 19.6 m-85 -57.23 -51.28 70.0 Favored 'General case' 0 C--N 1.332 -0.152 0 CA-C-N 115.821 -0.627 . . . . 0.0 110.247 175.568 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 83' ' ' ARG . . . . . 0.533 ' O ' HG23 ' A' ' 87' ' ' VAL . 65.2 ttp85 -56.54 -50.52 71.64 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 115.92 -0.582 . . . . 0.0 110.651 -179.886 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 84' ' ' TYR . . . . . . . . . . . . . 66.7 t80 -55.02 -44.7 74.86 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 115.862 -0.608 . . . . 0.0 110.874 -179.622 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 85' ' ' ALA . . . . . 0.523 ' HB2' HG21 ' A' ' 10' ' ' ILE . . . -69.46 -36.33 76.48 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.06 -0.518 . . . . 0.0 111.594 -179.647 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 86' ' ' ILE . . . . . 0.479 HG13 ' O ' ' A' ' 82' ' ' PHE . 72.8 mt -63.67 -42.85 97.43 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 CA-C-O 120.715 0.293 . . . . 0.0 110.529 177.414 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 87' ' ' VAL . . . . . 0.533 HG23 ' O ' ' A' ' 83' ' ' ARG . 59.1 t -63.41 -40.0 87.4 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-N 116.443 -0.344 . . . . 0.0 111.395 -179.319 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 88' ' ' THR . . . . . 0.441 HG23 ' HG3' ' A' ' 90' ' ' ARG . 9.6 t -82.1 -10.29 59.25 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-O 120.992 0.425 . . . . 0.0 110.939 179.317 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . 84.76 24.22 46.67 Favored Glycine 0 N--CA 1.452 -0.271 0 C-N-CA 120.796 -0.716 . . . . 0.0 113.222 176.831 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 90' ' ' ARG . . . . . 0.441 ' HG3' HG23 ' A' ' 88' ' ' THR . 99.0 mtt180 -98.59 -7.51 28.01 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-O 121.434 0.635 . . . . 0.0 109.96 177.041 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . -134.32 138.96 45.33 Favored 'General case' 0 C--N 1.323 -0.576 0 CA-C-N 115.158 -0.928 . . . . 0.0 108.766 173.887 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 78.7 tttt -93.27 -45.66 7.74 Favored 'General case' 0 C--N 1.323 -0.55 0 CA-C-O 121.231 0.539 . . . . 0.0 109.774 -176.182 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 93' ' ' TYR . . . . . . . . . . . . . 27.3 p90 -147.23 149.75 33.52 Favored 'General case' 0 C--N 1.324 -0.52 0 N-CA-C 108.744 -0.836 . . . . 0.0 108.744 174.41 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 94' ' ' ASN . . . . . 0.546 ' HB3' ' HB3' ' A' ' 82' ' ' PHE . 27.9 p-10 -106.72 136.78 19.37 Favored Pre-proline 0 C--N 1.321 -0.67 0 CA-C-O 121.026 0.441 . . . . 0.0 111.154 -176.91 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 95' ' ' PRO . . . . . 0.496 ' HD3' ' HA ' ' A' ' 94' ' ' ASN . 3.1 Cg_exo -76.52 34.09 0.43 Allowed 'Trans proline' 0 CA--C 1.531 0.369 0 C-N-CA 123.554 2.836 . . . . 0.0 112.789 -178.588 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 96' ' ' ALA . . . . . 0.564 ' N ' ' HD2' ' A' ' 97' ' ' PRO . . . -67.27 -45.3 49.9 Favored Pre-proline 0 C--N 1.327 -0.371 0 CA-C-N 116.388 -0.369 . . . . 0.0 111.47 178.763 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 97' ' ' PRO . . . . . 0.564 ' HD2' ' N ' ' A' ' 96' ' ' ALA . 14.8 Cg_endo -58.96 -40.99 66.24 Favored 'Trans proline' 0 C--N 1.356 0.943 0 C-N-CA 121.791 1.66 . . . . 0.0 111.596 173.245 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 3.5 m-20 -60.76 -41.04 94.67 Favored 'General case' 0 C--N 1.332 -0.186 0 CA-C-N 115.694 -0.684 . . . . 0.0 110.564 177.771 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 99' ' ' LEU . . . . . . . . . . . . . 3.3 tm? -54.5 -48.32 72.02 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.556 179.172 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 100' ' ' ALA . . . . . . . . . . . . . . . -67.66 -42.04 82.81 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 116.025 -0.534 . . . . 0.0 111.275 -177.787 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 6.1 t70 -70.12 -38.52 75.59 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-O 121.066 0.46 . . . . 0.0 110.424 -177.604 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -66.13 -35.6 80.91 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 115.921 -0.581 . . . . 0.0 110.745 177.574 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 103' ' ' MET . . . . . . . . . . . . . 53.3 ttm -58.05 -43.47 86.91 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-O 121.098 0.475 . . . . 0.0 110.353 175.569 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 104' ' ' LYS . . . . . . . . . . . . . 88.3 mttt -66.28 -45.52 80.15 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 115.853 -0.612 . . . . 0.0 110.413 177.693 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 105' ' ' GLY . . . . . . . . . . . . . . . -64.35 -29.87 76.27 Favored Glycine 0 N--CA 1.451 -0.308 0 CA-C-N 115.679 -0.692 . . . . 0.0 112.352 -179.641 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 106' ' ' TYR . . . . . . . . . . . . . 3.5 t80 -68.43 -42.07 79.44 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-O 120.965 0.412 . . . . 0.0 110.221 179.423 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 107' ' ' ARG . . . . . 0.639 ' O ' ' HD3' ' A' ' 107' ' ' ARG . 0.0 OUTLIER -76.89 -15.98 59.53 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.067 -179.315 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 108' ' ' LYS . . . . . . . . . . . . . 62.0 tttp -68.74 -15.03 63.39 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 115.858 -0.61 . . . . 0.0 110.755 178.952 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 109' ' ' LYS . . . . . . . . . . . . . 48.3 tttm -123.76 121.36 35.26 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-N 116.036 -0.529 . . . . 0.0 110.248 -179.51 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 110' ' ' ASN . . . . . . . . . . . . . 62.7 t30 -90.5 137.39 32.39 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.531 -0.304 . . . . 0.0 110.844 -177.308 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 111' ' ' LEU . . . . . . . . . . . . . 96.5 mt -76.09 132.67 40.2 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.887 -179.108 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 112' ' ' GLU . . . . . . . . . . . . . 30.6 tt0 -83.8 144.99 28.93 Favored 'General case' 0 C--N 1.323 -0.552 0 CA-C-N 115.822 -0.626 . . . . 0.0 110.448 -179.8 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 113' ' ' HIS . . . . . . . . . . . . . 95.4 m-70 -102.35 157.72 16.7 Favored 'General case' 0 C--N 1.327 -0.399 0 N-CA-C 110.019 -0.363 . . . . 0.0 110.019 175.408 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 114' ' ' HIS . . . . . . . . . . . . . 27.5 m170 -68.54 -37.68 80.19 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.372 -177.434 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 115' ' ' HIS . . . . . . . . . . . . . 74.2 t60 -76.31 73.74 3.1 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 121.339 0.59 . . . . 0.0 109.808 177.984 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 116' ' ' HIS . . . . . . . . . . . . . 30.9 t60 -165.35 0.54 0.03 OUTLIER 'General case' 0 C--N 1.323 -0.561 0 CA-C-N 115.333 -0.849 . . . . 0.0 109.928 -177.552 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 117' ' ' HIS . . . . . . . . . . . . . 92.2 m-70 -110.26 27.44 9.62 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.049 -0.523 . . . . 0.0 110.201 -177.393 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 118' ' ' HIS . . . . . . . . . . . . . 34.2 t-80 . . . . . 0 C--O 1.246 0.89 0 CA-C-O 117.721 -1.133 . . . . 0.0 109.41 -174.924 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 22.7 m . . . . . 0 N--CA 1.48 1.066 0 CA-C-O 120.692 0.282 . . . . 0.0 111.541 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 25.0 m -79.84 112.41 17.1 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-O 120.685 0.279 . . . . 0.0 110.887 -176.787 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 3' ' ' ASN . . . . . . . . . . . . . 13.1 t-20 63.02 24.89 14.77 Favored 'General case' 0 N--CA 1.468 0.452 0 CA-C-N 115.544 -0.753 . . . . 0.0 110.713 179.403 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 4' ' ' ASN . . . . . . . . . . . . . 6.1 m-20 -69.83 165.28 21.85 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 116.048 -0.524 . . . . 0.0 110.363 177.25 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 12.5 m120 -89.37 6.76 39.12 Favored 'General case' 0 C--N 1.323 -0.564 0 CA-C-N 116.471 -0.331 . . . . 0.0 110.502 179.82 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . 0.538 ' HA ' ' HA ' ' A' ' 46' ' ' GLU . 19.9 m -62.36 139.34 58.54 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.482 176.489 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 7' ' ' PHE . . . . . . . . . . . . . 35.9 t80 -59.64 -45.96 90.44 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.242 -175.047 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 27.0 t -61.65 -36.46 80.86 Favored 'General case' 0 C--N 1.33 -0.243 0 N-CA-C 111.394 0.146 . . . . 0.0 111.394 -178.56 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -63.61 -49.2 74.25 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 121.035 0.445 . . . . 0.0 110.642 179.082 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 62.7 mt -67.8 -37.72 78.99 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.417 0 CA-C-N 115.946 -0.57 . . . . 0.0 110.311 179.322 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 3.0 t80 -56.32 -43.37 78.92 Favored 'General case' 0 C--N 1.333 -0.136 0 CA-C-N 116.037 -0.529 . . . . 0.0 110.953 175.047 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 50.7 tptt -59.98 -47.75 84.54 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.559 -0.291 . . . . 0.0 110.583 -179.422 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 33.7 tt0 -66.49 -45.56 79.22 Favored 'General case' 0 CA--C 1.532 0.277 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.479 179.238 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 14' ' ' TRP . . . . . . . . . . . . . 61.2 t90 -57.77 -54.41 47.2 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 115.874 -0.603 . . . . 0.0 110.942 178.99 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 15' ' ' TYR . . . . . 0.632 ' CE1' ' HB2' ' A' ' 31' ' ' ALA . 23.2 t80 -57.32 -53.33 59.34 Favored 'General case' 0 C--O 1.224 -0.263 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.57 -177.675 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 41.1 tt0 -60.38 -32.13 71.01 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-O 120.901 0.381 . . . . 0.0 111.057 -175.023 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 17' ' ' HIS . . . . . . . . . . . . . 49.2 t60 -78.41 -43.28 27.8 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-N 116.335 -0.393 . . . . 0.0 110.796 179.317 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 12.6 tptm -77.31 -16.05 59.13 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-O 121.275 0.56 . . . . 0.0 110.276 -177.282 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 58.5 tttm -66.54 -17.74 64.98 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 115.607 -0.724 . . . . 0.0 110.556 175.841 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 96.0 mt-30 -75.4 -10.79 59.76 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 116.051 -0.522 . . . . 0.0 110.352 177.259 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 58.7 t -99.85 -40.7 8.72 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-N 115.984 -0.553 . . . . 0.0 110.73 179.655 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 22' ' ' TRP . . . . . . . . . . . . . 10.9 m0 -91.33 162.97 14.38 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 116.102 -0.499 . . . . 0.0 111.019 -178.135 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 16.2 m -77.45 153.94 33.06 Favored 'General case' 0 C--N 1.323 -0.547 0 N-CA-C 109.664 -0.495 . . . . 0.0 109.664 175.01 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 14.0 p -55.19 -38.7 48.1 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.328 0 N-CA-C 112.083 0.401 . . . . 0.0 112.083 -175.165 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -61.78 -61.2 7.0 Favored Glycine 0 C--N 1.332 0.309 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.249 -179.784 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 26' ' ' TYR . . . . . . . . . . . . . 89.1 t80 -59.05 -38.98 80.63 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-O 120.646 0.26 . . . . 0.0 110.928 179.274 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -61.97 -42.89 99.64 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.397 -0.365 . . . . 0.0 110.958 -179.507 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 90.7 m -63.25 -46.69 85.7 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-O 120.721 0.296 . . . . 0.0 111.288 179.96 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 54.0 mt-10 -67.06 -39.12 86.83 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.395 -0.366 . . . . 0.0 111.187 -178.567 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 10.5 tt -67.1 -42.44 84.56 Favored 'General case' 0 C--N 1.328 -0.36 0 N-CA-C 109.874 -0.417 . . . . 0.0 109.874 177.119 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 31' ' ' ALA . . . . . 0.632 ' HB2' ' CE1' ' A' ' 15' ' ' TYR . . . -60.68 -48.31 82.36 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 115.992 -0.549 . . . . 0.0 110.943 178.939 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 32' ' ' LYS . . . . . 0.603 ' HA ' ' HB3' ' A' ' 35' ' ' ASP . 54.3 tttp -73.22 -18.27 61.26 Favored 'General case' 0 N--CA 1.446 -0.636 0 C-N-CA 119.907 -0.717 . . . . 0.0 110.789 -177.381 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 33' ' ' MET . . . . . . . . . . . . . 62.3 ttp -62.82 -43.4 98.89 Favored 'General case' 0 C--N 1.326 -0.437 0 N-CA-C 108.738 -0.838 . . . . 0.0 108.738 172.521 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 34' ' ' PHE . . . . . 0.664 ' HA ' HD13 ' A' ' 38' ' ' ILE . 29.1 m-85 -69.35 -38.27 78.03 Favored 'General case' 0 C--O 1.222 -0.36 0 CA-C-N 115.697 -0.683 . . . . 0.0 110.751 174.126 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 35' ' ' ASP . . . . . 0.603 ' HB3' ' HA ' ' A' ' 32' ' ' LYS . 17.1 t70 -59.93 -66.56 0.5 Allowed 'General case' 0 C--N 1.32 -0.677 0 CA-C-N 116.381 -0.372 . . . . 0.0 111.255 178.078 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 20.9 t70 -71.87 -28.66 63.68 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 115.779 -0.646 . . . . 0.0 112.521 -168.12 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 47.5 m-20 -107.74 -43.63 4.43 Favored 'General case' 0 C--N 1.329 -0.296 0 N-CA-C 112.307 0.484 . . . . 0.0 112.307 -176.636 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 38' ' ' ILE . . . . . 0.664 HD13 ' HA ' ' A' ' 34' ' ' PHE . 1.8 mp -79.75 -43.3 22.97 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.375 0 N-CA-C 111.918 0.34 . . . . 0.0 111.918 -175.885 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 39' ' ' LEU . . . . . 0.562 ' N ' ' HD2' ' A' ' 40' ' ' PRO . 37.4 mt -65.99 -42.74 54.03 Favored Pre-proline 0 CA--C 1.535 0.392 0 N-CA-C 113.462 0.912 . . . . 0.0 113.462 -171.328 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 40' ' ' PRO . . . . . 0.562 ' HD2' ' N ' ' A' ' 39' ' ' LEU . 32.6 Cg_endo -63.91 -13.0 34.67 Favored 'Trans proline' 0 C--N 1.352 0.723 0 C-N-CA 121.807 1.671 . . . . 0.0 112.438 177.826 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 41' ' ' ILE . . . . . 0.53 HG22 HG23 ' A' ' 42' ' ' ILE . 33.0 mm -98.99 -67.75 0.92 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.386 0 CA-C-N 116.521 -0.309 . . . . 0.0 110.471 179.679 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 42' ' ' ILE . . . . . 0.53 HG23 HG22 ' A' ' 41' ' ' ILE . 17.3 pt -120.97 10.71 6.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 N-CA-C 112.027 0.38 . . . . 0.0 112.027 -174.382 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 43' ' ' GLY . . . . . 0.447 ' HA3' ' HA ' ' A' ' 39' ' ' LEU . . . -60.62 -36.33 91.31 Favored Glycine 0 N--CA 1.452 -0.26 0 C-N-CA 120.623 -0.799 . . . . 0.0 112.626 -176.256 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -97.87 20.14 51.81 Favored Glycine 0 N--CA 1.445 -0.765 0 C-N-CA 120.802 -0.713 . . . . 0.0 112.618 -178.916 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 45' ' ' LEU . . . . . 0.449 HD12 HG22 ' A' ' 42' ' ' ILE . 84.3 mt -107.1 158.59 16.96 Favored 'General case' 0 N--CA 1.454 -0.274 0 N-CA-C 110.102 -0.333 . . . . 0.0 110.102 177.777 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 46' ' ' GLU . . . . . 0.538 ' HA ' ' HA ' ' A' ' 6' ' ' SER . 47.9 mt-10 -80.52 140.49 35.83 Favored 'General case' 0 C--N 1.323 -0.549 0 N-CA-C 109.904 -0.406 . . . . 0.0 109.904 177.301 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 47' ' ' ILE . . . . . 0.401 HD11 ' HA ' ' A' ' 82' ' ' PHE . 15.0 tt -63.85 -20.92 27.56 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.633 0 CA-C-N 116.087 -0.506 . . . . 0.0 111.267 -175.614 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 98.1 mt-30 -89.16 -12.9 39.68 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.024 -0.534 . . . . 0.0 110.869 177.556 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 27.3 t70 -130.73 51.25 2.14 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-O 121.507 0.67 . . . . 0.0 111.045 -169.834 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 50' ' ' ILE . . . . . 0.519 HG13 ' O ' ' A' ' 46' ' ' GLU . 81.2 mt -108.7 129.18 63.66 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.701 0 CA-C-N 115.789 -0.641 . . . . 0.0 109.933 176.539 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 43.2 mt-10 -74.05 143.43 80.67 Favored Pre-proline 0 C--N 1.326 -0.456 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.058 179.663 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 52' ' ' PRO . . . . . . . . . . . . . 53.0 Cg_exo -55.68 -34.64 91.19 Favored 'Trans proline' 0 N--CA 1.462 -0.349 0 C-N-CA 122.53 2.153 . . . . 0.0 111.346 176.588 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 53' ' ' MET . . . . . . . . . . . . . 65.5 mtt -65.72 -33.04 74.95 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 115.819 -0.628 . . . . 0.0 111.08 179.231 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 82.6 mt-30 -79.74 -43.7 22.1 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.388 -0.369 . . . . 0.0 111.308 -177.493 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 55' ' ' LEU . . . . . 0.425 HD23 ' HB2' ' A' ' 99' ' ' LEU . 32.9 tp -64.06 -36.52 84.28 Favored 'General case' 0 C--N 1.323 -0.578 0 CA-C-O 121.532 0.682 . . . . 0.0 109.193 176.141 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 56' ' ' LEU . . . . . 0.757 HD11 ' HE ' ' A' ' 60' ' ' ARG . 2.3 tm? -71.77 -28.76 63.85 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-N 115.389 -0.823 . . . . 0.0 110.046 176.751 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 32.4 tt0 -70.52 -33.25 70.97 Favored 'General case' 0 C--O 1.222 -0.349 0 N-CA-C 109.892 -0.41 . . . . 0.0 109.892 177.481 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 58' ' ' VAL . . . . . 0.673 ' O ' ' HB3' ' A' ' 61' ' ' ARG . 53.1 t -58.9 -50.79 78.28 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 CA-C-O 121.561 0.696 . . . . 0.0 110.061 172.793 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 59' ' ' ILE . . . . . 0.56 HG23 ' HB1' ' A' ' 71' ' ' ALA . 1.6 mp -61.08 -40.68 86.53 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.693 0 CA-C-N 115.473 -0.785 . . . . 0.0 110.713 177.784 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 60' ' ' ARG . . . . . 0.757 ' HE ' HD11 ' A' ' 56' ' ' LEU . 0.0 OUTLIER -74.14 -17.71 60.89 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-O 120.813 0.339 . . . . 0.0 111.142 178.138 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 61' ' ' ARG . . . . . 0.673 ' HB3' ' O ' ' A' ' 58' ' ' VAL . 17.2 tpt180 -64.42 -41.0 96.84 Favored 'General case' 0 C--N 1.326 -0.455 0 N-CA-C 109.435 -0.58 . . . . 0.0 109.435 173.812 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 62' ' ' PHE . . . . . 0.406 ' HB3' ' HB3' ' A' ' 67' ' ' ALA . 97.0 m-85 -71.91 -31.45 66.39 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-N 115.686 -0.688 . . . . 0.0 110.489 173.562 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 63' ' ' GLU . . . . . 0.527 ' OE1' ' HD2' ' A' ' 60' ' ' ARG . 36.0 tt0 -65.19 -31.07 72.06 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 115.861 -0.609 . . . . 0.0 111.035 179.918 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 30.5 m-20 -55.96 -27.99 55.02 Favored 'General case' 0 N--CA 1.467 0.383 0 CA-C-N 116.572 -0.286 . . . . 0.0 111.157 176.328 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 66.3 mtm-85 -105.46 9.28 33.64 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-O 120.843 0.354 . . . . 0.0 110.815 -179.569 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 71.3 25.53 75.28 Favored Glycine 0 N--CA 1.45 -0.367 0 C-N-CA 121.15 -0.548 . . . . 0.0 112.753 179.276 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 67' ' ' ALA . . . . . 0.406 ' HB3' ' HB3' ' A' ' 62' ' ' PHE . . . -91.22 98.26 11.62 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-O 120.88 0.371 . . . . 0.0 110.999 -178.551 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 68' ' ' MET . . . . . 0.467 ' HA ' ' CE ' ' A' ' 68' ' ' MET . 11.2 mmt -80.04 -54.5 5.73 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 116.066 -0.515 . . . . 0.0 111.334 -176.412 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 69' ' ' GLU . . . . . 0.418 ' O ' ' HB2' ' A' ' 73' ' ' LYS . 1.7 mp0 -63.84 -35.95 82.32 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.563 -0.29 . . . . 0.0 110.508 179.507 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 3.9 ttt85 -70.0 -29.8 66.96 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 116.458 -0.337 . . . . 0.0 110.632 -178.828 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 71' ' ' ALA . . . . . 0.56 ' HB1' HG23 ' A' ' 59' ' ' ILE . . . -66.99 -46.12 75.53 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-O 121.187 0.518 . . . . 0.0 110.004 176.488 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 72' ' ' ASN . . . . . 0.419 ' HA ' ' HB3' ' A' ' 75' ' ' ARG . 49.1 m-80 -75.64 -19.93 58.85 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 115.891 -0.595 . . . . 0.0 110.378 178.067 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 73' ' ' LYS . . . . . 0.418 ' HB2' ' O ' ' A' ' 69' ' ' GLU . 24.1 tttp -66.01 -52.85 45.57 Favored 'General case' 0 C--N 1.326 -0.415 0 N-CA-C 108.932 -0.766 . . . . 0.0 108.932 173.967 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -58.39 -48.34 80.96 Favored 'General case' 0 C--O 1.223 -0.308 0 CA-C-N 115.616 -0.72 . . . . 0.0 109.798 174.959 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 75' ' ' ARG . . . . . 0.419 ' HB3' ' HA ' ' A' ' 72' ' ' ASN . 76.4 ttt180 -47.95 -49.77 29.28 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-N 115.304 -0.862 . . . . 0.0 111.893 178.112 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 38.4 ttp180 -81.69 -30.49 32.59 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-N 116.501 -0.318 . . . . 0.0 111.408 -174.14 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 77' ' ' ARG . . . . . 0.413 ' O ' HG23 ' A' ' 81' ' ' VAL . 35.7 mmt180 -76.25 -38.14 56.69 Favored 'General case' 0 C--N 1.327 -0.379 0 C-N-CA 121.072 -0.251 . . . . 0.0 110.984 178.84 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 78' ' ' CYS . . . . . . . . . . . . . 98.4 m -64.05 -42.88 96.88 Favored 'General case' 0 C--N 1.331 -0.239 0 N-CA-C 109.667 -0.494 . . . . 0.0 109.667 174.211 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . -55.36 -35.58 61.22 Favored Glycine 0 C--N 1.336 0.562 0 C-N-CA 121.009 -0.615 . . . . 0.0 111.909 173.919 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 40.7 tt0 -66.14 -41.75 90.03 Favored 'General case' 0 C--N 1.329 -0.284 0 N-CA-C 110.31 -0.255 . . . . 0.0 110.31 176.621 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 81' ' ' VAL . . . . . 0.413 HG23 ' O ' ' A' ' 77' ' ' ARG . 60.2 t -62.71 -42.92 97.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.306 -0.406 . . . . 0.0 110.653 177.112 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 82' ' ' PHE . . . . . 0.487 ' O ' HG13 ' A' ' 86' ' ' ILE . 59.5 m-85 -58.88 -46.79 86.99 Favored 'General case' 0 C--N 1.332 -0.193 0 CA-C-O 120.996 0.427 . . . . 0.0 110.295 175.111 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 83' ' ' ARG . . . . . 0.443 ' HA ' HD12 ' A' ' 86' ' ' ILE . 74.7 ttt180 -63.68 -39.28 93.93 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 115.704 -0.68 . . . . 0.0 110.4 179.526 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 84' ' ' TYR . . . . . . . . . . . . . 68.1 t80 -58.21 -43.01 87.46 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 115.715 -0.675 . . . . 0.0 109.906 176.654 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 85' ' ' ALA . . . . . 0.409 ' HA ' ' OG1' ' A' ' 88' ' ' THR . . . -65.89 -34.15 77.47 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 116.079 -0.509 . . . . 0.0 111.048 179.139 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 86' ' ' ILE . . . . . 0.559 ' HA ' ' O ' ' A' ' 91' ' ' ALA . 79.6 mt -64.74 -41.49 92.35 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 CA-C-O 121.213 0.53 . . . . 0.0 110.381 177.128 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 87' ' ' VAL . . . . . 0.436 HG23 ' O ' ' A' ' 83' ' ' ARG . 47.7 t -74.04 -32.04 31.88 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.387 0 CA-C-N 115.95 -0.568 . . . . 0.0 110.973 -179.87 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 88' ' ' THR . . . . . 0.409 ' OG1' ' HA ' ' A' ' 85' ' ' ALA . 19.8 p -87.93 2.64 51.1 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-O 120.773 0.321 . . . . 0.0 111.499 -178.797 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . 66.96 37.97 92.5 Favored Glycine 0 N--CA 1.453 -0.203 0 C-N-CA 121.017 -0.611 . . . . 0.0 112.676 178.007 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 90' ' ' ARG . . . . . 0.408 HH11 ' HD2' ' A' ' 90' ' ' ARG . 70.3 mtt180 -112.41 -15.75 13.05 Favored 'General case' 0 C--N 1.321 -0.645 0 CA-C-O 120.865 0.364 . . . . 0.0 110.471 178.147 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 91' ' ' ALA . . . . . 0.559 ' O ' ' HA ' ' A' ' 86' ' ' ILE . . . -155.74 169.27 24.75 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 115.841 -0.618 . . . . 0.0 110.04 -179.393 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 80.1 tttt -136.23 -64.84 0.59 Allowed 'General case' 0 C--N 1.322 -0.61 0 CA-C-N 116.301 -0.409 . . . . 0.0 110.112 176.873 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 93' ' ' TYR . . . . . . . . . . . . . 88.0 t80 -89.93 133.28 34.87 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.134 178.718 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 94' ' ' ASN . . . . . 0.464 ' HA ' ' HD3' ' A' ' 95' ' ' PRO . 26.5 p30 -114.41 148.75 40.89 Favored Pre-proline 0 C--N 1.319 -0.729 0 CA-C-N 115.75 -0.659 . . . . 0.0 110.248 178.822 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 95' ' ' PRO . . . . . 0.464 ' HD3' ' HA ' ' A' ' 94' ' ' ASN . 2.6 Cg_exo -77.78 28.53 0.45 Allowed 'Trans proline' 0 N--CA 1.464 -0.258 0 C-N-CA 123.061 2.507 . . . . 0.0 112.254 177.223 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 96' ' ' ALA . . . . . 0.515 ' N ' ' HD2' ' A' ' 97' ' ' PRO . . . -69.85 -47.9 22.76 Favored Pre-proline 0 CA--C 1.536 0.436 0 N-CA-C 111.626 0.232 . . . . 0.0 111.626 -179.353 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 97' ' ' PRO . . . . . 0.515 ' HD2' ' N ' ' A' ' 96' ' ' ALA . 19.2 Cg_endo -60.72 -32.83 93.5 Favored 'Trans proline' 0 C--N 1.357 1.023 0 C-N-CA 121.721 1.614 . . . . 0.0 111.537 173.816 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 23.9 m-20 -72.02 -36.47 69.71 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 115.753 -0.658 . . . . 0.0 110.225 177.697 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 99' ' ' LEU . . . . . 0.425 ' HB2' HD23 ' A' ' 55' ' ' LEU . 3.1 tm? -58.91 -44.68 91.29 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 115.802 -0.636 . . . . 0.0 109.993 176.601 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 100' ' ' ALA . . . . . . . . . . . . . . . -63.99 -41.15 97.6 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.727 179.803 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 32.1 t70 -68.44 -41.52 80.18 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.659 179.425 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 102' ' ' ALA . . . . . 0.523 ' O ' ' HB2' ' A' ' 106' ' ' TYR . . . -70.81 -17.95 62.75 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-O 121.032 0.444 . . . . 0.0 111.1 179.424 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 103' ' ' MET . . . . . . . . . . . . . 50.8 ttm -80.59 -50.38 10.06 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-O 120.926 0.393 . . . . 0.0 110.586 177.061 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 104' ' ' LYS . . . . . . . . . . . . . 62.6 tttm -82.54 -36.25 26.5 Favored 'General case' 0 C--N 1.321 -0.663 0 CA-C-N 116.07 -0.514 . . . . 0.0 111.478 -176.31 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 105' ' ' GLY . . . . . . . . . . . . . . . -74.53 -13.7 81.66 Favored Glycine 0 C--O 1.228 -0.237 0 C-N-CA 121.195 -0.526 . . . . 0.0 112.276 -179.111 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 106' ' ' TYR . . . . . 0.523 ' HB2' ' O ' ' A' ' 102' ' ' ALA . 62.4 t80 -78.69 -12.37 60.02 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-O 120.859 0.362 . . . . 0.0 110.176 178.298 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 107' ' ' ARG . . . . . . . . . . . . . 33.2 ttt180 -69.08 -11.93 61.23 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.992 -176.931 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 108' ' ' LYS . . . . . . . . . . . . . 63.2 mttm -58.59 -32.59 69.12 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.094 -0.503 . . . . 0.0 109.737 173.156 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 109' ' ' LYS . . . . . . . . . . . . . 62.1 tttm 58.8 82.18 0.15 Allowed 'General case' 0 C--O 1.233 0.199 0 CA-C-N 115.014 -0.994 . . . . 0.0 110.481 -178.166 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 110' ' ' ASN . . . . . . . . . . . . . 92.6 m-20 -62.07 143.78 56.16 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 115.232 -0.895 . . . . 0.0 110.808 -176.858 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 111' ' ' LEU . . . . . . . . . . . . . 87.4 mt -71.47 -43.15 67.15 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-N 115.828 -0.624 . . . . 0.0 111.481 -173.857 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 112' ' ' GLU . . . . . . . . . . . . . 34.4 tt0 -93.33 120.68 33.89 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-O 121.259 0.552 . . . . 0.0 111.162 -176.844 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 113' ' ' HIS . . . . . . . . . . . . . 24.5 t-80 -92.32 121.08 33.48 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-N 115.526 -0.761 . . . . 0.0 109.696 178.143 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 114' ' ' HIS . . . . . . . . . . . . . 37.2 m80 -96.74 179.08 5.1 Favored 'General case' 0 C--N 1.321 -0.633 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.551 -179.182 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 115' ' ' HIS . . . . . . . . . . . . . 21.5 p-80 -107.61 -6.0 17.17 Favored 'General case' 0 C--N 1.328 -0.369 0 C-N-CA 120.746 -0.382 . . . . 0.0 111.5 -176.231 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 116' ' ' HIS . . . . . . . . . . . . . 17.7 t60 -64.08 -43.24 96.02 Favored 'General case' 0 CA--C 1.52 -0.192 0 N-CA-C 108.414 -0.958 . . . . 0.0 108.414 171.745 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 117' ' ' HIS . . . . . . . . . . . . . 46.1 t-80 -116.15 106.52 13.81 Favored 'General case' 0 C--N 1.322 -0.608 0 CA-C-N 115.18 -0.918 . . . . 0.0 108.567 169.782 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 118' ' ' HIS . . . . . . . . . . . . . 1.5 p-80 . . . . . 0 C--O 1.251 1.174 0 CA-C-O 118.267 -0.873 . . . . 0.0 111.068 -178.227 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 49.2 m . . . . . 0 N--CA 1.475 0.822 0 CA-C-O 120.867 0.365 . . . . 0.0 110.577 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 1.6 p -170.52 166.68 8.28 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-N 115.894 -0.594 . . . . 0.0 110.181 -176.297 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 3' ' ' ASN . . . . . . . . . . . . . 28.7 p-10 -80.07 15.12 1.59 Allowed 'General case' 0 N--CA 1.464 0.259 0 CA-C-O 120.866 0.365 . . . . 0.0 111.804 -174.69 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 4' ' ' ASN . . . . . . . . . . . . . 30.3 p-10 -91.24 3.74 54.07 Favored 'General case' 0 C--N 1.323 -0.553 0 CA-C-O 120.949 0.404 . . . . 0.0 110.324 179.088 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 11.7 m120 -84.13 -11.52 56.48 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.4 177.761 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 20.2 m -62.53 141.45 58.43 Favored 'General case' 0 C--O 1.239 0.525 0 CA-C-N 116.028 -0.533 . . . . 0.0 110.087 176.608 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 7' ' ' PHE . . . . . 0.587 ' HE1' ' HZ ' ' A' ' 34' ' ' PHE . 18.7 t80 -56.57 -44.79 81.33 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.113 -175.014 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 49.2 m -57.39 -35.0 69.46 Favored 'General case' 0 CA--C 1.532 0.273 0 N-CA-C 112.11 0.411 . . . . 0.0 112.11 -179.46 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -67.46 -54.88 16.43 Favored 'General case' 0 C--O 1.237 0.399 0 CA-C-O 121.124 0.488 . . . . 0.0 110.654 -178.488 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 59.2 mt -66.25 -31.88 55.59 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-N 115.7 -0.682 . . . . 0.0 110.27 179.762 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 7.3 t80 -56.22 -48.01 77.31 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 115.843 -0.617 . . . . 0.0 111.157 175.806 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 82.9 tttt -63.54 -41.42 98.46 Favored 'General case' 0 C--N 1.329 -0.295 0 C-N-CA 120.718 -0.393 . . . . 0.0 110.496 -179.113 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 39.7 tt0 -63.08 -49.36 74.82 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.131 178.625 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 14' ' ' TRP . . . . . . . . . . . . . 62.5 t90 -57.56 -48.16 80.08 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 115.811 -0.631 . . . . 0.0 110.563 176.847 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 15' ' ' TYR . . . . . 0.547 ' CE1' ' HB2' ' A' ' 31' ' ' ALA . 22.4 t80 -55.69 -52.45 63.82 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 115.922 -0.581 . . . . 0.0 111.222 178.618 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 1.2 tp10 -61.71 -34.63 76.14 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-O 120.975 0.417 . . . . 0.0 110.65 -176.122 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 17' ' ' HIS . . . . . . . . . . . . . 1.6 m80 -71.02 -47.77 56.78 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 115.954 -0.566 . . . . 0.0 110.72 179.324 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 13.8 mmmm -75.49 -14.09 60.41 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.453 -0.34 . . . . 0.0 111.107 -178.21 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 36.7 ttpt -67.35 -17.7 64.86 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 121.438 0.637 . . . . 0.0 110.35 177.776 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 97.3 mt-30 -88.43 -10.24 49.86 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 115.817 -0.628 . . . . 0.0 110.346 177.093 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 46.5 t -100.29 -41.06 8.8 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.393 0 CA-C-N 115.855 -0.612 . . . . 0.0 110.738 -177.985 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 22' ' ' TRP . . . . . . . . . . . . . 12.4 m0 -92.5 165.42 13.03 Favored 'General case' 0 C--N 1.323 -0.565 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.488 179.775 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 15.1 p -68.4 136.58 53.54 Favored 'General case' 0 C--N 1.322 -0.599 0 N-CA-C 109.406 -0.59 . . . . 0.0 109.406 173.621 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 71.8 t -55.71 -38.68 51.82 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.413 0 N-CA-C 111.913 0.338 . . . . 0.0 111.913 -176.171 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -58.78 -50.08 71.06 Favored Glycine 0 N--CA 1.452 -0.256 0 C-N-CA 120.633 -0.794 . . . . 0.0 111.736 177.633 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 26' ' ' TYR . . . . . . . . . . . . . 48.7 t80 -70.19 -39.18 75.36 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-O 120.516 0.198 . . . . 0.0 110.822 179.413 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -60.96 -39.93 91.44 Favored 'General case' 0 C--N 1.332 -0.174 0 CA-C-O 120.829 0.347 . . . . 0.0 111.041 -178.9 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 50.1 m -67.57 -44.85 77.19 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 116.337 -0.392 . . . . 0.0 111.044 179.998 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 41.5 mt-10 -65.42 -44.41 87.48 Favored 'General case' 0 C--N 1.331 -0.196 0 CA-C-O 120.612 0.244 . . . . 0.0 110.732 177.778 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 9.7 tt -57.61 -40.87 80.09 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.309 177.736 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 31' ' ' ALA . . . . . 0.547 ' HB2' ' CE1' ' A' ' 15' ' ' TYR . . . -66.22 -55.63 15.26 Favored 'General case' 0 C--O 1.221 -0.44 0 CA-C-N 115.846 -0.615 . . . . 0.0 111.438 -179.787 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 32' ' ' LYS . . . . . 0.527 ' HA ' ' HB2' ' A' ' 35' ' ' ASP . 45.8 tttm -64.41 -28.25 69.55 Favored 'General case' 0 C--N 1.328 -0.331 0 C-N-CA 120.611 -0.436 . . . . 0.0 110.865 -175.741 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 33' ' ' MET . . . . . . . . . . . . . 8.2 tmm? -67.88 -45.53 74.22 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 121.086 0.469 . . . . 0.0 109.791 174.638 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 34' ' ' PHE . . . . . 0.587 ' HZ ' ' HE1' ' A' ' 7' ' ' PHE . 8.3 t80 -61.11 -44.11 97.85 Favored 'General case' 0 C--N 1.329 -0.315 0 N-CA-C 109.11 -0.7 . . . . 0.0 109.11 175.127 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 35' ' ' ASP . . . . . 0.527 ' HB2' ' HA ' ' A' ' 32' ' ' LYS . 0.3 OUTLIER -50.94 -66.81 0.32 Allowed 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 114.92 -1.036 . . . . 0.0 112.294 178.5 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 37.8 t70 -73.06 -25.85 61.06 Favored 'General case' 0 C--N 1.325 -0.471 0 N-CA-C 112.853 0.686 . . . . 0.0 112.853 -168.123 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 37' ' ' ASP . . . . . 0.409 ' HB3' ' HG2' ' A' ' 61' ' ' ARG . 22.8 m-20 -99.86 -38.55 8.59 Favored 'General case' 0 C--N 1.322 -0.597 0 N-CA-C 112.398 0.518 . . . . 0.0 112.398 -176.176 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 38' ' ' ILE . . . . . 0.571 HD12 ' CD2' ' A' ' 34' ' ' PHE . 16.2 mt -97.26 -39.12 8.51 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.514 0 N-CA-C 112.35 0.5 . . . . 0.0 112.35 -171.407 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 39' ' ' LEU . . . . . 0.558 ' N ' ' HD2' ' A' ' 40' ' ' PRO . 40.2 mt -63.36 -41.09 65.57 Favored Pre-proline 0 CA--C 1.539 0.535 0 N-CA-C 113.288 0.848 . . . . 0.0 113.288 -175.105 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 40' ' ' PRO . . . . . 0.558 ' HD2' ' N ' ' A' ' 39' ' ' LEU . 34.2 Cg_endo -65.14 -9.42 21.73 Favored 'Trans proline' 0 C--N 1.355 0.902 0 C-N-CA 121.632 1.555 . . . . 0.0 112.581 176.868 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 41.7 mm -100.25 -60.75 2.63 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.421 0 CA-C-N 116.417 -0.356 . . . . 0.0 111.22 -178.276 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 42' ' ' ILE . . . . . 0.436 ' HA ' HD12 ' A' ' 45' ' ' LEU . 11.6 pt -120.69 7.68 6.24 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 N-CA-C 112.21 0.448 . . . . 0.0 112.21 -176.388 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -62.8 -33.18 86.21 Favored Glycine 0 N--CA 1.452 -0.27 0 C-N-CA 120.627 -0.797 . . . . 0.0 112.569 -176.316 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -93.41 8.93 74.83 Favored Glycine 0 N--CA 1.448 -0.537 0 C-N-CA 120.839 -0.696 . . . . 0.0 112.472 -178.962 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 45' ' ' LEU . . . . . 0.494 HD11 ' HG2' ' A' ' 54' ' ' GLN . 68.7 mt -96.84 139.77 32.39 Favored 'General case' 0 N--CA 1.451 -0.399 0 N-CA-C 109.966 -0.383 . . . . 0.0 109.966 178.53 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 46' ' ' GLU . . . . . 0.447 ' O ' HG13 ' A' ' 50' ' ' ILE . 4.4 mp0 -67.3 133.56 49.91 Favored 'General case' 0 C--N 1.323 -0.585 0 N-CA-C 109.219 -0.659 . . . . 0.0 109.219 174.504 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 47' ' ' ILE . . . . . 0.44 HD13 ' CB ' ' A' ' 85' ' ' ALA . 19.3 tt -58.96 -23.19 23.41 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.612 0 N-CA-C 112.309 0.485 . . . . 0.0 112.309 -171.965 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 63.5 tt0 -91.27 -17.45 25.96 Favored 'General case' 0 C--N 1.323 -0.565 0 CA-C-O 121.124 0.488 . . . . 0.0 111.068 -178.248 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 9.9 m-20 -130.93 76.6 1.73 Allowed 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 116.079 -0.509 . . . . 0.0 110.377 -177.806 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 50' ' ' ILE . . . . . 0.447 HG13 ' O ' ' A' ' 46' ' ' GLU . 59.4 mt -117.14 136.59 53.82 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.555 0 CA-C-N 115.995 -0.548 . . . . 0.0 110.926 -178.75 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 51' ' ' GLU . . . . . 0.476 ' HA ' ' HD2' ' A' ' 52' ' ' PRO . 10.6 tp10 -66.2 118.27 51.23 Favored Pre-proline 0 C--N 1.325 -0.467 0 CA-C-N 115.357 -0.838 . . . . 0.0 110.297 176.613 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 52' ' ' PRO . . . . . 0.476 ' HD2' ' HA ' ' A' ' 51' ' ' GLU . 9.5 Cg_endo -53.54 -41.12 75.98 Favored 'Trans proline' 0 C--N 1.346 0.421 0 C-N-CA 123.41 2.74 . . . . 0.0 113.156 -178.791 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 53' ' ' MET . . . . . . . . . . . . . 52.3 mtm -75.62 -15.29 60.36 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-O 121.043 0.449 . . . . 0.0 110.619 -179.267 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 54' ' ' GLN . . . . . 0.494 ' HG2' HD11 ' A' ' 45' ' ' LEU . 41.0 tp60 -80.47 -37.25 32.21 Favored 'General case' 0 C--N 1.326 -0.445 0 N-CA-C 108.98 -0.748 . . . . 0.0 108.98 178.828 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 55' ' ' LEU . . . . . 0.443 ' O ' ' HB ' ' A' ' 58' ' ' VAL . 26.1 tp -65.83 -35.57 81.06 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 115.549 -0.75 . . . . 0.0 109.485 175.577 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 2.9 tm? -67.2 -31.67 72.22 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 115.765 -0.652 . . . . 0.0 109.636 175.144 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 22.2 tt0 -65.82 -27.37 68.2 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.16 177.496 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 58' ' ' VAL . . . . . 0.558 HG13 HG12 ' A' ' 38' ' ' ILE . 54.8 t -65.44 -52.51 50.65 Favored 'Isoleucine or valine' 0 C--O 1.236 0.374 0 CA-C-O 121.268 0.556 . . . . 0.0 110.304 171.21 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 59' ' ' ILE . . . . . . . . . . . . . 1.8 mp -56.15 -41.51 69.66 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.419 0 CA-C-N 115.885 -0.598 . . . . 0.0 110.093 176.934 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 6.1 ttt180 -76.77 -20.39 56.5 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.91 -178.472 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 61' ' ' ARG . . . . . 0.553 ' HB3' ' O ' ' A' ' 58' ' ' VAL . 0.3 OUTLIER -58.25 -43.79 88.0 Favored 'General case' 0 C--N 1.33 -0.274 0 N-CA-C 109.116 -0.698 . . . . 0.0 109.116 172.457 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 62' ' ' PHE . . . . . . . . . . . . . 96.7 m-85 -77.61 -19.0 56.24 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-N 115.369 -0.832 . . . . 0.0 111.492 177.596 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 37.7 tt0 -69.59 -39.16 77.44 Favored 'General case' 0 C--N 1.327 -0.389 0 N-CA-C 109.735 -0.469 . . . . 0.0 109.735 176.939 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 45.4 m-20 -57.73 -34.32 69.39 Favored 'General case' 0 N--CA 1.467 0.387 0 CA-C-O 121.177 0.513 . . . . 0.0 110.278 174.01 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 58.0 mtp85 -86.17 -1.0 57.02 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 115.655 -0.702 . . . . 0.0 111.08 -176.5 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 64.49 40.76 97.95 Favored Glycine 0 N--CA 1.447 -0.572 0 C-N-CA 121.072 -0.585 . . . . 0.0 112.078 -178.904 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -127.83 89.27 2.91 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-O 120.801 0.334 . . . . 0.0 110.953 179.687 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 68' ' ' MET . . . . . 0.536 ' HA ' ' CE ' ' A' ' 68' ' ' MET . 14.0 mmt -73.4 -33.92 65.24 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-O 121.083 0.468 . . . . 0.0 109.939 178.942 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 34.0 mt-10 -60.2 -50.63 72.91 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 115.528 -0.76 . . . . 0.0 110.182 177.034 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 81.3 mtt180 -68.81 -26.5 65.22 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 115.883 -0.599 . . . . 0.0 110.604 -179.579 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -69.18 -41.48 77.11 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 121.102 0.477 . . . . 0.0 110.204 176.258 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 72' ' ' ASN . . . . . . . . . . . . . 83.3 m-20 -64.0 -42.83 97.04 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 115.858 -0.61 . . . . 0.0 110.154 175.063 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 1.6 mptm? -64.33 -33.42 75.8 Favored 'General case' 0 C--N 1.332 -0.167 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.717 176.354 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -60.54 -53.64 55.02 Favored 'General case' 0 C--N 1.331 -0.235 0 N-CA-C 110.287 -0.264 . . . . 0.0 110.287 175.293 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 26.2 ttm105 -54.4 -47.41 72.78 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 115.915 -0.584 . . . . 0.0 110.78 177.005 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 18.2 ttt180 -59.21 -53.48 57.75 Favored 'General case' 0 C--N 1.332 -0.188 0 CA-C-N 115.885 -0.598 . . . . 0.0 111.414 -179.05 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 77' ' ' ARG . . . . . 0.545 ' O ' HG23 ' A' ' 81' ' ' VAL . 87.3 mtm180 -59.01 -39.47 81.97 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.396 -0.366 . . . . 0.0 111.324 -177.18 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 78' ' ' CYS . . . . . . . . . . . . . 83.8 m -60.33 -48.96 79.52 Favored 'General case' 0 C--N 1.328 -0.368 0 N-CA-C 109.672 -0.492 . . . . 0.0 109.672 175.748 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . -58.71 -37.49 89.86 Favored Glycine 0 C--N 1.334 0.469 0 C-N-CA 121.247 -0.502 . . . . 0.0 112.458 177.14 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 43.0 mt-10 -61.25 -50.37 73.32 Favored 'General case' 0 C--N 1.333 -0.138 0 CA-C-N 116.699 0.249 . . . . 0.0 110.492 175.869 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 81' ' ' VAL . . . . . 0.545 HG23 ' O ' ' A' ' 77' ' ' ARG . 47.4 t -61.28 -43.32 96.31 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.253 0 CA-C-N 116.292 -0.413 . . . . 0.0 110.422 178.959 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 82' ' ' PHE . . . . . 0.644 ' HB3' ' HB3' ' A' ' 94' ' ' ASN . 19.3 m-85 -55.8 -52.79 62.76 Favored 'General case' 0 N--CA 1.462 0.152 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.788 176.542 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 83' ' ' ARG . . . . . 0.481 ' O ' HG23 ' A' ' 87' ' ' VAL . 23.4 ttm-85 -62.6 -41.34 98.92 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.669 -178.453 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 84' ' ' TYR . . . . . 0.453 ' O ' HG22 ' A' ' 88' ' ' THR . 71.2 t80 -57.37 -43.82 83.9 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.016 -0.538 . . . . 0.0 110.238 177.557 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 85' ' ' ALA . . . . . 0.443 ' HA ' HG22 ' A' ' 88' ' ' THR . . . -69.31 -33.47 73.22 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 115.905 -0.589 . . . . 0.0 111.269 179.25 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 86' ' ' ILE . . . . . 0.586 ' HA ' ' O ' ' A' ' 91' ' ' ALA . 75.8 mt -62.43 -45.19 99.38 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.388 0 CA-C-O 120.773 0.321 . . . . 0.0 110.523 177.505 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 87' ' ' VAL . . . . . 0.481 HG23 ' O ' ' A' ' 83' ' ' ARG . 47.9 t -64.18 -41.32 92.07 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.35 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.335 -178.728 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 88' ' ' THR . . . . . 0.501 HG23 ' HG3' ' A' ' 90' ' ' ARG . 7.8 t -81.09 -9.55 59.8 Favored 'General case' 0 CA--C 1.538 0.484 0 CA-C-O 120.927 0.394 . . . . 0.0 111.303 -178.988 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . 87.12 24.71 36.37 Favored Glycine 0 CA--C 1.52 0.352 0 C-N-CA 120.656 -0.783 . . . . 0.0 113.446 175.424 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 90' ' ' ARG . . . . . 0.501 ' HG3' HG23 ' A' ' 88' ' ' THR . 50.8 mtt180 -102.85 -5.79 23.21 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-O 121.422 0.63 . . . . 0.0 109.845 177.637 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 91' ' ' ALA . . . . . 0.586 ' O ' ' HA ' ' A' ' 86' ' ' ILE . . . -150.25 164.01 36.8 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-N 115.151 -0.931 . . . . 0.0 108.768 175.431 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 66.7 mttm -136.17 -45.62 0.63 Allowed 'General case' 0 C--N 1.326 -0.447 0 CA-C-O 120.751 0.31 . . . . 0.0 110.923 -178.25 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 93' ' ' TYR . . . . . . . . . . . . . 81.4 t80 -117.7 127.76 54.24 Favored 'General case' 0 C--N 1.323 -0.562 0 N-CA-C 110.019 -0.363 . . . . 0.0 110.019 175.329 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 94' ' ' ASN . . . . . 0.644 ' HB3' ' HB3' ' A' ' 82' ' ' PHE . 0.3 OUTLIER -100.5 134.49 20.62 Favored Pre-proline 0 C--N 1.326 -0.438 0 CA-C-N 116.464 -0.334 . . . . 0.0 111.082 178.801 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 95' ' ' PRO . . . . . 0.496 ' HD3' ' HA ' ' A' ' 94' ' ' ASN . 6.9 Cg_exo -74.92 36.63 0.44 Allowed 'Trans proline' 0 CA--C 1.532 0.39 0 C-N-CA 123.448 2.765 . . . . 0.0 112.914 -179.333 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 96' ' ' ALA . . . . . 0.483 ' N ' ' HD2' ' A' ' 97' ' ' PRO . . . -68.77 -49.63 27.08 Favored Pre-proline 0 C--N 1.325 -0.464 0 CA-C-N 116.509 -0.314 . . . . 0.0 111.417 179.152 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 97' ' ' PRO . . . . . 0.483 ' HD2' ' N ' ' A' ' 96' ' ' ALA . 33.8 Cg_endo -66.1 -29.7 47.82 Favored 'Trans proline' 0 C--N 1.356 0.939 0 C-N-CA 121.724 1.616 . . . . 0.0 111.686 174.522 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 4.5 m-20 -67.19 -39.91 86.46 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 115.868 -0.605 . . . . 0.0 109.89 177.382 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 99' ' ' LEU . . . . . 0.418 ' HB2' HD23 ' A' ' 55' ' ' LEU . 3.2 tm? -54.5 -46.11 73.41 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 115.641 -0.709 . . . . 0.0 109.858 174.862 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 100' ' ' ALA . . . . . . . . . . . . . . . -65.09 -43.33 92.47 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 115.863 -0.608 . . . . 0.0 111.421 -178.937 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 101' ' ' ASP . . . . . 0.526 ' HA ' ' HD2' ' A' ' 104' ' ' LYS . 20.3 t70 -71.06 -37.25 72.51 Favored 'General case' 0 C--O 1.234 0.26 0 CA-C-O 120.881 0.372 . . . . 0.0 110.665 -177.985 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 102' ' ' ALA . . . . . 0.49 ' O ' ' HB2' ' A' ' 106' ' ' TYR . . . -64.39 -41.98 96.38 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 115.97 -0.559 . . . . 0.0 110.298 176.72 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 103' ' ' MET . . . . . . . . . . . . . 59.3 ttm -59.25 -37.46 77.64 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.006 -0.543 . . . . 0.0 110.444 176.891 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 104' ' ' LYS . . . . . 0.526 ' HD2' ' HA ' ' A' ' 101' ' ' ASP . 61.3 mttm -66.41 -56.59 10.29 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 115.959 -0.564 . . . . 0.0 111.07 177.338 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 105' ' ' GLY . . . . . . . . . . . . . . . -63.6 -31.56 81.19 Favored Glycine 0 CA--C 1.517 0.184 0 CA-C-N 115.59 -0.732 . . . . 0.0 112.775 -176.558 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 106' ' ' TYR . . . . . 0.49 ' HB2' ' O ' ' A' ' 102' ' ' ALA . 3.2 t80 -64.06 -31.02 72.06 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-O 120.971 0.415 . . . . 0.0 110.376 179.936 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 107' ' ' ARG . . . . . . . . . . . . . 87.4 mtt-85 -93.85 -0.22 55.88 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.036 -0.529 . . . . 0.0 111.218 -176.66 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 108' ' ' LYS . . . . . . . . . . . . . 67.5 mttm -84.99 -17.9 36.14 Favored 'General case' 0 C--N 1.327 -0.405 0 N-CA-C 109.064 -0.717 . . . . 0.0 109.064 171.785 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 109' ' ' LYS . . . . . . . . . . . . . 86.9 tttt 54.97 70.49 0.62 Allowed 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 114.205 -1.361 . . . . 0.0 111.984 179.047 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 110' ' ' ASN . . . . . 0.468 ' OD1' ' HB2' ' A' ' 117' ' ' HIS . 90.0 m-20 -96.74 -57.64 2.24 Favored 'General case' 0 C--N 1.322 -0.597 0 N-CA-C 108.255 -1.017 . . . . 0.0 108.255 167.791 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 111' ' ' LEU . . . . . . . . . . . . . 54.5 tp 69.79 -68.91 0.18 Allowed 'General case' 0 N--CA 1.466 0.375 0 CA-C-N 115.069 -0.969 . . . . 0.0 111.562 175.066 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 112' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -108.35 150.84 26.8 Favored 'General case' 0 C--N 1.32 -0.715 0 N-CA-C 108.654 -0.869 . . . . 0.0 108.654 -177.64 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 113' ' ' HIS . . . . . . . . . . . . . 70.2 m80 -77.96 -17.4 57.23 Favored 'General case' 0 C--N 1.322 -0.611 0 N-CA-C 111.594 0.22 . . . . 0.0 111.594 -170.295 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 114' ' ' HIS . . . . . . . . . . . . . 55.1 m80 -73.55 -18.27 61.1 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-O 121.128 0.489 . . . . 0.0 110.096 171.657 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 115' ' ' HIS . . . . . . . . . . . . . 57.2 t60 -106.98 70.2 0.79 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 115.862 -0.608 . . . . 0.0 110.127 -179.728 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 116' ' ' HIS . . . . . . . . . . . . . 82.3 t60 -84.91 113.54 21.46 Favored 'General case' 0 C--N 1.32 -0.702 0 N-CA-C 108.568 -0.901 . . . . 0.0 108.568 175.347 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 117' ' ' HIS . . . . . 0.468 ' HB2' ' OD1' ' A' ' 110' ' ' ASN . 4.9 t60 -43.72 -56.49 3.76 Favored 'General case' 0 N--CA 1.469 0.524 0 O-C-N 124.085 0.866 . . . . 0.0 112.101 -172.206 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 118' ' ' HIS . . . . . . . . . . . . . 54.5 t-80 . . . . . 0 C--O 1.243 0.762 0 CA-C-O 118.258 -0.877 . . . . 0.0 109.614 177.329 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 44.7 m . . . . . 0 N--CA 1.476 0.87 0 N-CA-C 110.191 -0.3 . . . . 0.0 110.191 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 25.1 m -101.63 158.15 16.3 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-N 116.443 -0.344 . . . . 0.0 110.679 -177.637 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 3' ' ' ASN . . . . . . . . . . . . . 53.2 t-20 -103.03 145.75 29.41 Favored 'General case' 0 C--N 1.324 -0.515 0 N-CA-C 108.459 -0.941 . . . . 0.0 108.459 174.609 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 4' ' ' ASN . . . . . . . . . . . . . 85.4 m-20 -60.97 -19.72 61.41 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-O 121.131 0.491 . . . . 0.0 110.527 177.248 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 5.0 m-20 -110.76 22.39 15.43 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 115.931 -0.577 . . . . 0.0 111.415 -178.675 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . 0.562 ' HA ' ' HA ' ' A' ' 46' ' ' GLU . 69.5 m -71.24 156.55 39.41 Favored 'General case' 0 C--N 1.33 -0.282 0 N-CA-C 109.899 -0.408 . . . . 0.0 109.899 173.408 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 7' ' ' PHE . . . . . . . . . . . . . 26.9 t80 -59.12 -50.3 74.58 Favored 'General case' 0 C--N 1.329 -0.303 0 N-CA-C 111.766 0.284 . . . . 0.0 111.766 -172.777 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 69.1 m -55.07 -40.1 69.97 Favored 'General case' 0 N--CA 1.467 0.385 0 N-CA-C 111.894 0.331 . . . . 0.0 111.894 -179.508 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -65.82 -50.53 64.29 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.989 0.423 . . . . 0.0 111.004 -177.881 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 10' ' ' ILE . . . . . 0.5 HG12 ' HD3' ' A' ' 90' ' ' ARG . 55.9 mt -70.21 -38.04 73.37 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 CA-C-N 115.896 -0.593 . . . . 0.0 110.655 -179.153 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 11' ' ' TYR . . . . . 0.563 ' OH ' ' HA ' ' A' ' 31' ' ' ALA . 51.6 t80 -56.83 -43.29 80.9 Favored 'General case' 0 C--O 1.223 -0.33 0 CA-C-N 116.058 -0.519 . . . . 0.0 110.393 175.262 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 81.9 tttt -70.15 -36.57 74.83 Favored 'General case' 0 C--N 1.325 -0.478 0 C-N-CA 120.979 -0.288 . . . . 0.0 110.787 -177.75 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 41.6 tt0 -64.12 -42.87 96.68 Favored 'General case' 0 C--O 1.234 0.266 0 N-CA-C 109.508 -0.553 . . . . 0.0 109.508 176.04 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 14' ' ' TRP . . . . . . . . . . . . . 58.4 t90 -64.96 -49.39 70.49 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 115.601 -0.727 . . . . 0.0 110.711 175.727 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 15' ' ' TYR . . . . . . . . . . . . . 6.8 t80 -55.81 -48.36 75.56 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 115.985 -0.552 . . . . 0.0 111.268 178.514 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 16' ' ' GLU . . . . . 0.404 ' O ' ' HG3' ' A' ' 20' ' ' GLN . 28.9 tt0 -65.26 -33.45 76.03 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-O 121.009 0.433 . . . . 0.0 110.602 -177.116 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 17' ' ' HIS . . . . . . . . . . . . . 35.7 t60 -74.42 -40.4 62.02 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 115.747 -0.661 . . . . 0.0 110.435 178.727 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 29.5 mmtm -72.02 -28.51 63.43 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.15 177.922 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 37.0 ttpt -67.3 -15.27 63.59 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-O 121.109 0.48 . . . . 0.0 110.532 176.903 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 20' ' ' GLN . . . . . 0.404 ' HG3' ' O ' ' A' ' 16' ' ' GLU . 95.8 mt-30 -78.52 -8.68 58.82 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.098 -0.501 . . . . 0.0 109.923 175.783 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 79.3 t -113.8 -41.98 3.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 115.839 -0.619 . . . . 0.0 110.686 179.479 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 22' ' ' TRP . . . . . . . . . . . . . 30.7 m0 -78.59 168.45 19.75 Favored 'General case' 0 C--N 1.324 -0.524 0 CA-C-N 116.007 -0.542 . . . . 0.0 111.275 -179.23 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 40.2 m -77.08 151.44 35.47 Favored 'General case' 0 C--N 1.323 -0.565 0 N-CA-C 109.091 -0.707 . . . . 0.0 109.091 171.669 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 14.6 p -60.21 -37.35 73.17 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.423 0 CA-C-O 120.545 0.212 . . . . 0.0 111.188 -175.839 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -66.76 -44.72 88.69 Favored Glycine 0 N--CA 1.447 -0.599 0 C-N-CA 120.919 -0.658 . . . . 0.0 111.785 179.354 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 26' ' ' TYR . . . . . . . . . . . . . 88.6 t80 -67.17 -41.7 85.52 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-O 120.635 0.255 . . . . 0.0 110.509 179.623 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -64.52 -43.9 92.56 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 116.289 -0.414 . . . . 0.0 110.799 -179.313 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 51.7 m -66.66 -45.82 77.68 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.836 179.243 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 15.0 tp10 -63.05 -35.62 80.85 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-O 120.962 0.411 . . . . 0.0 110.534 -179.185 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 9.8 tt -68.01 -51.37 47.84 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-N 115.99 -0.55 . . . . 0.0 110.272 177.64 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 31' ' ' ALA . . . . . 0.563 ' HA ' ' OH ' ' A' ' 11' ' ' TYR . . . -63.22 -33.82 76.32 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.553 -179.571 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 87.0 tttt -62.38 -51.85 65.95 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-N 115.865 -0.607 . . . . 0.0 110.358 175.017 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 33' ' ' MET . . . . . . . . . . . . . 56.1 ttp -56.15 -50.3 71.51 Favored 'General case' 0 C--O 1.235 0.329 0 CA-C-N 115.716 -0.675 . . . . 0.0 110.727 177.658 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 34' ' ' PHE . . . . . 0.495 ' O ' ' HB ' ' A' ' 38' ' ' ILE . 4.1 t80 -60.17 -45.92 91.46 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-N 115.103 -0.953 . . . . 0.0 110.378 -179.108 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 35' ' ' ASP . . . . . 0.575 ' HA ' ' HB2' ' A' ' 39' ' ' LEU . 20.1 t70 -64.42 -50.36 67.89 Favored 'General case' 0 C--N 1.321 -0.634 0 CA-C-N 116.356 -0.384 . . . . 0.0 111.777 -177.59 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 8.3 m-20 -62.73 -38.96 92.54 Favored 'General case' 0 C--N 1.325 -0.462 0 N-CA-C 113.092 0.775 . . . . 0.0 113.092 -174.073 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 2.3 m-20 -106.99 -18.51 13.89 Favored 'General case' 0 C--N 1.328 -0.365 0 N-CA-C 113.24 0.83 . . . . 0.0 113.24 -173.029 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 38' ' ' ILE . . . . . 0.563 HG12 HG13 ' A' ' 58' ' ' VAL . 13.2 mt -110.37 -37.5 3.12 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.436 0 O-C-N 122.117 -0.364 . . . . 0.0 111.927 -174.363 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 39' ' ' LEU . . . . . 0.575 ' HB2' ' HA ' ' A' ' 35' ' ' ASP . 0.2 OUTLIER -59.47 -47.76 97.21 Favored Pre-proline 0 CA--C 1.539 0.537 0 N-CA-C 112.417 0.525 . . . . 0.0 112.417 -174.038 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 40' ' ' PRO . . . . . 0.517 ' HD2' ' N ' ' A' ' 39' ' ' LEU . 32.8 Cg_endo -64.58 -8.3 16.91 Favored 'Trans proline' 0 C--N 1.354 0.867 0 C-N-CA 121.982 1.788 . . . . 0.0 113.222 179.181 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 41' ' ' ILE . . . . . 0.461 HG22 HG23 ' A' ' 42' ' ' ILE . 49.0 mt -101.62 -55.04 6.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.693 -0.231 . . . . 0.0 111.594 -177.096 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 42' ' ' ILE . . . . . 0.461 HG23 HG22 ' A' ' 41' ' ' ILE . 9.1 pt -127.68 3.23 3.4 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.256 0 N-CA-C 112.459 0.54 . . . . 0.0 112.459 -177.458 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 43' ' ' GLY . . . . . 0.514 ' HA3' HD13 ' A' ' 39' ' ' LEU . . . -59.8 -41.53 97.66 Favored Glycine 0 N--CA 1.452 -0.293 0 C-N-CA 120.536 -0.84 . . . . 0.0 112.433 -176.103 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -85.12 7.85 73.36 Favored Glycine 0 N--CA 1.446 -0.642 0 C-N-CA 120.824 -0.703 . . . . 0.0 113.081 -179.391 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 45' ' ' LEU . . . . . 0.404 HD11 ' HG2' ' A' ' 54' ' ' GLN . 91.6 mt -93.38 169.07 10.64 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 117.36 0.58 . . . . 0.0 110.312 179.652 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 46' ' ' GLU . . . . . 0.562 ' HA ' ' HA ' ' A' ' 6' ' ' SER . 46.5 mt-10 -91.86 142.35 27.67 Favored 'General case' 0 C--N 1.321 -0.637 0 N-CA-C 109.287 -0.635 . . . . 0.0 109.287 177.562 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 47' ' ' ILE . . . . . 0.443 HD13 ' HB2' ' A' ' 85' ' ' ALA . 12.4 tt -69.24 -14.98 19.11 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.554 0 CA-C-O 121.219 0.533 . . . . 0.0 110.755 -176.259 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 69.0 mt-30 -92.67 -8.8 43.0 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 115.888 -0.596 . . . . 0.0 109.97 177.68 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 37.8 t70 -138.51 78.85 1.7 Allowed 'General case' 0 C--N 1.326 -0.429 0 CA-C-O 121.204 0.526 . . . . 0.0 110.808 -173.908 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 50' ' ' ILE . . . . . . . . . . . . . 42.7 mt -131.53 118.14 38.18 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 CA-C-N 115.741 -0.663 . . . . 0.0 110.035 176.135 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 51' ' ' GLU . . . . . 0.499 ' HG3' ' HB2' ' A' ' 54' ' ' GLN . 5.4 pt-20 -75.2 140.36 73.03 Favored Pre-proline 0 C--N 1.315 -0.9 0 CA-C-N 115.357 -0.838 . . . . 0.0 110.39 -179.851 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 52' ' ' PRO . . . . . 0.802 ' HB3' ' HB3' ' A' ' 98' ' ' ASP . 10.1 Cg_endo -52.4 -40.27 71.51 Favored 'Trans proline' 0 C--N 1.344 0.317 0 C-N-CA 123.217 2.611 . . . . 0.0 113.048 -176.202 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 53' ' ' MET . . . . . . . . . . . . . 84.4 mmm -63.98 -32.19 73.64 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.723 0.297 . . . . 0.0 111.314 -179.522 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 54' ' ' GLN . . . . . 0.499 ' HB2' ' HG3' ' A' ' 51' ' ' GLU . 38.3 tp60 -77.54 -39.2 46.78 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-O 121.4 0.619 . . . . 0.0 109.671 -178.248 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 55' ' ' LEU . . . . . 0.652 HD23 ' HB2' ' A' ' 99' ' ' LEU . 25.6 tp -69.03 -38.41 79.15 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 115.711 -0.677 . . . . 0.0 110.056 178.61 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 56' ' ' LEU . . . . . 0.498 HD22 ' HB ' ' A' ' 59' ' ' ILE . 2.2 tm? -70.86 -28.19 64.39 Favored 'General case' 0 C--N 1.328 -0.328 0 N-CA-C 109.785 -0.45 . . . . 0.0 109.785 175.814 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 9.0 tp10 -58.83 -39.26 80.68 Favored 'General case' 0 C--N 1.327 -0.388 0 N-CA-C 109.433 -0.58 . . . . 0.0 109.433 176.553 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 58' ' ' VAL . . . . . 0.635 ' O ' ' HB3' ' A' ' 61' ' ' ARG . 56.1 t -60.11 -55.3 25.06 Favored 'Isoleucine or valine' 0 C--O 1.236 0.383 0 CA-C-O 121.487 0.661 . . . . 0.0 111.127 172.986 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 59' ' ' ILE . . . . . 0.498 ' HB ' HD22 ' A' ' 56' ' ' LEU . 50.8 mm -58.03 -48.07 85.18 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.557 0 CA-C-N 115.438 -0.801 . . . . 0.0 110.901 -177.971 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 60' ' ' ARG . . . . . 0.455 HH11 ' HD2' ' A' ' 60' ' ' ARG . 22.9 ttp85 -68.11 -29.04 67.87 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 115.501 -0.772 . . . . 0.0 110.547 -178.573 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 61' ' ' ARG . . . . . 0.635 ' HB3' ' O ' ' A' ' 58' ' ' VAL . 7.4 tpt180 -53.38 -45.48 69.28 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.164 -0.471 . . . . 0.0 109.885 173.921 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 62' ' ' PHE . . . . . . . . . . . . . 80.2 m-85 -68.97 -32.97 72.93 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 116.26 -0.427 . . . . 0.0 111.412 176.825 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 44.0 mt-10 -68.86 -39.16 80.02 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.695 -0.229 . . . . 0.0 110.951 178.823 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 2.0 m-20 -59.47 -31.17 69.09 Favored 'General case' 0 N--CA 1.464 0.254 0 CA-C-O 120.96 0.41 . . . . 0.0 110.504 174.08 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 65' ' ' ARG . . . . . 0.632 ' HG2' ' O ' ' A' ' 61' ' ' ARG . 36.4 mmm-85 -75.86 -25.51 56.25 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 115.735 -0.666 . . . . 0.0 110.366 178.29 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 90.87 8.3 65.3 Favored Glycine 0 N--CA 1.447 -0.604 0 N-CA-C 111.011 -0.836 . . . . 0.0 111.011 -174.53 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -90.19 82.97 5.98 Favored 'General case' 0 N--CA 1.448 -0.531 0 CA-C-O 120.978 0.418 . . . . 0.0 110.28 -179.261 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 68' ' ' MET . . . . . . . . . . . . . 33.0 mmm -69.72 -32.93 71.77 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 115.9 -0.591 . . . . 0.0 110.748 -174.082 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 40.8 mt-10 -63.43 -48.35 78.12 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-O 121.204 0.526 . . . . 0.0 109.806 177.277 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 39.1 mtt180 -70.63 -32.26 69.51 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-N 115.436 -0.802 . . . . 0.0 110.71 -175.297 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -62.04 -44.72 96.09 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-O 121.092 0.473 . . . . 0.0 110.549 176.34 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 72' ' ' ASN . . . . . . . . . . . . . 28.8 m-80 -72.49 -38.92 68.02 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 116.002 -0.545 . . . . 0.0 110.779 178.293 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 92.3 mttt -60.31 -40.78 91.76 Favored 'General case' 0 C--O 1.236 0.357 0 CA-C-N 116.353 -0.385 . . . . 0.0 110.775 177.353 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -58.02 -51.73 68.47 Favored 'General case' 0 N--CA 1.454 -0.255 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.108 176.63 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 75' ' ' ARG . . . . . 0.582 ' HE ' ' HE1' ' A' ' 103' ' ' MET . 33.6 ttm180 -56.36 -49.42 74.47 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 115.792 -0.64 . . . . 0.0 111.018 -178.289 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 85.0 mtt180 -61.17 -52.04 66.49 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 115.801 -0.636 . . . . 0.0 111.664 -176.627 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 77' ' ' ARG . . . . . 0.56 ' O ' HG23 ' A' ' 81' ' ' VAL . 51.8 mtt180 -83.89 -20.26 33.36 Favored 'General case' 0 C--N 1.327 -0.398 0 N-CA-C 112.784 0.661 . . . . 0.0 112.784 -171.63 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 78' ' ' CYS . . . . . . . . . . . . . 89.8 m -66.74 -44.57 81.14 Favored 'General case' 0 C--N 1.329 -0.317 0 N-CA-C 109.072 -0.714 . . . . 0.0 109.072 170.229 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . -59.92 -32.95 76.6 Favored Glycine 0 N--CA 1.447 -0.616 0 CA-C-N 115.867 -0.606 . . . . 0.0 112.083 175.457 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 32.0 tt0 -68.95 -40.9 78.68 Favored 'General case' 0 N--CA 1.455 -0.215 0 C-N-CA 121.161 -0.216 . . . . 0.0 110.436 177.12 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 81' ' ' VAL . . . . . 0.56 HG23 ' O ' ' A' ' 77' ' ' ARG . 93.2 t -60.39 -45.95 95.85 Favored 'Isoleucine or valine' 0 C--O 1.232 0.158 0 CA-C-O 120.929 0.395 . . . . 0.0 110.147 176.311 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 82' ' ' PHE . . . . . 0.457 ' O ' HG13 ' A' ' 86' ' ' ILE . 49.1 m-85 -57.91 -45.04 87.12 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 116.071 -0.513 . . . . 0.0 110.758 176.622 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 15.3 ttm180 -68.22 -39.61 82.33 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.11 -0.496 . . . . 0.0 110.623 -179.663 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 84' ' ' TYR . . . . . . . . . . . . . 55.8 t80 -56.25 -44.79 80.02 Favored 'General case' 0 CA--C 1.517 -0.318 0 CA-C-N 116.12 -0.491 . . . . 0.0 109.881 175.546 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 85' ' ' ALA . . . . . 0.443 ' HB2' HD13 ' A' ' 47' ' ' ILE . . . -63.0 -38.61 91.89 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-N 115.753 -0.658 . . . . 0.0 111.115 179.325 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 86' ' ' ILE . . . . . 0.457 HG13 ' O ' ' A' ' 82' ' ' PHE . 76.5 mt -62.28 -44.0 98.65 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.529 0 CA-C-O 120.964 0.411 . . . . 0.0 110.505 177.624 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 87' ' ' VAL . . . . . . . . . . . . . 62.1 t -68.98 -32.93 56.49 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.294 0 CA-C-N 116.089 -0.505 . . . . 0.0 111.253 179.531 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 88' ' ' THR . . . . . 0.411 ' OG1' ' HA ' ' A' ' 85' ' ' ALA . 16.9 p -86.93 3.22 46.55 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-O 121.114 0.483 . . . . 0.0 111.266 -179.689 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . 68.39 31.53 74.28 Favored Glycine 0 N--CA 1.449 -0.444 0 CA-C-N 115.96 -0.564 . . . . 0.0 112.533 178.351 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 90' ' ' ARG . . . . . 0.5 ' HD3' HG12 ' A' ' 10' ' ' ILE . 95.8 mtt-85 -104.56 -23.9 13.06 Favored 'General case' 0 C--N 1.321 -0.643 0 CA-C-O 120.8 0.333 . . . . 0.0 110.922 -179.933 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . -132.95 155.74 48.55 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-O 120.932 0.396 . . . . 0.0 111.046 -178.04 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 82.0 mttt -109.54 -64.8 1.21 Allowed 'General case' 0 C--N 1.325 -0.494 0 CA-C-N 115.614 -0.721 . . . . 0.0 109.845 -179.32 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 93' ' ' TYR . . . . . . . . . . . . . 56.3 t80 -114.61 130.45 56.78 Favored 'General case' 0 C--N 1.323 -0.567 0 CA-C-N 115.345 -0.843 . . . . 0.0 109.424 -179.781 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 94' ' ' ASN . . . . . 0.492 ' HA ' ' HD3' ' A' ' 95' ' ' PRO . 22.1 p-10 -102.74 131.36 22.38 Favored Pre-proline 0 C--N 1.32 -0.675 0 CA-C-O 120.735 0.302 . . . . 0.0 110.305 178.962 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 95' ' ' PRO . . . . . 0.492 ' HD3' ' HA ' ' A' ' 94' ' ' ASN . 6.5 Cg_exo -73.89 29.08 0.32 Allowed 'Trans proline' 0 C--N 1.343 0.284 0 C-N-CA 123.31 2.674 . . . . 0.0 113.177 -177.321 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 96' ' ' ALA . . . . . 0.563 ' HB3' ' HD3' ' A' ' 97' ' ' PRO . . . -63.21 -48.21 83.69 Favored Pre-proline 0 C--N 1.324 -0.509 0 CA-C-N 116.687 -0.233 . . . . 0.0 111.409 178.591 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 97' ' ' PRO . . . . . 0.563 ' HD3' ' HB3' ' A' ' 96' ' ' ALA . 53.1 Cg_exo -57.99 -39.18 88.29 Favored 'Trans proline' 0 C--N 1.357 0.984 0 C-N-CA 121.9 1.734 . . . . 0.0 112.313 174.708 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 98' ' ' ASP . . . . . 0.802 ' HB3' ' HB3' ' A' ' 52' ' ' PRO . 3.7 m-20 -66.66 -40.23 88.53 Favored 'General case' 0 CA--C 1.517 -0.317 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.709 178.385 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 99' ' ' LEU . . . . . 0.652 ' HB2' HD23 ' A' ' 55' ' ' LEU . 2.9 tm? -54.68 -49.2 71.22 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 115.937 -0.574 . . . . 0.0 110.129 176.822 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 100' ' ' ALA . . . . . . . . . . . . . . . -64.35 -42.68 96.1 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 116.114 -0.494 . . . . 0.0 111.265 -178.545 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 11.4 t70 -71.15 -45.59 63.21 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.328 -0.397 . . . . 0.0 111.143 -175.495 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -63.55 -38.27 90.48 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 116.032 -0.531 . . . . 0.0 110.659 179.919 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 103' ' ' MET . . . . . 0.582 ' HE1' ' HE ' ' A' ' 75' ' ' ARG . 47.8 ttm -58.58 -43.43 89.45 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.026 -0.534 . . . . 0.0 110.426 177.638 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 104' ' ' LYS . . . . . . . . . . . . . 23.0 tptm -69.66 -42.57 74.03 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-N 115.575 -0.739 . . . . 0.0 110.808 -179.211 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 105' ' ' GLY . . . . . 0.589 ' HA2' ' HE3' ' A' ' 108' ' ' LYS . . . -72.77 -39.1 56.09 Favored Glycine 0 N--CA 1.45 -0.371 0 CA-C-N 115.853 -0.612 . . . . 0.0 113.137 -176.287 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 106' ' ' TYR . . . . . . . . . . . . . 88.0 t80 -57.61 -40.84 80.03 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-O 120.821 0.343 . . . . 0.0 111.88 -176.9 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 107' ' ' ARG . . . . . 0.451 ' HG3' ' O ' ' A' ' 103' ' ' MET . 77.2 mtt-85 -68.01 -13.91 62.55 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.336 -0.393 . . . . 0.0 111.706 -173.634 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 108' ' ' LYS . . . . . 0.589 ' HE3' ' HA2' ' A' ' 105' ' ' GLY . 9.8 mtmp? -75.99 -17.35 59.73 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-O 120.828 0.347 . . . . 0.0 111.013 -178.426 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 109' ' ' LYS . . . . . . . . . . . . . 6.5 ttpm? -86.98 -0.77 57.16 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 121.41 0.624 . . . . 0.0 110.256 179.75 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 110' ' ' ASN . . . . . . . . . . . . . 64.4 t30 -111.12 105.91 14.79 Favored 'General case' 0 C--N 1.322 -0.604 0 N-CA-C 109.339 -0.615 . . . . 0.0 109.339 174.753 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 111' ' ' LEU . . . . . . . . . . . . . 47.3 tp -74.42 -48.71 26.04 Favored 'General case' 0 C--N 1.321 -0.674 0 CA-C-N 116.056 -0.52 . . . . 0.0 111.005 -176.608 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 112' ' ' GLU . . . . . . . . . . . . . 41.1 mt-10 -102.62 127.65 49.63 Favored 'General case' 0 C--N 1.321 -0.644 0 CA-C-N 116.093 -0.503 . . . . 0.0 109.782 -177.556 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 113' ' ' HIS . . . . . . . . . . . . . 46.7 m170 -64.46 -27.59 69.09 Favored 'General case' 0 N--CA 1.464 0.262 0 CA-C-O 121.186 0.517 . . . . 0.0 110.398 -176.138 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 114' ' ' HIS . . . . . . . . . . . . . 47.0 m-70 -108.85 99.94 9.22 Favored 'General case' 0 C--N 1.321 -0.654 0 N-CA-C 108.668 -0.864 . . . . 0.0 108.668 169.239 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 115' ' ' HIS . . . . . . . . . . . . . 6.1 t-160 -61.98 -37.25 84.1 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-N 115.446 -0.797 . . . . 0.0 109.646 -176.398 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 116' ' ' HIS . . . . . . . . . . . . . 76.6 t60 -81.56 129.49 34.7 Favored 'General case' 0 N--CA 1.449 -0.506 0 CA-C-N 115.771 -0.649 . . . . 0.0 109.458 174.213 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 117' ' ' HIS . . . . . . . . . . . . . 12.3 m170 -81.95 153.76 26.1 Favored 'General case' 0 C--N 1.322 -0.606 0 CA-C-O 121.039 0.447 . . . . 0.0 110.898 -176.764 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 118' ' ' HIS . . . . . . . . . . . . . 64.0 m-70 . . . . . 0 C--O 1.245 0.846 0 CA-C-O 118.372 -0.823 . . . . 0.0 109.853 -177.107 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 3.3 p . . . . . 0 N--CA 1.474 0.762 0 CA-C-O 121.095 0.474 . . . . 0.0 110.822 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . 0.476 ' HB3' ' HB2' ' A' ' 13' ' ' GLU . 34.0 p -95.97 117.69 31.13 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 116.073 -0.512 . . . . 0.0 110.263 177.733 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 3' ' ' ASN . . . . . . . . . . . . . 31.3 p-10 -106.16 -8.33 17.46 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-O 121.014 0.435 . . . . 0.0 110.613 -179.182 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 4' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -90.98 165.32 13.61 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.176 176.623 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 13.8 m120 -108.83 7.43 26.17 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-O 121.173 0.511 . . . . 0.0 110.107 177.366 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . 0.459 ' HA ' ' HA ' ' A' ' 46' ' ' GLU . 6.9 m -76.9 153.27 34.86 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-N 115.686 -0.688 . . . . 0.0 110.371 -179.388 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 7' ' ' PHE . . . . . . . . . . . . . 46.3 t80 -60.14 -46.81 88.4 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.299 -0.409 . . . . 0.0 111.172 -175.884 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 68.0 m -59.87 -35.21 74.32 Favored 'General case' 0 C--N 1.331 -0.206 0 N-CA-C 111.612 0.227 . . . . 0.0 111.612 -178.326 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -64.28 -50.38 68.11 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-O 120.856 0.36 . . . . 0.0 111.004 -179.639 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 55.5 mt -73.09 -31.46 35.13 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.412 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.433 -179.286 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -62.25 -39.3 92.41 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.093 173.403 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 86.3 tttt -69.57 -42.03 75.05 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 115.902 -0.59 . . . . 0.0 110.08 178.865 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 13' ' ' GLU . . . . . 0.476 ' HB2' ' HB3' ' A' ' 2' ' ' SER . 46.9 tp10 -59.39 -46.13 89.54 Favored 'General case' 0 C--O 1.236 0.384 0 CA-C-O 121.4 0.619 . . . . 0.0 109.991 175.375 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 14' ' ' TRP . . . . . 0.453 ' HZ2' ' HD2' ' A' ' 77' ' ' ARG . 44.9 t90 -60.3 -54.19 48.67 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 114.993 -1.003 . . . . 0.0 110.526 177.349 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 15' ' ' TYR . . . . . . . . . . . . . 22.2 t80 -55.77 -46.89 77.83 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.314 -0.403 . . . . 0.0 111.311 179.225 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 1.4 tm-20 -53.71 -47.85 70.15 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 121.083 0.468 . . . . 0.0 110.697 -177.088 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 17' ' ' HIS . . . . . . . . . . . . . 6.6 m-70 -83.22 -38.95 21.56 Favored 'General case' 0 C--N 1.321 -0.64 0 CA-C-N 116.113 -0.494 . . . . 0.0 111.104 -175.314 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 25.6 tptp -71.87 -21.66 61.62 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 116.462 -0.335 . . . . 0.0 111.276 -175.143 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 16.0 pttm -69.03 -12.16 61.43 Favored 'General case' 0 C--N 1.331 -0.202 0 CA-C-O 120.774 0.321 . . . . 0.0 110.696 -179.229 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 95.3 mt-30 -78.04 -25.91 48.08 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.965 0.412 . . . . 0.0 110.273 176.876 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 27.6 t -87.03 -29.37 5.72 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.389 0 CA-C-O 121.401 0.62 . . . . 0.0 110.02 178.88 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 22' ' ' TRP . . . . . . . . . . . . . 30.2 m0 -94.71 178.5 5.57 Favored 'General case' 0 C--N 1.323 -0.557 0 CA-C-N 115.803 -0.635 . . . . 0.0 110.408 177.277 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 43.8 m -87.96 143.86 26.87 Favored 'General case' 0 C--N 1.318 -0.785 0 N-CA-C 108.63 -0.878 . . . . 0.0 108.63 170.118 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 11.2 p -58.35 -33.56 47.97 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.383 0 O-C-N 123.12 0.263 . . . . 0.0 111.498 -172.949 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -62.13 -55.35 28.43 Favored Glycine 0 N--CA 1.45 -0.417 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.002 178.324 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 26' ' ' TYR . . . . . . . . . . . . . 70.5 t80 -68.75 -33.94 74.75 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.561 0.219 . . . . 0.0 110.917 179.855 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -58.6 -49.47 77.35 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-O 120.843 0.354 . . . . 0.0 110.535 178.147 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 9.2 m -70.71 -31.13 67.88 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.722 179.096 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 39.5 tt0 -65.59 -47.0 77.25 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 121.094 0.473 . . . . 0.0 110.249 176.823 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 10.3 tt -64.18 -37.93 89.24 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 115.722 -0.672 . . . . 0.0 109.721 176.771 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -62.73 -44.18 96.89 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 115.967 -0.56 . . . . 0.0 110.636 176.756 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 60.2 tttp -68.09 -31.32 70.86 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.384 -0.371 . . . . 0.0 110.586 179.003 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 33' ' ' MET . . . . . . . . . . . . . 11.9 tmm? -64.48 -52.55 57.32 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.049 174.905 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 34' ' ' PHE . . . . . 0.453 ' CG ' HD12 ' A' ' 38' ' ' ILE . 3.7 m-85 -56.67 -39.76 74.33 Favored 'General case' 0 N--CA 1.462 0.15 0 CA-C-N 116.015 -0.539 . . . . 0.0 110.196 173.883 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 35' ' ' ASP . . . . . 0.783 ' HA ' ' HG ' ' A' ' 39' ' ' LEU . 9.7 t70 -60.24 -67.05 0.43 Allowed 'General case' 0 C--N 1.324 -0.512 0 CA-C-N 115.268 -0.878 . . . . 0.0 111.382 -179.262 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 30.5 t70 -62.69 -36.28 82.42 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-N 115.553 -0.749 . . . . 0.0 112.519 -167.505 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 45.0 m-20 -100.93 -52.54 3.27 Favored 'General case' 0 C--N 1.324 -0.533 0 C-N-CA 120.743 -0.383 . . . . 0.0 111.942 -175.603 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 38' ' ' ILE . . . . . 0.571 HG12 HG13 ' A' ' 58' ' ' VAL . 15.8 mt -78.54 -35.01 18.43 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.641 0 N-CA-C 112.536 0.569 . . . . 0.0 112.536 -169.485 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 39' ' ' LEU . . . . . 0.783 ' HG ' ' HA ' ' A' ' 35' ' ' ASP . 19.6 mt -64.75 -47.19 75.84 Favored Pre-proline 0 CA--C 1.534 0.339 0 N-CA-C 113.043 0.757 . . . . 0.0 113.043 -174.068 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 40' ' ' PRO . . . . . 0.499 ' HD2' ' N ' ' A' ' 39' ' ' LEU . 26.7 Cg_endo -63.44 -15.57 49.27 Favored 'Trans proline' 0 C--N 1.353 0.808 0 C-N-CA 121.603 1.535 . . . . 0.0 112.546 176.857 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 41' ' ' ILE . . . . . 0.692 HG22 HG23 ' A' ' 42' ' ' ILE . 57.6 mt -91.07 -61.33 1.99 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 116.529 -0.305 . . . . 0.0 110.929 -179.171 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 42' ' ' ILE . . . . . 0.692 HG23 HG22 ' A' ' 41' ' ' ILE . 7.8 pt -130.74 -3.09 2.33 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.24 0 N-CA-C 112.702 0.63 . . . . 0.0 112.702 -177.263 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 43' ' ' GLY . . . . . 0.569 ' HA3' ' HA ' ' A' ' 39' ' ' LEU . . . -60.54 -34.75 87.1 Favored Glycine 0 N--CA 1.453 -0.176 0 C-N-CA 120.354 -0.927 . . . . 0.0 112.527 -176.485 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -85.35 4.65 85.31 Favored Glycine 0 N--CA 1.445 -0.707 0 C-N-CA 120.636 -0.792 . . . . 0.0 112.612 179.757 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 88.4 mt -94.97 169.37 10.18 Favored 'General case' 0 N--CA 1.449 -0.498 0 CA-C-O 120.991 0.424 . . . . 0.0 110.443 -179.933 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 46' ' ' GLU . . . . . 0.466 ' HG2' ' H ' ' A' ' 48' ' ' GLN . 40.0 tt0 -87.25 138.3 31.6 Favored 'General case' 0 C--N 1.32 -0.717 0 N-CA-C 109.299 -0.63 . . . . 0.0 109.299 177.789 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 47' ' ' ILE . . . . . 0.517 HD11 ' HA ' ' A' ' 82' ' ' PHE . 15.7 tt -64.05 -20.87 27.6 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.421 0 CA-C-O 121.133 0.492 . . . . 0.0 111.4 -173.754 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 48' ' ' GLN . . . . . 0.466 ' H ' ' HG2' ' A' ' 46' ' ' GLU . 79.7 mt-30 -85.42 -16.05 41.01 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 116.09 -0.505 . . . . 0.0 111.37 179.47 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 17.9 t70 -136.13 84.22 2.06 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-O 121.119 0.485 . . . . 0.0 110.935 -175.268 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 50' ' ' ILE . . . . . . . . . . . . . 78.9 mt -130.67 132.46 64.27 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.662 0 CA-C-N 115.696 -0.684 . . . . 0.0 109.741 176.324 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 37.7 mt-10 -71.38 140.04 84.65 Favored Pre-proline 0 C--N 1.327 -0.391 0 CA-C-N 116.665 -0.243 . . . . 0.0 110.571 -179.517 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 52' ' ' PRO . . . . . 0.694 ' HB3' ' HB3' ' A' ' 98' ' ' ASP . 41.4 Cg_exo -57.27 -34.69 98.28 Favored 'Trans proline' 0 C--N 1.341 0.172 0 C-N-CA 122.477 2.118 . . . . 0.0 111.177 174.457 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 53' ' ' MET . . . . . . . . . . . . . 89.4 mtp -66.32 -36.03 81.9 Favored 'General case' 0 C--O 1.223 -0.294 0 CA-C-N 115.552 -0.749 . . . . 0.0 110.621 178.506 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 77.8 mt-30 -75.32 -39.18 59.77 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 116.255 -0.43 . . . . 0.0 111.196 -178.803 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 21.7 tp -66.49 -33.92 76.76 Favored 'General case' 0 C--N 1.323 -0.573 0 N-CA-C 109.269 -0.641 . . . . 0.0 109.269 176.399 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 2.6 tm? -70.3 -36.17 74.17 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 115.821 -0.627 . . . . 0.0 109.787 174.777 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 57' ' ' GLU . . . . . 0.459 ' CD ' HH21 ' A' ' 60' ' ' ARG . 5.9 tp10 -61.38 -34.26 75.04 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 120.941 0.401 . . . . 0.0 109.945 177.886 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 58' ' ' VAL . . . . . 0.571 HG13 HG12 ' A' ' 38' ' ' ILE . 61.7 t -60.54 -55.49 24.06 Favored 'Isoleucine or valine' 0 C--O 1.236 0.35 0 CA-C-O 121.502 0.668 . . . . 0.0 110.352 173.801 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 59' ' ' ILE . . . . . . . . . . . . . 1.7 mp -57.89 -45.34 87.57 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.57 0 CA-C-N 115.398 -0.819 . . . . 0.0 110.521 178.887 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 60' ' ' ARG . . . . . 0.459 HH21 ' CD ' ' A' ' 57' ' ' GLU . 13.8 ttp180 -69.92 -24.94 63.45 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 115.875 -0.602 . . . . 0.0 110.758 -177.923 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 61' ' ' ARG . . . . . 0.448 ' HB3' ' O ' ' A' ' 58' ' ' VAL . 16.1 tpt180 -60.39 -42.94 96.96 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.062 -0.517 . . . . 0.0 109.61 174.943 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 62' ' ' PHE . . . . . . . . . . . . . 93.9 m-85 -73.66 -32.22 63.87 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 115.816 -0.629 . . . . 0.0 110.994 176.399 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 41.2 mt-10 -68.91 -20.67 64.24 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.482 -0.326 . . . . 0.0 111.425 179.214 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 18.4 t70 -63.66 -41.05 98.25 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 121.128 0.49 . . . . 0.0 110.524 176.695 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 80.4 mtm-85 -87.48 -15.99 36.06 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-N 115.865 -0.607 . . . . 0.0 110.265 179.172 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 92.78 19.75 36.23 Favored Glycine 0 N--CA 1.452 -0.293 0 C-N-CA 120.97 -0.633 . . . . 0.0 112.511 177.209 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -82.79 77.41 9.54 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-O 120.888 0.375 . . . . 0.0 110.568 -179.647 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 68' ' ' MET . . . . . 0.549 ' HA ' ' CE ' ' A' ' 68' ' ' MET . 7.0 mmt -60.23 -42.16 94.62 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 115.999 -0.546 . . . . 0.0 111.377 -177.29 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 27.4 mt-10 -63.36 -46.31 87.13 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-N 115.979 -0.555 . . . . 0.0 110.4 -177.897 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 95.0 mtt180 -77.35 -26.49 52.07 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 115.852 -0.613 . . . . 0.0 111.283 -176.567 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -67.37 -47.66 69.73 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 121.054 0.454 . . . . 0.0 110.371 176.413 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 72' ' ' ASN . . . . . . . . . . . . . 88.8 m-20 -69.52 -31.1 69.12 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 115.964 -0.562 . . . . 0.0 110.652 178.573 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 74.5 tttt -74.8 -33.04 62.17 Favored 'General case' 0 N--CA 1.453 -0.311 0 CA-C-N 116.394 -0.366 . . . . 0.0 110.1 178.495 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -59.49 -48.26 82.34 Favored 'General case' 0 CA--C 1.519 -0.236 0 N-CA-C 109.677 -0.49 . . . . 0.0 109.677 174.221 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 75' ' ' ARG . . . . . 0.408 ' NH2' ' HB2' ' A' ' 100' ' ' ALA . 72.2 ttt180 -54.68 -51.64 64.86 Favored 'General case' 0 C--O 1.234 0.27 0 CA-C-N 115.873 -0.603 . . . . 0.0 110.774 176.297 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 23.2 mtp180 -59.61 -53.85 53.23 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 115.967 -0.56 . . . . 0.0 111.907 -179.049 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 77' ' ' ARG . . . . . 0.484 ' O ' HG23 ' A' ' 81' ' ' VAL . 21.3 mmt180 -71.83 -32.55 67.65 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-N 116.435 -0.348 . . . . 0.0 111.901 -172.445 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 78' ' ' CYS . . . . . . . . . . . . . 99.5 m -63.81 -46.38 85.39 Favored 'General case' 0 C--N 1.329 -0.295 0 N-CA-C 109.231 -0.655 . . . . 0.0 109.231 172.342 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . -60.82 -27.51 66.81 Favored Glycine 0 N--CA 1.448 -0.502 0 C-N-CA 120.938 -0.649 . . . . 0.0 111.848 175.569 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 31.2 tt0 -73.81 -37.65 64.82 Favored 'General case' 0 C--N 1.329 -0.317 0 N-CA-C 110.238 -0.282 . . . . 0.0 110.238 177.208 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 81' ' ' VAL . . . . . 0.484 HG23 ' O ' ' A' ' 77' ' ' ARG . 86.0 t -61.8 -45.6 98.34 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.229 0 N-CA-C 109.573 -0.528 . . . . 0.0 109.573 172.919 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 82' ' ' PHE . . . . . 0.517 ' HA ' HD11 ' A' ' 47' ' ' ILE . 57.8 m-85 -58.29 -49.88 75.59 Favored 'General case' 0 C--N 1.332 -0.18 0 CA-C-N 115.906 -0.588 . . . . 0.0 110.402 174.493 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 83' ' ' ARG . . . . . 0.525 ' O ' HG23 ' A' ' 87' ' ' VAL . 4.9 ttp180 -58.33 -41.25 84.14 Favored 'General case' 0 C--N 1.332 -0.188 0 CA-C-N 115.954 -0.566 . . . . 0.0 111.268 179.474 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 84' ' ' TYR . . . . . . . . . . . . . 61.9 t80 -61.47 -40.27 93.91 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-O 121.105 0.479 . . . . 0.0 110.162 178.742 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 85' ' ' ALA . . . . . 0.527 ' HA ' HG22 ' A' ' 88' ' ' THR . . . -71.48 -29.59 65.01 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 115.842 -0.617 . . . . 0.0 110.933 178.423 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 86' ' ' ILE . . . . . 0.502 HG13 ' O ' ' A' ' 82' ' ' PHE . 81.2 mt -66.86 -43.26 89.67 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.395 0 CA-C-O 121.026 0.441 . . . . 0.0 109.956 174.401 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 87' ' ' VAL . . . . . 0.525 HG23 ' O ' ' A' ' 83' ' ' ARG . 91.2 t -63.47 -43.0 98.21 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 115.834 -0.621 . . . . 0.0 111.061 179.149 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 88' ' ' THR . . . . . 0.527 HG22 ' HA ' ' A' ' 85' ' ' ALA . 3.5 t -73.32 -14.5 61.31 Favored 'General case' 0 CA--C 1.537 0.459 0 CA-C-O 121.077 0.465 . . . . 0.0 110.443 -179.966 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . 86.26 27.64 30.05 Favored Glycine 0 C--N 1.331 0.305 0 C-N-CA 120.995 -0.621 . . . . 0.0 113.377 174.967 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 74.7 mtt180 -120.79 7.95 10.51 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-O 121.02 0.438 . . . . 0.0 111.167 179.002 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . -140.1 134.9 31.96 Favored 'General case' 0 C--N 1.323 -0.573 0 N-CA-C 109.238 -0.653 . . . . 0.0 109.238 170.658 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 97.8 mttt -91.27 -47.22 7.61 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-O 120.689 0.28 . . . . 0.0 111.354 -175.427 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 93' ' ' TYR . . . . . . . . . . . . . 12.7 p90 -138.79 162.68 34.13 Favored 'General case' 0 C--N 1.323 -0.586 0 N-CA-C 109.974 -0.38 . . . . 0.0 109.974 -179.111 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 94' ' ' ASN . . . . . 0.437 ' HB3' ' HB3' ' A' ' 82' ' ' PHE . 27.6 p-10 -119.34 135.76 24.17 Favored Pre-proline 0 C--N 1.32 -0.685 0 CA-C-N 116.187 -0.461 . . . . 0.0 109.931 177.237 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 95' ' ' PRO . . . . . . . . . . . . . 72.8 Cg_endo -75.88 32.99 0.39 Allowed 'Trans proline' 0 CA--C 1.53 0.31 0 C-N-CA 122.788 2.325 . . . . 0.0 113.076 -177.919 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 96' ' ' ALA . . . . . 0.583 ' N ' ' HD2' ' A' ' 97' ' ' PRO . . . -66.52 -44.74 56.78 Favored Pre-proline 0 C--N 1.327 -0.412 0 CA-C-N 116.478 -0.328 . . . . 0.0 111.879 179.315 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 97' ' ' PRO . . . . . 0.583 ' HD2' ' N ' ' A' ' 96' ' ' ALA . 16.1 Cg_endo -58.31 -43.58 45.58 Favored 'Trans proline' 0 C--N 1.357 0.997 0 C-N-CA 122.068 1.845 . . . . 0.0 112.152 174.588 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 98' ' ' ASP . . . . . 0.694 ' HB3' ' HB3' ' A' ' 52' ' ' PRO . 2.1 m-20 -70.05 -32.21 70.21 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.419 -0.355 . . . . 0.0 111.123 178.902 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 99' ' ' LEU . . . . . . . . . . . . . 3.2 tm? -58.0 -50.66 72.65 Favored 'General case' 0 C--N 1.328 -0.338 0 N-CA-C 109.203 -0.665 . . . . 0.0 109.203 173.182 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 100' ' ' ALA . . . . . 0.575 ' O ' ' HG3' ' A' ' 104' ' ' LYS . . . -63.72 -42.55 97.91 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 115.566 -0.743 . . . . 0.0 110.719 179.059 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 12.4 t70 -64.77 -40.22 94.91 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.867 -178.285 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -65.71 -37.25 85.91 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.427 177.794 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 103' ' ' MET . . . . . . . . . . . . . 46.5 ttm -64.06 -38.01 89.51 Favored 'General case' 0 C--N 1.323 -0.571 0 CA-C-N 116.012 -0.54 . . . . 0.0 110.392 177.613 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 104' ' ' LYS . . . . . 0.575 ' HG3' ' O ' ' A' ' 100' ' ' ALA . 78.1 mttt -79.05 -27.02 43.07 Favored 'General case' 0 N--CA 1.464 0.257 0 CA-C-N 115.959 -0.564 . . . . 0.0 110.814 179.117 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 105' ' ' GLY . . . . . . . . . . . . . . . -94.13 -16.2 45.12 Favored Glycine 0 N--CA 1.446 -0.648 0 C-N-CA 120.811 -0.709 . . . . 0.0 113.003 -174.534 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 106' ' ' TYR . . . . . . . . . . . . . 12.3 t80 -71.03 -22.08 62.19 Favored 'General case' 0 C--N 1.323 -0.549 0 CA-C-N 117.059 0.429 . . . . 0.0 110.262 -178.786 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 107' ' ' ARG . . . . . 0.411 ' HG2' ' O ' ' A' ' 104' ' ' LYS . 13.2 ptt180 -79.87 -16.71 54.83 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.977 0.418 . . . . 0.0 109.997 175.771 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 108' ' ' LYS . . . . . . . . . . . . . 88.4 mttt -79.37 -38.69 34.38 Favored 'General case' 0 CA--C 1.517 -0.29 0 N-CA-C 108.387 -0.968 . . . . 0.0 108.387 171.311 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 109' ' ' LYS . . . . . . . . . . . . . 87.4 mttt 64.86 77.99 0.3 Allowed 'General case' 0 CA--C 1.519 -0.216 0 CA-C-N 114.021 -1.445 . . . . 0.0 110.839 -174.342 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 110' ' ' ASN . . . . . . . . . . . . . 15.9 m120 -72.0 -50.67 26.73 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 115.396 -0.82 . . . . 0.0 108.862 175.453 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 111' ' ' LEU . . . . . . . . . . . . . 68.1 mt 54.94 45.68 25.95 Favored 'General case' 0 N--CA 1.462 0.141 0 CA-C-N 115.224 -0.898 . . . . 0.0 110.955 174.622 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 112' ' ' GLU . . . . . . . . . . . . . 31.3 mt-10 -72.53 -12.67 61.17 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-N 115.649 -0.705 . . . . 0.0 111.161 -174.784 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 113' ' ' HIS . . . . . . . . . . . . . 14.5 m170 -83.59 4.65 27.33 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 115.985 -0.552 . . . . 0.0 110.372 175.154 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 114' ' ' HIS . . . . . . . . . . . . . 17.6 m80 -141.6 108.35 5.38 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 115.745 -0.661 . . . . 0.0 109.999 174.063 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 115' ' ' HIS . . . . . . . . . . . . . 85.8 m-70 -74.3 107.5 6.5 Favored 'General case' 0 C--N 1.322 -0.625 0 CA-C-O 121.217 0.532 . . . . 0.0 110.09 -178.738 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 116' ' ' HIS . . . . . . . . . . . . . 1.0 OUTLIER -89.18 130.97 35.51 Favored 'General case' 0 C--N 1.32 -0.678 0 CA-C-N 115.635 -0.712 . . . . 0.0 110.688 -172.107 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 117' ' ' HIS . . . . . . . . . . . . . 43.1 m-70 -132.63 158.7 41.58 Favored 'General case' 0 C--N 1.321 -0.647 0 CA-C-N 115.805 -0.634 . . . . 0.0 109.945 178.328 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 118' ' ' HIS . . . . . . . . . . . . . 42.3 m170 . . . . . 0 C--O 1.246 0.89 0 CA-C-O 118.464 -0.779 . . . . 0.0 109.491 175.536 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 20.9 m . . . . . 0 N--CA 1.477 0.921 0 CA-C-O 121.192 0.52 . . . . 0.0 110.229 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 30.8 p -77.18 104.66 7.81 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-N 115.685 -0.689 . . . . 0.0 110.561 -178.851 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 3' ' ' ASN . . . . . . . . . . . . . 91.5 m-20 -110.0 86.49 2.31 Favored 'General case' 0 C--N 1.322 -0.591 0 CA-C-O 121.143 0.497 . . . . 0.0 109.86 179.37 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 4' ' ' ASN . . . . . . . . . . . . . 7.0 m-20 -95.93 166.52 11.74 Favored 'General case' 0 C--N 1.323 -0.586 0 CA-C-N 115.557 -0.747 . . . . 0.0 110.777 -176.756 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 12.6 m120 -108.52 17.03 22.49 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.666 -178.742 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . 0.541 ' HA ' ' HA ' ' A' ' 46' ' ' GLU . 4.7 p -70.73 147.3 49.18 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.111 177.542 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 7' ' ' PHE . . . . . 0.665 ' HE1' ' HZ ' ' A' ' 34' ' ' PHE . 15.3 t80 -64.12 -40.61 96.57 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 116.266 -0.424 . . . . 0.0 110.653 -175.571 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 20.4 p -57.58 -45.68 84.94 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.373 -0.376 . . . . 0.0 111.303 179.07 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -63.21 -50.15 71.41 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.156 -0.474 . . . . 0.0 111.473 -178.109 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 10' ' ' ILE . . . . . 0.432 HD12 HG21 ' A' ' 47' ' ' ILE . 57.5 mt -68.4 -37.33 77.7 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.386 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.826 -177.938 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 11' ' ' TYR . . . . . 0.46 ' OH ' ' HA ' ' A' ' 31' ' ' ALA . 87.5 t80 -58.94 -38.7 79.6 Favored 'General case' 0 C--O 1.223 -0.325 0 N-CA-C 110.165 -0.309 . . . . 0.0 110.165 174.621 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 84.6 tttt -67.4 -40.38 85.63 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.594 -0.276 . . . . 0.0 110.871 -178.463 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 13' ' ' GLU . . . . . 0.47 ' O ' ' HD2' ' A' ' 17' ' ' HIS . 37.6 tt0 -64.07 -50.57 67.86 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 121.081 0.467 . . . . 0.0 109.794 177.153 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 14' ' ' TRP . . . . . . . . . . . . . 69.1 t90 -57.26 -44.24 83.76 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 115.502 -0.772 . . . . 0.0 110.285 176.847 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 15' ' ' TYR . . . . . 0.511 ' CE1' ' HB2' ' A' ' 31' ' ' ALA . 42.1 t80 -61.52 -46.94 87.81 Favored 'General case' 0 C--O 1.222 -0.364 0 CA-C-N 115.79 -0.641 . . . . 0.0 111.472 178.253 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 28.6 tt0 -59.55 -41.34 89.88 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.82 0.343 . . . . 0.0 110.658 -176.918 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 17' ' ' HIS . . . . . 0.47 ' HD2' ' O ' ' A' ' 13' ' ' GLU . 70.1 m-70 -67.48 -42.22 83.29 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.608 177.929 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 39.4 mmtm -69.18 -27.41 65.49 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-O 120.924 0.392 . . . . 0.0 111.086 178.36 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 37.7 ttpt -65.07 -23.41 67.17 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-N 116.024 -0.534 . . . . 0.0 110.452 178.848 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 90.8 mt-30 -80.69 -17.43 51.13 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-N 115.917 -0.583 . . . . 0.0 110.094 177.975 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 50.5 t -93.83 -51.4 11.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 115.59 -0.732 . . . . 0.0 110.668 -179.222 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 22' ' ' TRP . . . . . . . . . . . . . 11.9 m0 -81.82 171.68 14.23 Favored 'General case' 0 C--N 1.322 -0.623 0 CA-C-N 115.852 -0.613 . . . . 0.0 110.581 -178.176 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 11.6 p -76.05 142.86 41.69 Favored 'General case' 0 C--N 1.323 -0.583 0 CA-C-N 115.916 -0.583 . . . . 0.0 109.568 173.254 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 14.2 p -57.19 -36.77 52.9 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.351 0 N-CA-C 111.741 0.275 . . . . 0.0 111.741 -175.941 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -64.18 -43.31 97.3 Favored Glycine 0 N--CA 1.451 -0.358 0 C-N-CA 120.79 -0.719 . . . . 0.0 112.008 178.933 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 26' ' ' TYR . . . . . . . . . . . . . 78.1 t80 -71.27 -40.25 71.06 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-O 121.001 0.429 . . . . 0.0 109.972 178.712 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -60.45 -46.75 88.94 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 115.766 -0.652 . . . . 0.0 111.186 179.982 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 94.6 m -59.86 -44.77 93.96 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.678 -0.237 . . . . 0.0 111.169 178.438 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 32.3 tt0 -62.18 -44.83 95.73 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-O 120.888 0.375 . . . . 0.0 110.536 -179.623 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 8.8 tt -63.15 -45.3 92.54 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 115.693 -0.685 . . . . 0.0 110.696 -179.148 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 31' ' ' ALA . . . . . 0.511 ' HB2' ' CE1' ' A' ' 15' ' ' TYR . . . -68.96 -47.33 65.89 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.074 -0.512 . . . . 0.0 111.313 -178.562 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 64.7 tttm -60.14 -39.49 86.5 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.928 0.394 . . . . 0.0 110.731 -179.481 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 33' ' ' MET . . . . . 0.639 ' SD ' ' HD3' ' A' ' 70' ' ' ARG . 45.8 ttp -60.16 -39.4 86.28 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-O 121.211 0.529 . . . . 0.0 110.26 176.835 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 34' ' ' PHE . . . . . 0.665 ' HZ ' ' HE1' ' A' ' 7' ' ' PHE . 18.8 t80 -67.29 -46.8 72.52 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 115.753 -0.658 . . . . 0.0 109.644 178.179 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 35' ' ' ASP . . . . . 0.511 ' O ' ' HB2' ' A' ' 39' ' ' LEU . 18.4 m-20 -57.42 -54.2 49.47 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-N 116.063 -0.517 . . . . 0.0 110.984 177.307 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 10.2 m-20 -53.88 -60.15 3.69 Favored 'General case' 0 C--N 1.326 -0.426 0 N-CA-C 112.608 0.595 . . . . 0.0 112.608 -173.596 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 68.5 m-20 -90.05 -40.56 12.22 Favored 'General case' 0 C--N 1.323 -0.577 0 C-N-CA 120.639 -0.424 . . . . 0.0 112.041 -172.856 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 38' ' ' ILE . . . . . 0.566 HD12 ' CD2' ' A' ' 34' ' ' PHE . 15.6 mt -88.27 -32.07 5.88 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.634 0 N-CA-C 112.634 0.605 . . . . 0.0 112.634 -167.244 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 39' ' ' LEU . . . . . 0.521 HD22 ' HA3' ' A' ' 43' ' ' GLY . 0.2 OUTLIER -60.74 -49.35 89.94 Favored Pre-proline 0 CA--C 1.538 0.513 0 C-N-CA 120.949 -0.301 . . . . 0.0 111.773 -175.282 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 40' ' ' PRO . . . . . 0.472 ' HD2' ' N ' ' A' ' 39' ' ' LEU . 41.5 Cg_endo -68.15 -1.38 7.02 Favored 'Trans proline' 0 C--N 1.353 0.78 0 C-N-CA 121.791 1.661 . . . . 0.0 112.902 178.329 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 41' ' ' ILE . . . . . 0.44 HG22 HG23 ' A' ' 42' ' ' ILE . 37.2 mm -102.46 -59.73 3.22 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.404 0 C-N-CA 121.225 -0.19 . . . . 0.0 110.825 179.223 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 42' ' ' ILE . . . . . 0.44 HG23 HG22 ' A' ' 41' ' ' ILE . 5.2 pt -129.04 -1.16 3.03 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.252 0 N-CA-C 112.061 0.393 . . . . 0.0 112.061 -178.162 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 43' ' ' GLY . . . . . 0.521 ' HA3' HD22 ' A' ' 39' ' ' LEU . . . -61.77 -35.33 91.1 Favored Glycine 0 N--CA 1.453 -0.232 0 C-N-CA 120.685 -0.769 . . . . 0.0 112.721 -174.326 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -88.08 -0.35 83.19 Favored Glycine 0 N--CA 1.447 -0.571 0 C-N-CA 120.695 -0.764 . . . . 0.0 112.709 -179.646 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 91.2 mt -88.37 164.63 15.44 Favored 'General case' 0 C--N 1.327 -0.377 0 N-CA-C 109.776 -0.454 . . . . 0.0 109.776 -179.474 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 46' ' ' GLU . . . . . 0.541 ' HA ' ' HA ' ' A' ' 6' ' ' SER . 42.8 mt-10 -89.29 140.14 29.79 Favored 'General case' 0 C--N 1.321 -0.637 0 N-CA-C 109.657 -0.497 . . . . 0.0 109.657 177.185 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 47' ' ' ILE . . . . . 0.432 HG21 HD12 ' A' ' 10' ' ' ILE . 16.5 tt -64.36 -18.21 22.57 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.611 0 CA-C-O 121.233 0.54 . . . . 0.0 111.499 -173.226 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 85.1 mt-30 -85.83 -20.71 28.74 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-N 116.036 -0.529 . . . . 0.0 110.88 -178.422 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 14.6 t70 -132.99 83.92 2.1 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-O 121.146 0.498 . . . . 0.0 110.618 -174.873 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 50' ' ' ILE . . . . . . . . . . . . . 51.7 mt -132.04 124.06 52.19 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.65 0 CA-C-N 115.67 -0.696 . . . . 0.0 109.941 175.742 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 51' ' ' GLU . . . . . 0.672 ' HG3' ' HB2' ' A' ' 54' ' ' GLN . 9.1 pt-20 -73.59 138.84 77.43 Favored Pre-proline 0 C--N 1.321 -0.638 0 CA-C-N 115.8 -0.636 . . . . 0.0 110.205 177.758 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 52' ' ' PRO . . . . . 0.445 ' HB3' ' HB3' ' A' ' 98' ' ' ASP . 11.2 Cg_endo -55.57 -35.15 92.06 Favored 'Trans proline' 0 C--N 1.344 0.296 0 C-N-CA 123.05 2.5 . . . . 0.0 113.022 -176.786 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 53' ' ' MET . . . . . . . . . . . . . 66.7 mtt -71.25 -27.67 63.62 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.551 -0.295 . . . . 0.0 111.009 -177.94 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 54' ' ' GLN . . . . . 0.672 ' HB2' ' HG3' ' A' ' 51' ' ' GLU . 44.2 tp60 -75.29 -41.82 56.21 Favored 'General case' 0 C--N 1.327 -0.403 0 N-CA-C 109.49 -0.559 . . . . 0.0 109.49 178.02 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 55' ' ' LEU . . . . . 0.544 ' O ' ' HB ' ' A' ' 58' ' ' VAL . 38.9 tp -64.67 -36.41 84.19 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-O 121.477 0.656 . . . . 0.0 109.437 175.365 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 56' ' ' LEU . . . . . 0.544 HD11 ' HE ' ' A' ' 60' ' ' ARG . 2.7 tm? -67.65 -32.34 72.96 Favored 'General case' 0 C--N 1.326 -0.413 0 CA-C-N 115.446 -0.797 . . . . 0.0 110.24 176.979 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 33.0 tt0 -64.29 -31.92 73.32 Favored 'General case' 0 N--CA 1.454 -0.266 0 N-CA-C 109.875 -0.417 . . . . 0.0 109.875 176.936 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 58' ' ' VAL . . . . . 0.552 HG13 HG12 ' A' ' 38' ' ' ILE . 43.8 t -58.72 -54.36 34.67 Favored 'Isoleucine or valine' 0 C--O 1.236 0.359 0 CA-C-O 121.203 0.525 . . . . 0.0 110.238 171.561 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 59' ' ' ILE . . . . . . . . . . . . . 1.8 mp -55.17 -45.11 77.21 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 115.581 -0.736 . . . . 0.0 110.876 178.713 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 60' ' ' ARG . . . . . 0.544 ' HE ' HD11 ' A' ' 56' ' ' LEU . 74.5 mtt-85 -80.74 -9.69 59.78 Favored 'General case' 0 C--N 1.328 -0.364 0 N-CA-C 112.109 0.411 . . . . 0.0 112.109 -177.871 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 47.9 tpt85 -69.37 -39.55 77.99 Favored 'General case' 0 C--N 1.324 -0.506 0 N-CA-C 108.715 -0.846 . . . . 0.0 108.715 171.748 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 62' ' ' PHE . . . . . . . . . . . . . 75.5 m-85 -71.73 -33.25 68.56 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-N 115.692 -0.685 . . . . 0.0 110.263 172.594 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 63' ' ' GLU . . . . . 0.447 ' CB ' ' HA ' ' A' ' 60' ' ' ARG . 33.4 tt0 -58.64 -53.65 55.97 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.014 -0.539 . . . . 0.0 110.726 177.915 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 1.6 p30 -69.78 -20.37 63.48 Favored 'General case' 0 N--CA 1.465 0.292 0 C-N-CA 120.994 -0.283 . . . . 0.0 110.952 -179.931 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 36.7 ttt180 -76.73 -22.36 53.96 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 121.203 0.525 . . . . 0.0 110.015 175.959 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 104.75 -8.1 46.31 Favored Glycine 0 N--CA 1.447 -0.589 0 CA-C-N 115.781 -0.645 . . . . 0.0 112.571 177.77 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -89.18 107.38 19.02 Favored 'General case' 0 C--N 1.326 -0.413 0 CA-C-O 120.874 0.369 . . . . 0.0 110.942 -176.546 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 68' ' ' MET . . . . . 0.497 ' HA ' ' CE ' ' A' ' 68' ' ' MET . 3.2 mmt -85.63 -47.7 9.58 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.817 -178.002 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 18.7 tt0 -62.48 -45.31 93.62 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.054 -0.521 . . . . 0.0 110.445 -179.602 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 70' ' ' ARG . . . . . 0.639 ' HD3' ' SD ' ' A' ' 33' ' ' MET . 55.4 mtt180 -73.7 -14.5 61.15 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-N 115.815 -0.629 . . . . 0.0 111.205 -177.642 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -70.44 -42.99 70.82 Favored 'General case' 0 C--O 1.233 0.218 0 N-CA-C 109.434 -0.58 . . . . 0.0 109.434 172.09 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 72' ' ' ASN . . . . . . . . . . . . . 9.9 t30 -66.5 -36.15 82.01 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 115.787 -0.642 . . . . 0.0 109.926 174.496 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 73' ' ' LYS . . . . . 0.554 ' HB2' ' HA ' ' A' ' 70' ' ' ARG . 46.8 mttp -59.37 -37.09 77.02 Favored 'General case' 0 C--N 1.333 -0.152 0 CA-C-N 116.115 -0.493 . . . . 0.0 111.228 176.214 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -63.38 -55.85 21.11 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-O 120.96 0.41 . . . . 0.0 110.004 176.373 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 63.5 ttt180 -50.71 -50.97 53.98 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 114.935 -1.029 . . . . 0.0 111.534 179.039 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 33.5 ttt85 -63.21 -48.94 76.19 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 115.744 -0.662 . . . . 0.0 111.864 -177.535 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 77' ' ' ARG . . . . . 0.52 ' O ' HG23 ' A' ' 81' ' ' VAL . 73.6 mtm180 -63.38 -49.13 75.03 Favored 'General case' 0 CA--C 1.518 -0.287 0 C-N-CA 121.226 -0.19 . . . . 0.0 111.398 -177.693 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 78' ' ' CYS . . . . . . . . . . . . . 74.5 m -55.6 -42.57 75.02 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-O 120.745 0.307 . . . . 0.0 110.245 179.159 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . -57.95 -39.89 92.46 Favored Glycine 0 N--CA 1.448 -0.533 0 CA-C-N 115.968 -0.56 . . . . 0.0 112.585 177.558 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 33.0 tt0 -76.47 -30.85 57.46 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.916 0.358 . . . . 0.0 110.722 179.498 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 81' ' ' VAL . . . . . 0.52 HG23 ' O ' ' A' ' 77' ' ' ARG . 93.0 t -62.3 -44.12 98.8 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 N-CA-C 109.65 -0.5 . . . . 0.0 109.65 173.764 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 82' ' ' PHE . . . . . 0.551 ' O ' HG13 ' A' ' 86' ' ' ILE . 41.0 m-85 -59.02 -48.03 83.08 Favored 'General case' 0 C--N 1.332 -0.192 0 CA-C-N 115.812 -0.631 . . . . 0.0 109.933 172.865 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 83' ' ' ARG . . . . . 0.452 ' O ' HG23 ' A' ' 87' ' ' VAL . 56.6 ttt180 -54.5 -51.38 65.28 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 115.537 -0.756 . . . . 0.0 110.871 177.578 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 84' ' ' TYR . . . . . . . . . . . . . 56.8 t80 -54.75 -43.64 72.91 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 115.752 -0.658 . . . . 0.0 110.464 178.944 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 85' ' ' ALA . . . . . 0.43 ' HB2' HD13 ' A' ' 47' ' ' ILE . . . -66.43 -39.69 89.08 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-N 116.069 -0.514 . . . . 0.0 111.337 179.716 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 86' ' ' ILE . . . . . 0.579 ' HA ' ' O ' ' A' ' 91' ' ' ALA . 67.6 mt -63.6 -39.97 87.32 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.355 0 CA-C-O 121.124 0.488 . . . . 0.0 110.568 178.676 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 87' ' ' VAL . . . . . 0.452 HG23 ' O ' ' A' ' 83' ' ' ARG . 63.9 t -69.94 -36.98 71.53 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.432 0 CA-C-N 115.962 -0.563 . . . . 0.0 111.08 178.755 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 88' ' ' THR . . . . . . . . . . . . . 20.6 p -83.66 -7.14 59.56 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 116.288 -0.415 . . . . 0.0 111.534 -178.163 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . 85.15 24.58 43.69 Favored Glycine 0 CA--C 1.519 0.332 0 C-N-CA 120.776 -0.726 . . . . 0.0 113.336 176.669 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 56.5 mtm180 -109.11 -4.34 16.67 Favored 'General case' 0 C--N 1.323 -0.587 0 CA-C-O 120.991 0.424 . . . . 0.0 110.764 178.574 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 91' ' ' ALA . . . . . 0.579 ' O ' ' HA ' ' A' ' 86' ' ' ILE . . . -149.38 165.11 33.03 Favored 'General case' 0 C--N 1.326 -0.418 0 N-CA-C 109.042 -0.725 . . . . 0.0 109.042 174.586 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 99.3 mttt -132.11 -12.81 3.2 Favored 'General case' 0 C--N 1.327 -0.409 0 N-CA-C 112.469 0.544 . . . . 0.0 112.469 -177.996 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 93' ' ' TYR . . . . . . . . . . . . . 18.1 p90 -146.41 163.45 35.6 Favored 'General case' 0 C--N 1.325 -0.474 0 C-N-CA 120.713 -0.395 . . . . 0.0 110.539 178.873 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 94' ' ' ASN . . . . . . . . . . . . . 6.4 m120 -108.37 134.52 20.19 Favored Pre-proline 0 C--N 1.325 -0.485 0 N-CA-C 109.497 -0.557 . . . . 0.0 109.497 175.583 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 95' ' ' PRO . . . . . . . . . . . . . 4.6 Cg_exo -77.45 11.85 2.03 Favored 'Trans proline' 0 N--CA 1.462 -0.348 0 C-N-CA 122.689 2.26 . . . . 0.0 111.38 169.919 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 96' ' ' ALA . . . . . 0.56 ' N ' ' HD2' ' A' ' 97' ' ' PRO . . . -61.71 -47.43 92.3 Favored Pre-proline 0 CA--C 1.538 0.505 0 CA-C-N 115.923 -0.58 . . . . 0.0 112.484 -178.594 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 97' ' ' PRO . . . . . 0.56 ' HD2' ' N ' ' A' ' 96' ' ' ALA . 9.5 Cg_endo -53.84 -49.5 16.98 Favored 'Trans proline' 0 C--N 1.357 0.981 0 C-N-CA 122.254 1.969 . . . . 0.0 111.839 174.925 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 98' ' ' ASP . . . . . 0.445 ' HB3' ' HB3' ' A' ' 52' ' ' PRO . 3.1 m-20 -68.71 -28.45 66.85 Favored 'General case' 0 C--N 1.326 -0.413 0 CA-C-N 115.478 -0.783 . . . . 0.0 111.007 -179.214 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 99' ' ' LEU . . . . . . . . . . . . . 3.2 tm? -58.58 -45.94 87.99 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-O 120.979 0.418 . . . . 0.0 109.884 176.092 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 100' ' ' ALA . . . . . . . . . . . . . . . -66.18 -38.88 89.09 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 115.806 -0.634 . . . . 0.0 110.711 179.585 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 31.6 t70 -69.25 -40.99 77.54 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 115.991 -0.55 . . . . 0.0 110.794 179.097 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 102' ' ' ALA . . . . . 0.411 ' HB2' ' HB2' ' A' ' 52' ' ' PRO . . . -65.25 -35.44 81.04 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.665 178.599 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 103' ' ' MET . . . . . . . . . . . . . 50.7 ttm -60.49 -38.9 85.78 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-O 121.241 0.543 . . . . 0.0 109.784 175.769 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 104' ' ' LYS . . . . . . . . . . . . . 82.2 tttt -73.12 -47.34 45.05 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 115.018 -0.992 . . . . 0.0 110.89 177.356 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 105' ' ' GLY . . . . . . . . . . . . . . . -67.33 -29.87 74.73 Favored Glycine 0 C--O 1.228 -0.224 0 CA-C-N 115.939 -0.573 . . . . 0.0 113.193 -177.176 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 106' ' ' TYR . . . . . . . . . . . . . 6.9 t80 -69.92 -16.12 63.17 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-O 121.013 0.435 . . . . 0.0 110.418 -179.759 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 107' ' ' ARG . . . . . 0.453 HH11 ' HD3' ' A' ' 107' ' ' ARG . 36.2 ttt180 -74.91 -10.19 59.25 Favored 'General case' 0 CA--C 1.533 0.301 0 CA-C-N 116.057 -0.52 . . . . 0.0 110.516 179.291 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 108' ' ' LYS . . . . . . . . . . . . . 93.0 mttt -72.14 -22.36 61.33 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.084 176.561 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 109' ' ' LYS . . . . . . . . . . . . . 68.2 mttm -86.13 140.46 30.19 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-N 115.833 -0.621 . . . . 0.0 110.574 -179.825 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 110' ' ' ASN . . . . . . . . . . . . . 13.6 m120 -114.29 126.95 55.6 Favored 'General case' 0 C--N 1.319 -0.741 0 N-CA-C 109.462 -0.57 . . . . 0.0 109.462 175.445 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 111' ' ' LEU . . . . . . . . . . . . . 63.2 tp -63.15 -44.13 96.39 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.831 -178.224 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 112' ' ' GLU . . . . . . . . . . . . . 42.4 mt-10 -79.64 92.35 5.35 Favored 'General case' 0 N--CA 1.449 -0.49 0 CA-C-O 121.193 0.521 . . . . 0.0 111.016 -179.275 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 113' ' ' HIS . . . . . . . . . . . . . 90.8 m-70 -83.6 139.8 32.62 Favored 'General case' 0 C--N 1.322 -0.601 0 N-CA-C 109.096 -0.705 . . . . 0.0 109.096 174.073 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 114' ' ' HIS . . . . . . . . . . . . . 88.8 m-70 64.38 66.22 0.62 Allowed 'General case' 0 N--CA 1.465 0.292 0 O-C-N 123.771 0.669 . . . . 0.0 110.149 -172.482 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 115' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -65.83 -42.07 91.02 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 115.815 -0.629 . . . . 0.0 111.001 179.989 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 116' ' ' HIS . . . . . . . . . . . . . 76.0 m-70 -117.9 165.14 14.05 Favored 'General case' 0 C--N 1.323 -0.552 0 CA-C-N 116.067 -0.515 . . . . 0.0 110.046 179.552 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 117' ' ' HIS . . . . . . . . . . . . . 35.8 m80 -78.57 -41.68 31.25 Favored 'General case' 0 C--N 1.324 -0.533 0 N-CA-C 109.354 -0.61 . . . . 0.0 109.354 175.837 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 118' ' ' HIS . . . . . . . . . . . . . 85.0 t60 . . . . . 0 C--O 1.248 1.014 0 CA-C-O 118.376 -0.821 . . . . 0.0 109.204 174.984 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 35.0 m . . . . . 0 N--CA 1.477 0.908 0 N-CA-C 110.124 -0.325 . . . . 0.0 110.124 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 19.6 t -67.09 112.8 4.61 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 116.513 -0.312 . . . . 0.0 110.172 179.417 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 3' ' ' ASN . . . . . . . . . . . . . 14.4 m120 63.73 89.84 0.09 Allowed 'General case' 0 N--CA 1.464 0.258 0 O-C-N 123.826 0.703 . . . . 0.0 110.65 179.625 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 4' ' ' ASN . . . . . 0.401 HD22 ' HA ' ' A' ' 4' ' ' ASN . 0.7 OUTLIER -98.48 -2.25 39.37 Favored 'General case' 0 C--N 1.323 -0.554 0 CA-C-N 116.319 -0.401 . . . . 0.0 111.59 -177.19 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 81.0 m-20 -100.54 10.82 40.66 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 116.389 -0.368 . . . . 0.0 110.4 176.609 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . 0.606 ' HA ' ' HA ' ' A' ' 46' ' ' GLU . 21.8 m -61.47 140.75 58.02 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.003 -0.544 . . . . 0.0 110.519 177.642 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 7' ' ' PHE . . . . . . . . . . . . . 55.5 t80 -58.2 -45.9 86.8 Favored 'General case' 0 C--N 1.329 -0.309 0 N-CA-C 109.754 -0.462 . . . . 0.0 109.754 178.994 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 5.6 p -54.98 -40.61 70.24 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.358 -0.383 . . . . 0.0 111.564 177.0 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -65.04 -51.92 58.78 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.438 -0.346 . . . . 0.0 111.101 -179.131 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 81.0 mt -68.04 -36.84 76.94 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.256 0 CA-C-O 120.847 0.356 . . . . 0.0 110.451 -179.875 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 11' ' ' TYR . . . . . 0.581 ' OH ' ' HA ' ' A' ' 31' ' ' ALA . 55.9 t80 -61.47 -43.55 98.66 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.808 176.272 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 56.1 tptt -58.3 -44.55 88.58 Favored 'General case' 0 C--O 1.235 0.323 0 CA-C-O 121.058 0.456 . . . . 0.0 110.304 178.515 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 44.8 tt0 -64.28 -50.73 66.74 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 115.705 -0.68 . . . . 0.0 110.284 178.28 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 14' ' ' TRP . . . . . . . . . . . . . 66.6 t90 -58.82 -43.97 90.77 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 115.566 -0.743 . . . . 0.0 111.198 179.573 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 15' ' ' TYR . . . . . 0.575 ' CE1' ' HB2' ' A' ' 31' ' ' ALA . 29.1 t80 -56.42 -60.31 3.71 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.318 -0.401 . . . . 0.0 111.38 -179.575 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 44.0 mt-10 -66.19 -25.21 66.83 Favored 'General case' 0 C--N 1.329 -0.304 0 C-N-CA 121.109 -0.236 . . . . 0.0 111.274 -175.075 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 17' ' ' HIS . . . . . . . . . . . . . 47.8 t60 -70.14 -50.16 43.27 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.883 0.373 . . . . 0.0 110.246 175.684 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 14.4 mmmm -74.17 -21.25 59.92 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.86 0.362 . . . . 0.0 110.711 -179.793 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 47.8 tttm -65.54 -22.26 66.69 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 115.972 -0.558 . . . . 0.0 110.634 176.79 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 96.1 mt-30 -88.74 5.22 44.45 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-O 121.334 0.588 . . . . 0.0 110.141 177.483 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 46.7 t -117.19 -41.56 2.75 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.377 0 CA-C-N 115.401 -0.818 . . . . 0.0 109.948 177.81 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 22' ' ' TRP . . . . . . . . . . . . . 29.2 m0 -82.61 -173.28 4.53 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 115.856 -0.611 . . . . 0.0 110.775 178.673 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 13.1 m -96.46 159.37 14.98 Favored 'General case' 0 C--N 1.323 -0.549 0 N-CA-C 109.033 -0.728 . . . . 0.0 109.033 173.873 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 14.9 p -63.5 -45.62 97.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 N-CA-C 111.936 0.347 . . . . 0.0 111.936 -172.258 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -64.2 -49.01 69.1 Favored Glycine 0 C--N 1.332 0.328 0 C-N-CA 120.743 -0.742 . . . . 0.0 112.076 -179.228 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 26' ' ' TYR . . . . . . . . . . . . . 88.4 t80 -57.47 -44.73 85.08 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-O 120.787 0.327 . . . . 0.0 110.735 178.172 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -65.11 -41.82 94.53 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.364 -0.38 . . . . 0.0 110.887 -179.522 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 53.0 m -64.34 -43.99 92.87 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.357 -0.383 . . . . 0.0 111.061 -179.604 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 49.5 mt-10 -62.95 -46.03 89.67 Favored 'General case' 0 C--O 1.233 0.218 0 CA-C-O 120.715 0.293 . . . . 0.0 111.0 179.126 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 9.7 tt -62.42 -40.7 97.4 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.038 -0.528 . . . . 0.0 110.411 179.054 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 31' ' ' ALA . . . . . 0.581 ' HA ' ' OH ' ' A' ' 11' ' ' TYR . . . -64.0 -47.03 81.95 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 115.841 -0.618 . . . . 0.0 111.615 -178.965 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 54.6 tttp -66.94 -29.93 69.93 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-O 120.816 0.341 . . . . 0.0 110.747 -179.255 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 33' ' ' MET . . . . . 0.443 ' SD ' ' HD2' ' A' ' 70' ' ' ARG . 58.0 ttp -59.21 -44.34 92.27 Favored 'General case' 0 C--N 1.329 -0.326 0 N-CA-C 109.701 -0.481 . . . . 0.0 109.701 174.439 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 34' ' ' PHE . . . . . 0.525 ' CD2' HD12 ' A' ' 38' ' ' ILE . 16.5 m-85 -67.24 -38.63 85.52 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 115.74 -0.664 . . . . 0.0 110.919 176.249 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 35' ' ' ASP . . . . . 0.542 ' HA ' ' HB2' ' A' ' 39' ' ' LEU . 21.2 m-20 -60.38 -63.52 1.27 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.737 0.303 . . . . 0.0 111.122 178.749 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 1.4 m-20 -61.42 -50.32 73.3 Favored 'General case' 0 C--N 1.325 -0.487 0 N-CA-C 113.168 0.803 . . . . 0.0 113.168 -171.306 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 20.1 m-20 -93.38 -28.04 16.4 Favored 'General case' 0 C--N 1.324 -0.528 0 N-CA-C 112.661 0.615 . . . . 0.0 112.661 -171.525 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 38' ' ' ILE . . . . . 0.546 HG12 HG13 ' A' ' 58' ' ' VAL . 9.9 mt -106.49 -37.89 4.06 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 N-CA-C 112.717 0.636 . . . . 0.0 112.717 -169.178 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 39' ' ' LEU . . . . . 0.542 ' HB2' ' HA ' ' A' ' 35' ' ' ASP . 0.4 OUTLIER -62.56 -47.71 87.91 Favored Pre-proline 0 CA--C 1.541 0.608 0 N-CA-C 112.375 0.509 . . . . 0.0 112.375 -172.865 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 40' ' ' PRO . . . . . 0.48 ' HD2' ' N ' ' A' ' 39' ' ' LEU . 42.4 Cg_endo -67.48 -7.49 19.35 Favored 'Trans proline' 0 C--N 1.354 0.848 0 C-N-CA 121.743 1.628 . . . . 0.0 112.662 179.284 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 41' ' ' ILE . . . . . 0.551 HG22 HG23 ' A' ' 42' ' ' ILE . 44.0 mm -97.36 -66.49 1.04 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.429 0 CA-C-N 116.307 -0.406 . . . . 0.0 110.667 -179.918 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 42' ' ' ILE . . . . . 0.551 HG23 HG22 ' A' ' 41' ' ' ILE . 10.5 pt -118.42 3.79 7.14 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.224 0 N-CA-C 112.471 0.545 . . . . 0.0 112.471 -174.752 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 43' ' ' GLY . . . . . 0.438 ' HA3' HD22 ' A' ' 39' ' ' LEU . . . -57.12 -38.22 84.57 Favored Glycine 0 C--O 1.235 0.184 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.997 -175.223 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -92.47 10.33 74.35 Favored Glycine 0 N--CA 1.447 -0.603 0 C-N-CA 120.799 -0.715 . . . . 0.0 112.722 -177.757 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 45' ' ' LEU . . . . . 0.459 HD12 ' HA ' ' A' ' 42' ' ' ILE . 85.3 mt -98.1 150.51 21.36 Favored 'General case' 0 C--N 1.325 -0.462 0 N-CA-C 110.121 -0.326 . . . . 0.0 110.121 179.578 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 46' ' ' GLU . . . . . 0.606 ' HA ' ' HA ' ' A' ' 6' ' ' SER . 32.3 mt-10 -86.32 145.32 26.96 Favored 'General case' 0 C--N 1.319 -0.728 0 CA-C-O 121.036 0.446 . . . . 0.0 110.465 177.443 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 14.7 tt -60.22 -23.78 28.64 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.615 0 CA-C-N 115.267 -0.879 . . . . 0.0 112.688 -167.855 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 72.7 mt-30 -88.6 -18.41 28.08 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.94 0.4 . . . . 0.0 110.824 178.729 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 38.6 t70 -100.82 -19.14 16.09 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 116.004 -0.544 . . . . 0.0 111.754 -168.575 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 50' ' ' ILE . . . . . 0.473 HG13 ' O ' ' A' ' 46' ' ' GLU . 67.7 mt -56.27 130.48 18.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-O 121.064 0.459 . . . . 0.0 111.711 -177.597 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 42.6 mt-10 -86.41 152.47 55.04 Favored Pre-proline 0 C--N 1.325 -0.469 0 CA-C-N 115.701 -0.681 . . . . 0.0 110.682 178.962 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 52' ' ' PRO . . . . . . . . . . . . . 19.5 Cg_endo -59.85 -31.99 94.68 Favored 'Trans proline' 0 C--N 1.344 0.305 0 C-N-CA 122.602 2.201 . . . . 0.0 111.441 176.01 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 53' ' ' MET . . . . . . . . . . . . . 87.7 mtp -62.39 -41.54 98.73 Favored 'General case' 0 C--O 1.225 -0.19 0 CA-C-N 116.017 -0.538 . . . . 0.0 110.847 178.352 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 54' ' ' GLN . . . . . 0.427 ' HB3' HG22 ' A' ' 42' ' ' ILE . 63.1 mt-30 -73.92 -39.54 63.75 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 115.967 -0.56 . . . . 0.0 111.347 -176.788 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 55' ' ' LEU . . . . . 0.48 HD23 ' HB2' ' A' ' 99' ' ' LEU . 19.8 tp -67.32 -35.12 78.79 Favored 'General case' 0 C--N 1.321 -0.642 0 CA-C-O 121.208 0.527 . . . . 0.0 109.817 178.913 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 56' ' ' LEU . . . . . 0.42 HD11 ' HD2' ' A' ' 106' ' ' TYR . 2.6 tm? -75.38 -32.77 60.91 Favored 'General case' 0 C--N 1.329 -0.319 0 N-CA-C 109.577 -0.527 . . . . 0.0 109.577 176.69 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 57' ' ' GLU . . . . . 0.4 ' OE1' ' NE2' ' A' ' 117' ' ' HIS . 46.2 tt0 -58.25 -39.82 80.17 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 115.801 -0.636 . . . . 0.0 109.835 174.148 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 58' ' ' VAL . . . . . 0.546 HG13 HG12 ' A' ' 38' ' ' ILE . 54.1 t -56.73 -54.59 27.34 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.39 0 CA-C-N 115.428 -0.805 . . . . 0.0 110.705 173.397 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 59' ' ' ILE . . . . . 0.448 HG23 ' HB1' ' A' ' 71' ' ' ALA . 1.7 mp -59.44 -39.49 79.3 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.417 0 CA-C-N 116.001 -0.545 . . . . 0.0 110.914 179.647 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 25.5 mtm180 -67.31 -29.68 69.32 Favored 'General case' 0 CA--C 1.517 -0.322 0 C-N-CA 121.185 -0.206 . . . . 0.0 111.428 177.028 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 18.1 tpt85 -60.09 -37.88 81.25 Favored 'General case' 0 C--N 1.326 -0.42 0 N-CA-C 109.322 -0.621 . . . . 0.0 109.322 176.757 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 62' ' ' PHE . . . . . . . . . . . . . 84.8 m-85 -68.0 -39.86 83.16 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 115.661 -0.699 . . . . 0.0 110.794 173.538 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 23.6 mt-10 -62.74 -43.19 99.44 Favored 'General case' 0 N--CA 1.462 0.171 0 CA-C-N 116.5 -0.318 . . . . 0.0 111.054 178.742 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -48.04 -42.75 29.17 Favored 'General case' 0 N--CA 1.465 0.297 0 CA-C-N 115.979 -0.555 . . . . 0.0 111.44 174.115 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 40.1 mtm105 -81.15 -29.27 34.75 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 116.426 -0.352 . . . . 0.0 111.339 179.901 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 107.98 21.91 7.52 Favored Glycine 0 N--CA 1.451 -0.347 0 C-N-CA 120.842 -0.694 . . . . 0.0 112.756 178.464 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -97.01 100.94 12.43 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 122.52 -0.4 . . . . 0.0 110.467 179.101 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 68' ' ' MET . . . . . 0.562 ' HA ' ' CE ' ' A' ' 68' ' ' MET . 9.0 mmt -81.13 -57.26 3.6 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-O 120.596 0.236 . . . . 0.0 111.436 -177.708 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 25.4 tt0 -60.53 -42.38 96.36 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-N 116.383 -0.371 . . . . 0.0 110.91 -178.065 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 70' ' ' ARG . . . . . 0.575 ' HA ' ' HB2' ' A' ' 73' ' ' LYS . 28.6 mtm180 -74.73 -15.74 60.76 Favored 'General case' 0 C--N 1.329 -0.302 0 C-N-CA 120.734 -0.386 . . . . 0.0 111.825 -178.823 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 71' ' ' ALA . . . . . 0.448 ' HB1' HG23 ' A' ' 59' ' ' ILE . . . -70.65 -39.61 73.51 Favored 'General case' 0 C--N 1.33 -0.281 0 N-CA-C 109.391 -0.596 . . . . 0.0 109.391 171.917 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 72' ' ' ASN . . . . . . . . . . . . . 58.0 t30 -73.07 -37.43 66.8 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 115.662 -0.699 . . . . 0.0 109.882 176.343 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 73' ' ' LYS . . . . . 0.575 ' HB2' ' HA ' ' A' ' 70' ' ' ARG . 41.8 mttp -58.77 -40.74 84.82 Favored 'General case' 0 N--CA 1.462 0.15 0 CA-C-N 116.315 -0.402 . . . . 0.0 110.691 174.843 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -56.82 -54.14 49.81 Favored 'General case' 0 CA--C 1.519 -0.225 0 N-CA-C 110.204 -0.295 . . . . 0.0 110.204 176.951 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 57.5 ttt180 -54.13 -49.04 70.1 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 115.906 -0.588 . . . . 0.0 111.123 176.882 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 60.3 ttt180 -61.05 -48.19 82.9 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 115.781 -0.645 . . . . 0.0 111.384 -176.604 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 77' ' ' ARG . . . . . 0.421 ' O ' HG23 ' A' ' 81' ' ' VAL . 9.9 mmp_? -68.96 -38.46 79.42 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.976 -178.673 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 78' ' ' CYS . . . . . . . . . . . . . 81.5 m -64.04 -40.09 95.54 Favored 'General case' 0 C--N 1.332 -0.157 0 N-CA-C 109.992 -0.373 . . . . 0.0 109.992 176.503 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . -57.7 -34.43 70.4 Favored Glycine 0 N--CA 1.449 -0.448 0 C-N-CA 121.216 -0.516 . . . . 0.0 111.821 175.094 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 42.1 tt0 -70.45 -38.03 74.42 Favored 'General case' 0 C--N 1.33 -0.271 0 N-CA-C 110.055 -0.35 . . . . 0.0 110.055 176.608 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 81' ' ' VAL . . . . . 0.421 HG23 ' O ' ' A' ' 77' ' ' ARG . 61.6 t -60.82 -45.58 97.73 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.247 0 N-CA-C 109.952 -0.388 . . . . 0.0 109.952 175.353 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 82' ' ' PHE . . . . . 0.511 ' O ' HG13 ' A' ' 86' ' ' ILE . 60.1 m-85 -60.12 -45.39 93.15 Favored 'General case' 0 C--N 1.332 -0.179 0 CA-C-N 116.028 -0.533 . . . . 0.0 110.167 174.725 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 83' ' ' ARG . . . . . 0.492 ' O ' HG23 ' A' ' 87' ' ' VAL . 22.7 ttt180 -59.7 -45.12 93.09 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 115.876 -0.602 . . . . 0.0 110.815 178.577 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 84' ' ' TYR . . . . . . . . . . . . . 27.6 t80 -58.89 -38.77 79.62 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 115.949 -0.569 . . . . 0.0 109.86 177.901 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -69.53 -34.3 74.04 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 115.766 -0.652 . . . . 0.0 111.014 178.339 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 86' ' ' ILE . . . . . 0.511 HG13 ' O ' ' A' ' 82' ' ' PHE . 77.5 mt -66.57 -43.8 90.41 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 CA-C-O 120.966 0.412 . . . . 0.0 109.983 175.698 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 87' ' ' VAL . . . . . 0.492 HG23 ' O ' ' A' ' 83' ' ' ARG . 98.4 t -61.89 -48.85 86.68 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 115.721 -0.672 . . . . 0.0 110.669 177.544 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 88' ' ' THR . . . . . . . . . . . . . 18.2 p -69.33 -20.34 63.87 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.147 179.671 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . 89.03 27.05 24.66 Favored Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 120.955 -0.64 . . . . 0.0 113.051 176.781 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 64.9 mtt180 -98.62 -28.77 13.4 Favored 'General case' 0 C--N 1.322 -0.608 0 CA-C-O 121.064 0.459 . . . . 0.0 110.628 179.344 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . -120.25 115.81 24.34 Favored 'General case' 0 C--N 1.321 -0.641 0 CA-C-N 116.325 -0.398 . . . . 0.0 110.435 179.775 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 49.8 tttm -83.63 -21.78 32.4 Favored 'General case' 0 C--N 1.324 -0.543 0 CA-C-O 121.231 0.539 . . . . 0.0 109.927 -179.704 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 93' ' ' TYR . . . . . . . . . . . . . 90.2 t80 -147.08 142.38 27.35 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-N 115.473 -0.785 . . . . 0.0 109.562 179.288 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 94' ' ' ASN . . . . . . . . . . . . . 24.6 p-10 -120.27 132.47 24.1 Favored Pre-proline 0 C--N 1.322 -0.593 0 CA-C-O 120.858 0.361 . . . . 0.0 110.181 178.095 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 95' ' ' PRO . . . . . . . . . . . . . 69.1 Cg_endo -76.62 33.47 0.42 Allowed 'Trans proline' 0 CA--C 1.532 0.377 0 C-N-CA 122.827 2.351 . . . . 0.0 112.812 -179.212 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 96' ' ' ALA . . . . . 0.527 ' N ' ' HD2' ' A' ' 97' ' ' PRO . . . -67.38 -47.37 48.52 Favored Pre-proline 0 CA--C 1.537 0.469 0 CA-C-N 116.345 -0.389 . . . . 0.0 111.802 179.674 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 97' ' ' PRO . . . . . 0.527 ' HD2' ' N ' ' A' ' 96' ' ' ALA . 28.5 Cg_endo -64.12 -33.23 62.06 Favored 'Trans proline' 0 C--N 1.356 0.928 0 C-N-CA 121.871 1.714 . . . . 0.0 111.832 174.654 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 6.5 m-20 -68.67 -39.12 80.74 Favored 'General case' 0 C--N 1.326 -0.413 0 CA-C-N 115.99 -0.55 . . . . 0.0 109.943 178.497 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 99' ' ' LEU . . . . . 0.48 ' HB2' HD23 ' A' ' 55' ' ' LEU . 2.9 tm? -57.98 -43.98 86.84 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 115.337 -0.847 . . . . 0.0 109.592 172.906 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 100' ' ' ALA . . . . . 0.582 ' O ' ' HG3' ' A' ' 104' ' ' LYS . . . -58.96 -44.36 91.45 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 115.746 -0.661 . . . . 0.0 110.713 178.63 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 101' ' ' ASP . . . . . 0.706 ' HA ' ' HD2' ' A' ' 104' ' ' LYS . 0.4 OUTLIER -64.16 -33.22 75.3 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.325 -0.398 . . . . 0.0 111.759 179.84 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -69.3 -30.5 68.6 Favored 'General case' 0 C--N 1.324 -0.531 0 CA-C-O 121.241 0.543 . . . . 0.0 110.283 176.638 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 103' ' ' MET . . . . . . . . . . . . . 54.1 ttm -78.16 -23.23 47.77 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-N 115.683 -0.689 . . . . 0.0 110.393 177.552 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 104' ' ' LYS . . . . . 0.706 ' HD2' ' HA ' ' A' ' 101' ' ' ASP . 79.1 mttt -78.04 -48.97 14.92 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 121.321 0.582 . . . . 0.0 110.335 177.557 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 105' ' ' GLY . . . . . . . . . . . . . . . -129.56 77.49 0.39 Allowed Glycine 0 N--CA 1.445 -0.728 0 CA-C-N 115.459 -0.791 . . . . 0.0 111.604 -179.918 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 106' ' ' TYR . . . . . 0.42 ' HD2' HD11 ' A' ' 56' ' ' LEU . 67.4 m-85 -50.07 -72.21 0.05 Allowed 'General case' 0 N--CA 1.465 0.297 0 CA-C-O 121.352 0.596 . . . . 0.0 111.943 -177.076 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 107' ' ' ARG . . . . . . . . . . . . . 45.6 mtm180 -106.29 19.93 19.75 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 115.826 -0.625 . . . . 0.0 110.633 -175.18 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 108' ' ' LYS . . . . . . . . . . . . . 68.7 mttm -84.19 -17.8 38.75 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-N 116.001 -0.545 . . . . 0.0 110.449 -179.783 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 109' ' ' LYS . . . . . . . . . . . . . 32.8 mtmm -121.89 130.0 53.01 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.485 -177.889 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 110' ' ' ASN . . . . . . . . . . . . . 41.9 m-80 -91.39 98.97 12.02 Favored 'General case' 0 C--N 1.321 -0.637 0 N-CA-C 108.908 -0.775 . . . . 0.0 108.908 175.066 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 111' ' ' LEU . . . . . . . . . . . . . 70.4 mt -80.3 55.8 2.33 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 115.893 -0.594 . . . . 0.0 112.182 -171.422 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 112' ' ' GLU . . . . . . . . . . . . . 9.3 mm-40 64.57 -91.05 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 114.803 -1.09 . . . . 0.0 113.132 172.553 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 113' ' ' HIS . . . . . . . . . . . . . 53.6 t60 -101.86 134.96 44.22 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-O 121.196 0.522 . . . . 0.0 111.168 -172.687 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 114' ' ' HIS . . . . . . . . . . . . . 72.8 m80 -82.62 99.3 9.48 Favored 'General case' 0 C--N 1.323 -0.552 0 CA-C-N 115.791 -0.64 . . . . 0.0 110.789 -179.225 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 115' ' ' HIS . . . . . . . . . . . . . 20.0 m170 -79.59 125.68 29.91 Favored 'General case' 0 C--N 1.323 -0.572 0 N-CA-C 109.719 -0.475 . . . . 0.0 109.719 174.329 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 116' ' ' HIS . . . . . . . . . . . . . 48.9 m80 -111.86 149.85 31.23 Favored 'General case' 0 C--N 1.321 -0.64 0 CA-C-O 121.061 0.458 . . . . 0.0 111.148 -174.07 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 117' ' ' HIS . . . . . 0.4 ' NE2' ' OE1' ' A' ' 57' ' ' GLU . 78.7 m-70 -92.59 4.35 53.77 Favored 'General case' 0 C--N 1.329 -0.299 0 N-CA-C 108.468 -0.938 . . . . 0.0 108.468 167.773 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 118' ' ' HIS . . . . . . . . . . . . . 30.8 t60 . . . . . 0 C--O 1.243 0.734 0 CA-C-N 114.339 -1.3 . . . . 0.0 108.594 -178.975 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 23.5 m . . . . . 0 N--CA 1.476 0.844 0 N-CA-C 110.259 -0.274 . . . . 0.0 110.259 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 19.2 m -58.79 134.88 57.25 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-O 121.049 0.452 . . . . 0.0 111.241 179.899 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 3' ' ' ASN . . . . . . . . . . . . . 11.4 m120 -76.4 -17.0 59.58 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 115.627 -0.715 . . . . 0.0 111.286 -173.648 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 4' ' ' ASN . . . . . . . . . . . . . 5.5 m120 -71.89 -5.51 35.08 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 116.411 -0.359 . . . . 0.0 111.248 178.203 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 85.4 m-20 63.19 28.58 15.94 Favored 'General case' 0 N--CA 1.465 0.285 0 CA-C-O 121.175 0.512 . . . . 0.0 110.175 179.327 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 1.6 m -58.37 140.45 53.59 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-N 115.518 -0.765 . . . . 0.0 110.462 178.629 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 7' ' ' PHE . . . . . . . . . . . . . 51.8 t80 -53.25 -48.8 67.94 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.5 -0.318 . . . . 0.0 110.698 -178.98 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 59.3 m -57.23 -32.58 66.69 Favored 'General case' 0 N--CA 1.464 0.253 0 N-CA-C 112.048 0.388 . . . . 0.0 112.048 -179.254 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -69.55 -50.4 45.23 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-O 121.312 0.577 . . . . 0.0 111.239 -176.811 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 10' ' ' ILE . . . . . 0.516 HG21 ' HB2' ' A' ' 85' ' ' ALA . 68.9 mt -74.62 -35.64 38.44 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.619 0 CA-C-N 115.657 -0.701 . . . . 0.0 110.174 -178.841 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 6.4 t80 -58.91 -42.3 89.28 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 115.839 -0.619 . . . . 0.0 110.322 172.363 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 23.1 tptm -55.47 -47.71 75.68 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.291 -0.413 . . . . 0.0 110.491 176.831 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 11.0 tp10 -66.65 -42.65 86.33 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 115.832 -0.622 . . . . 0.0 110.46 -177.679 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 14' ' ' TRP . . . . . 0.628 ' HH2' ' HD3' ' A' ' 77' ' ' ARG . 67.1 t90 -63.12 -47.94 80.65 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 115.589 -0.732 . . . . 0.0 110.688 177.549 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 15' ' ' TYR . . . . . 0.541 ' CE1' ' HB2' ' A' ' 31' ' ' ALA . 37.4 t80 -61.01 -47.64 85.51 Favored 'General case' 0 C--O 1.224 -0.273 0 CA-C-N 116.496 -0.32 . . . . 0.0 111.051 178.399 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 33.2 tt0 -61.03 -28.64 69.2 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 116.432 -0.349 . . . . 0.0 110.92 -176.086 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 17' ' ' HIS . . . . . . . . . . . . . 76.7 t60 -79.18 -45.69 19.41 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.847 0.356 . . . . 0.0 110.346 176.065 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 37.8 mmtm -66.64 -25.62 66.67 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 116.287 -0.415 . . . . 0.0 111.359 -179.863 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 60.4 tttm -60.47 -24.58 65.37 Favored 'General case' 0 C--N 1.323 -0.545 0 CA-C-N 115.697 -0.683 . . . . 0.0 110.941 178.868 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 96.9 mt-30 -73.66 -24.26 59.96 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.651 178.4 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 41.9 t -99.26 -42.04 10.34 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.398 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.108 -175.565 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 22' ' ' TRP . . . . . . . . . . . . . 41.3 m0 -75.95 155.82 34.75 Favored 'General case' 0 C--N 1.323 -0.548 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.175 -177.441 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 12.5 m -69.44 145.86 52.45 Favored 'General case' 0 C--N 1.324 -0.509 0 N-CA-C 108.966 -0.753 . . . . 0.0 108.966 172.5 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 47.8 t -57.33 -45.62 85.21 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.415 0 N-CA-C 112.194 0.442 . . . . 0.0 112.194 -172.4 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -58.86 -50.16 70.47 Favored Glycine 0 N--CA 1.45 -0.415 0 C-N-CA 120.671 -0.776 . . . . 0.0 112.025 177.945 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 26' ' ' TYR . . . . . . . . . . . . . 82.5 t80 -63.08 -42.96 99.75 Favored 'General case' 0 C--N 1.326 -0.429 0 C-N-CA 122.37 0.268 . . . . 0.0 111.075 177.968 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -62.95 -48.69 77.79 Favored 'General case' 0 C--N 1.332 -0.191 0 CA-C-O 120.82 0.343 . . . . 0.0 111.052 -177.08 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 20.0 m -66.27 -36.5 83.14 Favored 'General case' 0 C--N 1.323 -0.554 0 CA-C-N 116.303 -0.408 . . . . 0.0 110.873 -178.215 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 42.1 tt0 -68.93 -46.7 67.57 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.371 -0.377 . . . . 0.0 110.485 179.385 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 30' ' ' LEU . . . . . 0.639 ' O ' ' HG2' ' A' ' 33' ' ' MET . 10.2 tt -59.83 -41.66 91.81 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 116.048 -0.524 . . . . 0.0 109.682 177.719 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 31' ' ' ALA . . . . . 0.541 ' HB2' ' CE1' ' A' ' 15' ' ' TYR . . . -66.85 -35.56 80.32 Favored 'General case' 0 C--N 1.322 -0.622 0 CA-C-N 115.896 -0.593 . . . . 0.0 111.549 -179.485 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 32' ' ' LYS . . . . . 0.504 ' HA ' ' HB3' ' A' ' 35' ' ' ASP . 17.6 tttm -85.82 -14.47 44.97 Favored 'General case' 0 N--CA 1.449 -0.513 0 C-N-CA 119.583 -0.847 . . . . 0.0 111.933 -176.121 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 33' ' ' MET . . . . . 0.639 ' HG2' ' O ' ' A' ' 30' ' ' LEU . 24.2 ptt? -76.28 -31.5 58.28 Favored 'General case' 0 C--N 1.328 -0.351 0 N-CA-C 108.316 -0.994 . . . . 0.0 108.316 171.23 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 34' ' ' PHE . . . . . 0.47 ' CG ' HD12 ' A' ' 38' ' ' ILE . 9.3 m-85 -66.52 -41.39 88.87 Favored 'General case' 0 C--O 1.225 -0.225 0 CA-C-N 115.739 -0.664 . . . . 0.0 109.28 168.923 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 35' ' ' ASP . . . . . 0.613 ' HA ' ' HG ' ' A' ' 39' ' ' LEU . 27.9 t70 -58.22 -72.56 0.09 Allowed 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 115.311 -0.859 . . . . 0.0 111.301 177.881 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 6.3 m-20 -63.37 -32.24 73.61 Favored 'General case' 0 N--CA 1.466 0.368 0 N-CA-C 113.406 0.891 . . . . 0.0 113.406 -171.535 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 37' ' ' ASP . . . . . 0.503 ' HB3' ' HG2' ' A' ' 61' ' ' ARG . 14.7 m-20 -102.4 -44.75 5.29 Favored 'General case' 0 C--N 1.325 -0.498 0 C-N-CA 120.539 -0.464 . . . . 0.0 112.222 -173.158 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 38' ' ' ILE . . . . . 0.553 HG12 HG13 ' A' ' 58' ' ' VAL . 20.7 mt -89.64 -34.68 6.88 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 N-CA-C 112.651 0.612 . . . . 0.0 112.651 -170.376 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 39' ' ' LEU . . . . . 0.613 ' HG ' ' HA ' ' A' ' 35' ' ' ASP . 30.1 mt -64.81 -44.58 73.24 Favored Pre-proline 0 CA--C 1.535 0.379 0 N-CA-C 112.653 0.612 . . . . 0.0 112.653 -175.312 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 40' ' ' PRO . . . . . 0.42 ' HD3' ' HB2' ' A' ' 39' ' ' LEU . 31.2 Cg_exo -62.26 -14.7 39.96 Favored 'Trans proline' 0 C--N 1.353 0.808 0 C-N-CA 121.955 1.77 . . . . 0.0 112.508 174.864 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 41' ' ' ILE . . . . . 0.767 HG22 HG23 ' A' ' 42' ' ' ILE . 50.8 mm -95.07 -65.14 1.18 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.357 0 CA-C-N 116.561 -0.291 . . . . 0.0 111.323 -177.983 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 42' ' ' ILE . . . . . 0.767 HG23 HG22 ' A' ' 41' ' ' ILE . 17.2 pt -128.93 9.39 2.7 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.234 0 N-CA-C 111.734 0.272 . . . . 0.0 111.734 -176.14 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 43' ' ' GLY . . . . . 0.471 ' HA3' ' HA ' ' A' ' 39' ' ' LEU . . . -57.67 -39.12 90.65 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.773 -0.727 . . . . 0.0 112.754 -174.627 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -97.98 16.24 60.48 Favored Glycine 0 N--CA 1.445 -0.743 0 C-N-CA 120.548 -0.834 . . . . 0.0 112.769 -177.206 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 45' ' ' LEU . . . . . 0.416 HD12 ' HA ' ' A' ' 42' ' ' ILE . 95.8 mt -96.35 149.77 21.32 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 116.88 0.34 . . . . 0.0 110.696 178.782 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 30.6 mt-10 -73.24 128.83 36.6 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-N 115.96 -0.564 . . . . 0.0 109.817 177.761 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 47' ' ' ILE . . . . . 0.403 HD11 ' HA ' ' A' ' 82' ' ' PHE . 16.2 tt -60.82 -20.41 21.58 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.43 0 CA-C-O 120.978 0.418 . . . . 0.0 112.124 -173.314 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 69.0 mt-30 -80.77 -25.02 38.21 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 116.397 -0.365 . . . . 0.0 110.949 -179.516 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 33.2 t70 -133.07 77.86 1.76 Allowed 'General case' 0 C--N 1.324 -0.528 0 CA-C-O 121.515 0.674 . . . . 0.0 110.693 -175.535 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 50' ' ' ILE . . . . . . . . . . . . . 72.7 mt -119.65 134.31 63.63 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.673 0 CA-C-N 115.233 -0.894 . . . . 0.0 109.205 176.465 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 51' ' ' GLU . . . . . 0.724 ' HB2' ' HB2' ' A' ' 54' ' ' GLN . 42.4 mm-40 -66.35 129.04 94.15 Favored Pre-proline 0 C--N 1.325 -0.478 0 N-CA-C 110.071 -0.344 . . . . 0.0 110.071 178.56 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 52' ' ' PRO . . . . . . . . . . . . . 49.9 Cg_exo -56.47 -31.56 86.34 Favored 'Trans proline' 0 C--N 1.342 0.196 0 C-N-CA 122.635 2.223 . . . . 0.0 111.273 178.036 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 53' ' ' MET . . . . . . . . . . . . . 37.9 ttm -79.48 -24.87 42.05 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-N 115.482 -0.781 . . . . 0.0 110.339 179.899 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 54' ' ' GLN . . . . . 0.724 ' HB2' ' HB2' ' A' ' 51' ' ' GLU . 10.0 mt-30 -78.21 -34.16 49.53 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-O 120.97 0.414 . . . . 0.0 110.228 175.283 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 55' ' ' LEU . . . . . 0.481 HD23 ' HB2' ' A' ' 99' ' ' LEU . 32.8 tp -66.88 -34.79 78.57 Favored 'General case' 0 C--N 1.324 -0.521 0 N-CA-C 108.812 -0.81 . . . . 0.0 108.812 172.835 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 56' ' ' LEU . . . . . 0.443 ' O ' ' HB2' ' A' ' 60' ' ' ARG . 2.8 tm? -68.25 -32.07 71.99 Favored 'General case' 0 N--CA 1.453 -0.321 0 CA-C-N 115.184 -0.916 . . . . 0.0 109.592 174.176 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 57' ' ' GLU . . . . . 0.431 ' OE1' HG23 ' A' ' 41' ' ' ILE . 40.7 tt0 -64.04 -34.13 77.31 Favored 'General case' 0 C--N 1.33 -0.239 0 N-CA-C 110.131 -0.322 . . . . 0.0 110.131 177.312 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 58' ' ' VAL . . . . . 0.553 HG13 HG12 ' A' ' 38' ' ' ILE . 25.4 t -61.01 -54.0 41.5 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.235 0 CA-C-O 121.17 0.509 . . . . 0.0 110.526 173.745 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 59' ' ' ILE . . . . . . . . . . . . . 1.7 mp -61.83 -38.65 81.05 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 CA-C-N 115.937 -0.574 . . . . 0.0 110.25 177.5 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 60' ' ' ARG . . . . . 0.443 ' HB2' ' O ' ' A' ' 56' ' ' LEU . 0.0 OUTLIER -60.99 -39.0 88.01 Favored 'General case' 0 C--O 1.221 -0.426 0 CA-C-N 115.591 -0.731 . . . . 0.0 109.841 178.223 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 61' ' ' ARG . . . . . 0.514 ' HB3' ' O ' ' A' ' 58' ' ' VAL . 9.9 tpt180 -56.6 -48.66 76.95 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 115.627 -0.715 . . . . 0.0 111.089 177.943 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 62' ' ' PHE . . . . . . . . . . . . . 66.1 m-85 -66.73 -46.91 73.97 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 116.515 -0.311 . . . . 0.0 111.405 179.387 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 43.4 mt-10 -65.32 -29.37 70.1 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.783 0.325 . . . . 0.0 111.336 179.554 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 33.2 t70 -68.19 -33.35 74.27 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.161 178.457 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 19.8 mtm180 -82.9 -12.73 57.14 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 115.91 -0.586 . . . . 0.0 111.017 176.323 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 96.64 5.29 58.89 Favored Glycine 0 N--CA 1.448 -0.532 0 C-N-CA 120.485 -0.864 . . . . 0.0 112.222 177.875 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 67' ' ' ALA . . . . . 0.665 ' HB1' ' HB2' ' A' ' 70' ' ' ARG . . . -83.86 80.56 9.11 Favored 'General case' 0 C--N 1.323 -0.569 0 N-CA-C 109.536 -0.542 . . . . 0.0 109.536 177.457 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 68' ' ' MET . . . . . . . . . . . . . 41.9 mmm -72.17 -38.77 69.07 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-N 115.608 -0.724 . . . . 0.0 110.781 -173.664 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 69' ' ' GLU . . . . . 0.406 ' HG3' ' H ' ' A' ' 69' ' ' GLU . 0.0 OUTLIER -75.3 -34.04 61.25 Favored 'General case' 0 C--N 1.321 -0.632 0 CA-C-N 115.742 -0.663 . . . . 0.0 110.33 -179.444 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 70' ' ' ARG . . . . . 0.665 ' HB2' ' HB1' ' A' ' 67' ' ' ALA . 66.3 mtt-85 -76.18 -21.4 56.54 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.02 177.103 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -68.38 -52.65 30.65 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-O 120.885 0.374 . . . . 0.0 110.075 175.25 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 72' ' ' ASN . . . . . . . . . . . . . 86.0 m-20 -57.89 -37.11 73.38 Favored 'General case' 0 N--CA 1.464 0.249 0 CA-C-N 115.984 -0.553 . . . . 0.0 110.321 173.708 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 73' ' ' LYS . . . . . 0.589 ' HB2' ' HA ' ' A' ' 70' ' ' ARG . 12.3 mptt -59.18 -57.6 12.32 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 115.826 -0.624 . . . . 0.0 110.469 176.332 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -50.83 -47.25 60.21 Favored 'General case' 0 N--CA 1.463 0.222 0 O-C-N 123.409 0.443 . . . . 0.0 110.93 -179.32 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 77.9 ttt180 -55.35 -51.32 67.17 Favored 'General case' 0 C--N 1.323 -0.554 0 CA-C-N 115.426 -0.806 . . . . 0.0 111.42 179.448 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 56.4 ttt-85 -71.96 -39.9 69.03 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.141 -176.873 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 77' ' ' ARG . . . . . 0.628 ' HD3' ' HH2' ' A' ' 14' ' ' TRP . 2.5 mmp_? -62.91 -40.83 98.79 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.613 -179.225 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 78' ' ' CYS . . . . . . . . . . . . . 74.1 m -64.43 -36.73 85.12 Favored 'General case' 0 C--N 1.333 -0.115 0 CA-C-N 116.587 -0.279 . . . . 0.0 110.509 177.717 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . -55.54 -39.36 74.22 Favored Glycine 0 C--N 1.333 0.396 0 C-N-CA 121.026 -0.607 . . . . 0.0 111.829 174.609 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 39.7 mt-10 -64.97 -42.1 94.87 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.479 0.18 . . . . 0.0 110.913 175.33 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 60.3 t -60.31 -43.54 93.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-O 120.958 0.408 . . . . 0.0 110.254 178.278 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 82' ' ' PHE . . . . . 0.531 ' HB3' ' HB3' ' A' ' 94' ' ' ASN . 25.5 m-85 -59.84 -48.06 83.23 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 115.781 -0.645 . . . . 0.0 110.663 177.069 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 83' ' ' ARG . . . . . 0.501 ' O ' HG23 ' A' ' 87' ' ' VAL . 43.1 ttm180 -64.59 -40.52 95.66 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.845 179.509 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 84' ' ' TYR . . . . . . . . . . . . . 18.3 t80 -57.28 -39.89 76.63 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-O 121.303 0.573 . . . . 0.0 109.708 177.719 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 85' ' ' ALA . . . . . 0.516 ' HB2' HG21 ' A' ' 10' ' ' ILE . . . -69.37 -39.18 78.22 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 115.511 -0.768 . . . . 0.0 111.354 177.826 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 86' ' ' ILE . . . . . 0.487 HG13 ' O ' ' A' ' 82' ' ' PHE . 87.1 mt -62.7 -46.36 96.55 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.529 0 CA-C-O 120.787 0.327 . . . . 0.0 110.375 178.565 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 87' ' ' VAL . . . . . 0.501 HG23 ' O ' ' A' ' 83' ' ' ARG . 59.9 t -63.03 -39.74 86.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.154 -0.476 . . . . 0.0 111.157 -179.997 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 88' ' ' THR . . . . . . . . . . . . . 23.7 p -80.99 -0.45 39.62 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 116.307 -0.406 . . . . 0.0 111.73 -177.556 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . 71.16 34.52 64.46 Favored Glycine 0 C--N 1.33 0.214 0 C-N-CA 120.831 -0.7 . . . . 0.0 112.243 179.926 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 90' ' ' ARG . . . . . 0.45 ' HA ' ' HE ' ' A' ' 90' ' ' ARG . 1.7 mmp_? -110.91 -13.44 14.12 Favored 'General case' 0 C--N 1.32 -0.691 0 CA-C-O 120.823 0.344 . . . . 0.0 110.758 -179.816 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . -145.9 154.97 42.55 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.604 -0.271 . . . . 0.0 110.493 177.836 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 63.0 mttp -97.62 -36.57 10.23 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.641 -0.254 . . . . 0.0 111.64 -179.389 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 93' ' ' TYR . . . . . . . . . . . . . 12.2 p90 -147.19 173.09 12.86 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-O 120.656 0.265 . . . . 0.0 110.866 -174.443 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 94' ' ' ASN . . . . . 0.531 ' HB3' ' HB3' ' A' ' 82' ' ' PHE . 7.4 p30 -119.99 130.93 24.6 Favored Pre-proline 0 C--N 1.326 -0.423 0 CA-C-N 116.269 -0.423 . . . . 0.0 109.981 176.053 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 95' ' ' PRO . . . . . 0.451 ' HD3' ' HA ' ' A' ' 94' ' ' ASN . 4.2 Cg_exo -75.94 26.36 0.41 Allowed 'Trans proline' 0 CA--C 1.53 0.281 0 C-N-CA 123.178 2.585 . . . . 0.0 112.661 179.544 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 96' ' ' ALA . . . . . 0.574 ' N ' ' HD2' ' A' ' 97' ' ' PRO . . . -65.0 -46.35 74.26 Favored Pre-proline 0 CA--C 1.537 0.461 0 N-CA-C 112.482 0.549 . . . . 0.0 112.482 -178.116 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 97' ' ' PRO . . . . . 0.574 ' HD2' ' N ' ' A' ' 96' ' ' ALA . 11.5 Cg_endo -56.0 -42.5 66.12 Favored 'Trans proline' 0 C--N 1.355 0.878 0 C-N-CA 122.109 1.872 . . . . 0.0 112.263 175.616 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 26.8 m-20 -70.97 -32.97 69.98 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.379 179.891 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 99' ' ' LEU . . . . . 0.481 ' HB2' HD23 ' A' ' 55' ' ' LEU . 2.5 tm? -58.63 -46.57 86.8 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 115.654 -0.703 . . . . 0.0 110.189 176.348 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 100' ' ' ALA . . . . . . . . . . . . . . . -68.39 -33.46 74.28 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.823 179.915 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 35.3 t70 -68.0 -46.57 70.9 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 115.789 -0.641 . . . . 0.0 110.878 -179.328 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -66.13 -36.61 83.59 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-N 115.952 -0.567 . . . . 0.0 110.872 178.603 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 103' ' ' MET . . . . . . . . . . . . . 47.4 ttm -64.26 -31.31 72.46 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 115.858 -0.61 . . . . 0.0 110.612 178.758 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 104' ' ' LYS . . . . . . . . . . . . . 6.8 ttpm? -75.06 -19.42 60.0 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 115.702 -0.681 . . . . 0.0 111.101 -177.325 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 105' ' ' GLY . . . . . . . . . . . . . . . -132.24 50.99 0.87 Allowed Glycine 0 N--CA 1.451 -0.358 0 C-N-CA 120.66 -0.781 . . . . 0.0 112.363 -178.664 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 106' ' ' TYR . . . . . 0.428 ' CE1' ' HD3' ' A' ' 60' ' ' ARG . 82.0 t80 -70.05 -30.17 67.36 Favored 'General case' 0 C--N 1.325 -0.466 0 N-CA-C 111.96 0.356 . . . . 0.0 111.96 -176.92 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 107' ' ' ARG . . . . . . . . . . . . . 60.9 mtt-85 -76.71 -19.24 57.91 Favored 'General case' 0 C--N 1.331 -0.219 0 C-N-CA 121.077 -0.249 . . . . 0.0 111.437 -178.586 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 108' ' ' LYS . . . . . . . . . . . . . 55.8 mttm 62.09 33.15 17.22 Favored 'General case' 0 C--O 1.234 0.248 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.551 178.762 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 109' ' ' LYS . . . . . 0.698 ' HE3' HD12 ' A' ' 111' ' ' LEU . 88.5 tttt -73.27 99.1 2.8 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 121.351 0.596 . . . . 0.0 110.37 -179.095 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 110' ' ' ASN . . . . . . . . . . . . . 30.2 p-10 -89.01 15.67 8.26 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-N 115.526 -0.761 . . . . 0.0 110.914 -177.958 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 111' ' ' LEU . . . . . 0.698 HD12 ' HE3' ' A' ' 109' ' ' LYS . 83.8 mt -82.39 152.32 26.24 Favored 'General case' 0 C--N 1.323 -0.546 0 CA-C-N 115.955 -0.566 . . . . 0.0 110.27 179.868 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 112' ' ' GLU . . . . . . . . . . . . . 35.5 mp0 -69.1 171.32 8.45 Favored 'General case' 0 C--N 1.323 -0.576 0 CA-C-N 116.016 -0.538 . . . . 0.0 110.404 179.01 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 113' ' ' HIS . . . . . . . . . . . . . 87.0 m-70 -95.05 -43.77 7.98 Favored 'General case' 0 C--N 1.322 -0.622 0 N-CA-C 109.426 -0.583 . . . . 0.0 109.426 178.535 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 114' ' ' HIS . . . . . . . . . . . . . 96.2 m-70 -135.42 131.48 36.28 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 115.55 -0.75 . . . . 0.0 109.866 178.655 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 115' ' ' HIS . . . . . . . . . . . . . 61.9 m80 -103.85 -74.11 0.65 Allowed 'General case' 0 C--N 1.321 -0.668 0 CA-C-O 120.927 0.394 . . . . 0.0 110.311 179.809 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 116' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -174.4 -57.0 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.458 0 N-CA-C 109.049 -0.722 . . . . 0.0 109.049 178.617 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 117' ' ' HIS . . . . . . . . . . . . . 51.3 t-80 -77.04 -41.06 44.04 Favored 'General case' 0 C--N 1.325 -0.482 0 N-CA-C 108.441 -0.948 . . . . 0.0 108.441 173.114 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 118' ' ' HIS . . . . . . . . . . . . . 16.6 t-160 . . . . . 0 C--O 1.247 0.947 0 CA-C-N 115.071 -0.968 . . . . 0.0 108.812 171.915 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 50.5 m . . . . . 0 N--CA 1.477 0.912 0 CA-C-O 121.082 0.468 . . . . 0.0 111.04 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 43.3 m -136.49 100.69 4.43 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-N 115.924 -0.58 . . . . 0.0 109.651 175.545 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 3' ' ' ASN . . . . . . . . . . . . . 10.6 t-20 -89.94 168.92 11.66 Favored 'General case' 0 C--N 1.323 -0.562 0 CA-C-N 115.88 -0.6 . . . . 0.0 109.989 -176.624 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 4' ' ' ASN . . . . . . . . . . . . . 66.5 t30 -66.77 -38.37 86.43 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.955 0.407 . . . . 0.0 111.088 -177.323 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 45.8 m-80 -97.98 13.02 32.27 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.383 -0.371 . . . . 0.0 110.665 179.459 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 12.3 t -66.11 139.45 58.16 Favored 'General case' 0 N--CA 1.449 -0.511 0 N-CA-C 109.495 -0.557 . . . . 0.0 109.495 -179.438 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 7' ' ' PHE . . . . . . . . . . . . . 31.8 t80 -57.38 -37.56 72.85 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 115.931 -0.577 . . . . 0.0 110.855 -176.545 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 13.4 p -61.61 -39.47 91.34 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.523 -0.308 . . . . 0.0 111.416 179.818 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -65.39 -51.43 60.45 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.132 -0.485 . . . . 0.0 111.039 -178.133 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 10' ' ' ILE . . . . . 0.544 HG12 HH11 ' A' ' 90' ' ' ARG . 52.9 mt -69.1 -34.38 63.33 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.437 0 CA-C-N 115.915 -0.584 . . . . 0.0 110.675 -178.566 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 29.1 t80 -60.63 -39.08 86.92 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.016 -0.538 . . . . 0.0 110.635 175.101 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 23.8 tptm -62.53 -46.31 88.96 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.322 -0.399 . . . . 0.0 110.302 179.576 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 45.0 mt-10 -59.47 -49.05 79.28 Favored 'General case' 0 C--O 1.234 0.242 0 CA-C-O 121.171 0.51 . . . . 0.0 110.442 177.447 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 14' ' ' TRP . . . . . . . . . . . . . 57.4 t90 -58.56 -52.28 66.34 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 115.252 -0.886 . . . . 0.0 111.37 -179.718 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 15' ' ' TYR . . . . . 0.444 ' CE1' ' HB2' ' A' ' 31' ' ' ALA . 39.6 t80 -63.69 -51.24 65.94 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.42 -0.354 . . . . 0.0 111.584 -177.997 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -58.89 -38.07 78.02 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.994 0.426 . . . . 0.0 110.765 -175.376 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 17' ' ' HIS . . . . . . . . . . . . . 51.5 t60 -70.24 -53.2 18.0 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 116.029 -0.532 . . . . 0.0 111.312 179.91 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 47.1 mtpt -80.4 -1.6 42.05 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-O 120.749 0.309 . . . . 0.0 111.64 -175.003 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 35.1 ttpt -65.0 -24.59 67.55 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-O 121.138 0.494 . . . . 0.0 109.942 172.702 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 83.0 mt-30 -78.02 -20.54 52.31 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 115.938 -0.574 . . . . 0.0 110.161 177.004 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 35.7 t -87.65 -42.1 14.9 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 CA-C-N 115.686 -0.688 . . . . 0.0 110.904 -174.802 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 22' ' ' TRP . . . . . . . . . . . . . 16.0 m0 -90.55 165.19 13.9 Favored 'General case' 0 C--N 1.32 -0.697 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.633 -178.582 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 12.9 m -68.85 142.63 54.78 Favored 'General case' 0 C--N 1.323 -0.561 0 N-CA-C 108.748 -0.834 . . . . 0.0 108.748 171.18 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 7.3 p -61.83 -31.24 50.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 C-N-CA 121.001 -0.279 . . . . 0.0 111.316 -173.779 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -64.2 -47.04 88.99 Favored Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.751 -0.738 . . . . 0.0 111.645 176.402 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 26' ' ' TYR . . . . . . . . . . . . . 89.7 t80 -67.5 -43.68 80.32 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-O 120.748 0.309 . . . . 0.0 110.391 178.437 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -60.6 -45.7 93.02 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 115.952 -0.567 . . . . 0.0 111.187 -178.498 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 24.7 m -69.34 -37.05 77.51 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-N 116.533 -0.303 . . . . 0.0 111.11 -178.834 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 35.1 tt0 -64.87 -46.9 79.88 Favored 'General case' 0 C--O 1.232 0.161 0 CA-C-O 120.908 0.385 . . . . 0.0 110.181 177.564 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 10.2 tt -60.97 -47.94 84.11 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 115.813 -0.63 . . . . 0.0 110.175 179.594 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 31' ' ' ALA . . . . . 0.444 ' HB2' ' CE1' ' A' ' 15' ' ' TYR . . . -65.93 -38.78 89.56 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 115.902 -0.59 . . . . 0.0 111.621 -178.212 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 32' ' ' LYS . . . . . 0.514 ' HD2' ' HA ' ' A' ' 32' ' ' LYS . 17.2 tptt -67.04 -44.17 80.9 Favored 'General case' 0 C--N 1.33 -0.273 0 C-N-CA 120.792 -0.363 . . . . 0.0 110.38 -177.898 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 33' ' ' MET . . . . . . . . . . . . . 48.1 ttp -62.39 -40.06 95.25 Favored 'General case' 0 C--N 1.322 -0.592 0 CA-C-N 115.931 -0.577 . . . . 0.0 109.874 176.943 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 34' ' ' PHE . . . . . 0.404 ' O ' ' HB ' ' A' ' 38' ' ' ILE . 6.6 t80 -62.38 -49.96 73.46 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 115.321 -0.854 . . . . 0.0 110.637 -179.311 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 35' ' ' ASP . . . . . 0.54 ' HA ' ' HB2' ' A' ' 39' ' ' LEU . 0.9 OUTLIER -72.45 -41.83 65.69 Favored 'General case' 0 C--N 1.33 -0.261 0 C-N-CA 120.149 -0.621 . . . . 0.0 110.775 -177.581 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 37.4 t70 -64.02 -28.22 69.65 Favored 'General case' 0 C--N 1.328 -0.334 0 N-CA-C 112.202 0.445 . . . . 0.0 112.202 -173.468 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 37' ' ' ASP . . . . . 0.529 ' HB3' ' HG2' ' A' ' 61' ' ' ARG . 33.7 m-20 -113.79 -47.72 2.96 Favored 'General case' 0 C--N 1.323 -0.558 0 N-CA-C 112.307 0.484 . . . . 0.0 112.307 179.913 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 38' ' ' ILE . . . . . 0.582 HG12 HG13 ' A' ' 58' ' ' VAL . 16.9 mt -81.69 -29.05 10.12 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.532 0 N-CA-C 112.326 0.491 . . . . 0.0 112.326 -169.888 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 39' ' ' LEU . . . . . 0.54 ' HB2' ' HA ' ' A' ' 35' ' ' ASP . 0.3 OUTLIER -64.15 -49.33 74.1 Favored Pre-proline 0 CA--C 1.537 0.474 0 C-N-CA 120.714 -0.394 . . . . 0.0 111.53 -174.906 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 27.8 Cg_exo -63.78 -11.32 26.1 Favored 'Trans proline' 0 C--N 1.352 0.738 0 C-N-CA 121.966 1.777 . . . . 0.0 112.682 177.954 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 41' ' ' ILE . . . . . 0.558 HG22 HG23 ' A' ' 42' ' ' ILE . 43.2 mm -92.91 -57.35 4.4 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.615 -0.266 . . . . 0.0 111.363 -177.695 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 42' ' ' ILE . . . . . 0.558 HG23 HG22 ' A' ' 41' ' ' ILE . 12.4 pt -130.43 5.17 2.17 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.202 0 N-CA-C 112.605 0.594 . . . . 0.0 112.605 -175.343 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 43' ' ' GLY . . . . . 0.414 ' HA3' HD13 ' A' ' 39' ' ' LEU . . . -57.54 -36.41 77.6 Favored Glycine 0 CA--C 1.519 0.295 0 C-N-CA 120.825 -0.703 . . . . 0.0 113.206 -174.381 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -96.62 12.99 65.91 Favored Glycine 0 N--CA 1.45 -0.417 0 C-N-CA 120.492 -0.861 . . . . 0.0 112.973 -177.921 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 96.7 mt -96.81 156.7 16.24 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 116.954 0.377 . . . . 0.0 110.836 -178.885 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 7.7 mm-40 -73.24 129.03 37.16 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-N 115.701 -0.681 . . . . 0.0 109.467 174.9 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 47' ' ' ILE . . . . . 0.505 HD13 ' HB2' ' A' ' 85' ' ' ALA . 13.8 tt -65.17 -18.12 23.21 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.599 0 CA-C-O 121.315 0.579 . . . . 0.0 110.693 -177.991 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 96.7 mt-30 -81.56 -16.33 52.01 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 115.78 -0.646 . . . . 0.0 110.775 177.854 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 25.9 t70 -144.22 81.98 1.69 Allowed 'General case' 0 C--N 1.327 -0.397 0 CA-C-O 121.24 0.543 . . . . 0.0 111.244 -176.722 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 50' ' ' ILE . . . . . . . . . . . . . 72.5 mt -118.91 130.38 73.81 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.646 0 CA-C-N 115.53 -0.759 . . . . 0.0 109.316 174.098 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 51' ' ' GLU . . . . . 0.795 ' HB2' ' HB2' ' A' ' 54' ' ' GLN . 9.8 mt-10 -66.79 144.0 98.35 Favored Pre-proline 0 C--N 1.326 -0.429 0 CA-C-N 116.338 -0.392 . . . . 0.0 110.482 -176.063 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 52' ' ' PRO . . . . . . . . . . . . . 31.6 Cg_exo -58.92 -41.26 63.87 Favored 'Trans proline' 0 C--N 1.34 0.103 0 C-N-CA 122.234 1.956 . . . . 0.0 111.529 178.105 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 53' ' ' MET . . . . . 0.516 ' HA ' ' HB3' ' A' ' 56' ' ' LEU . 66.7 mtt -80.52 -8.33 59.54 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.66 -179.98 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 54' ' ' GLN . . . . . 0.795 ' HB2' ' HB2' ' A' ' 51' ' ' GLU . 41.4 tp60 -83.92 -46.81 11.7 Favored 'General case' 0 C--N 1.326 -0.421 0 N-CA-C 108.855 -0.795 . . . . 0.0 108.855 176.76 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 26.6 tp -67.01 -30.82 71.03 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 115.446 -0.797 . . . . 0.0 109.047 173.843 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 56' ' ' LEU . . . . . 0.516 ' HB3' ' HA ' ' A' ' 53' ' ' MET . 2.0 tm? -67.06 -32.65 73.97 Favored 'General case' 0 C--O 1.223 -0.34 0 CA-C-N 115.683 -0.689 . . . . 0.0 109.583 174.282 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 57' ' ' GLU . . . . . 0.458 ' HG2' HD12 ' A' ' 41' ' ' ILE . 36.3 tt0 -61.97 -35.21 77.8 Favored 'General case' 0 C--N 1.328 -0.33 0 N-CA-C 109.971 -0.381 . . . . 0.0 109.971 175.966 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 58' ' ' VAL . . . . . 0.582 HG13 HG12 ' A' ' 38' ' ' ILE . 85.5 t -61.35 -56.67 16.31 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.393 0 CA-C-O 121.098 0.475 . . . . 0.0 110.919 172.835 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 59' ' ' ILE . . . . . . . . . . . . . 1.8 mp -56.39 -45.23 81.59 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.408 0 CA-C-N 116.022 -0.536 . . . . 0.0 110.327 178.765 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 60' ' ' ARG . . . . . 0.4 HH11 ' HD3' ' A' ' 60' ' ' ARG . 43.4 ttt-85 -64.59 -34.87 79.27 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 115.539 -0.755 . . . . 0.0 110.702 -179.442 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 61' ' ' ARG . . . . . 0.578 ' HB3' ' O ' ' A' ' 58' ' ' VAL . 8.8 tpt180 -52.39 -43.33 64.67 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 115.82 -0.627 . . . . 0.0 110.195 175.349 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 62' ' ' PHE . . . . . . . . . . . . . 91.7 m-85 -79.33 -40.38 30.45 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 115.955 -0.566 . . . . 0.0 111.457 177.848 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 35.5 mt-10 -60.31 -36.08 77.08 Favored 'General case' 0 N--CA 1.466 0.344 0 N-CA-C 111.741 0.274 . . . . 0.0 111.741 179.947 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 29.1 t70 -60.02 -28.74 67.99 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 116.021 -0.536 . . . . 0.0 111.018 -179.475 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 41.4 mtm-85 -99.8 -3.17 33.28 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.037 -179.728 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 92.54 1.5 68.55 Favored Glycine 0 N--CA 1.45 -0.429 0 C-N-CA 120.561 -0.828 . . . . 0.0 113.225 174.028 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 67' ' ' ALA . . . . . 0.404 ' HB1' ' HB2' ' A' ' 70' ' ' ARG . . . -77.71 85.87 4.01 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-O 121.052 0.453 . . . . 0.0 110.142 179.155 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 68' ' ' MET . . . . . 0.553 ' HA ' ' CE ' ' A' ' 68' ' ' MET . 0.0 OUTLIER -70.71 -45.0 65.73 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-N 115.926 -0.579 . . . . 0.0 110.826 -174.382 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 49.9 mt-10 -60.48 -47.39 86.36 Favored 'General case' 0 CA--C 1.516 -0.359 0 CA-C-O 120.995 0.426 . . . . 0.0 110.499 179.224 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 70' ' ' ARG . . . . . 0.539 ' HA ' ' HB2' ' A' ' 73' ' ' LYS . 62.5 mtt85 -74.78 -18.85 60.41 Favored 'General case' 0 C--N 1.323 -0.57 0 CA-C-N 115.783 -0.644 . . . . 0.0 111.883 -174.06 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -70.13 -42.96 71.93 Favored 'General case' 0 C--N 1.327 -0.41 0 N-CA-C 109.387 -0.598 . . . . 0.0 109.387 170.386 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 72' ' ' ASN . . . . . . . . . . . . . 57.3 t30 -71.17 -39.19 72.04 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 115.448 -0.796 . . . . 0.0 110.252 177.44 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 73' ' ' LYS . . . . . 0.539 ' HB2' ' HA ' ' A' ' 70' ' ' ARG . 67.8 mttm -56.88 -41.65 78.4 Favored 'General case' 0 CA--C 1.519 -0.235 0 CA-C-N 115.994 -0.548 . . . . 0.0 110.576 175.829 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -59.49 -49.75 76.57 Favored 'General case' 0 N--CA 1.453 -0.302 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.285 177.955 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 75' ' ' ARG . . . . . 0.405 ' NH2' ' HB2' ' A' ' 100' ' ' ALA . 41.9 ttt180 -57.45 -48.24 79.69 Favored 'General case' 0 CA--C 1.532 0.259 0 CA-C-O 120.871 0.367 . . . . 0.0 110.824 177.36 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 85.3 mtt180 -65.21 -46.01 82.42 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.099 -0.5 . . . . 0.0 112.239 -177.373 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 77' ' ' ARG . . . . . 0.467 ' O ' HG23 ' A' ' 81' ' ' VAL . 26.7 mmt180 -73.21 -39.14 65.76 Favored 'General case' 0 C--N 1.326 -0.424 0 N-CA-C 111.654 0.242 . . . . 0.0 111.654 -177.093 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 78' ' ' CYS . . . . . . . . . . . . . 78.5 m -62.73 -41.44 99.17 Favored 'General case' 0 C--N 1.328 -0.35 0 N-CA-C 109.49 -0.559 . . . . 0.0 109.49 174.833 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . -63.1 -26.7 69.46 Favored Glycine 0 N--CA 1.452 -0.258 0 C-N-CA 121.16 -0.543 . . . . 0.0 112.209 176.991 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 31.8 tt0 -75.51 -33.69 60.76 Favored 'General case' 0 C--N 1.326 -0.413 0 N-CA-C 109.549 -0.538 . . . . 0.0 109.549 176.693 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 81' ' ' VAL . . . . . 0.467 HG23 ' O ' ' A' ' 77' ' ' ARG . 61.1 t -66.76 -43.0 90.2 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.23 0 CA-C-N 115.895 -0.593 . . . . 0.0 109.944 173.822 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 82' ' ' PHE . . . . . 0.504 ' O ' HG13 ' A' ' 86' ' ' ILE . 58.3 m-85 -59.19 -42.99 92.19 Favored 'General case' 0 C--O 1.231 0.086 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.254 174.813 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 83' ' ' ARG . . . . . 0.447 ' O ' HG23 ' A' ' 87' ' ' VAL . 34.6 ttt-85 -58.16 -47.48 83.24 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-N 116.361 -0.381 . . . . 0.0 110.305 176.586 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 84' ' ' TYR . . . . . . . . . . . . . 82.7 t80 -59.94 -37.91 80.9 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 115.981 -0.554 . . . . 0.0 110.26 178.519 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 85' ' ' ALA . . . . . 0.507 ' HA ' HG22 ' A' ' 88' ' ' THR . . . -64.26 -35.0 79.4 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.98 177.357 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 86' ' ' ILE . . . . . 0.504 HG13 ' O ' ' A' ' 82' ' ' PHE . 67.9 mt -68.85 -46.16 79.65 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.52 0 N-CA-C 109.84 -0.43 . . . . 0.0 109.84 175.528 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 87' ' ' VAL . . . . . 0.447 HG23 ' O ' ' A' ' 83' ' ' ARG . 82.0 t -62.45 -36.35 74.39 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.248 0 CA-C-N 115.885 -0.598 . . . . 0.0 111.317 -179.607 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 88' ' ' THR . . . . . 0.507 HG22 ' HA ' ' A' ' 85' ' ' ALA . 6.1 t -82.34 -3.77 56.02 Favored 'General case' 0 CA--C 1.535 0.385 0 CA-C-O 121.067 0.461 . . . . 0.0 110.609 179.901 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . 79.84 42.53 11.04 Favored Glycine 0 N--CA 1.452 -0.263 0 C-N-CA 121.023 -0.608 . . . . 0.0 113.23 174.941 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 90' ' ' ARG . . . . . 0.544 HH11 HG12 ' A' ' 10' ' ' ILE . 82.1 mtt180 -120.64 -40.92 2.61 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-O 120.787 0.327 . . . . 0.0 111.063 177.125 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . -106.05 165.96 10.84 Favored 'General case' 0 C--N 1.325 -0.5 0 CA-C-N 116.563 -0.29 . . . . 0.0 110.807 -179.124 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 63.3 mttm -108.63 -46.25 3.7 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 116.303 -0.408 . . . . 0.0 111.255 -179.578 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 93' ' ' TYR . . . . . . . . . . . . . 53.5 p90 -145.63 166.59 25.33 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.06 -178.592 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 94' ' ' ASN . . . . . 0.434 ' O ' ' HD2' ' A' ' 97' ' ' PRO . 1.4 m-80 -95.52 131.29 29.87 Favored Pre-proline 0 C--N 1.323 -0.579 0 N-CA-C 108.99 -0.744 . . . . 0.0 108.99 177.666 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 95' ' ' PRO . . . . . . . . . . . . . 74.2 Cg_endo -76.67 17.85 0.76 Allowed 'Trans proline' 0 N--CA 1.464 -0.206 0 C-N-CA 122.439 2.093 . . . . 0.0 112.049 177.828 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 96' ' ' ALA . . . . . 0.525 ' N ' ' HD2' ' A' ' 97' ' ' PRO . . . -57.64 -49.11 95.66 Favored Pre-proline 0 CA--C 1.536 0.406 0 CA-C-N 115.882 -0.599 . . . . 0.0 112.003 179.607 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 97' ' ' PRO . . . . . 0.525 ' HD2' ' N ' ' A' ' 96' ' ' ALA . 11.5 Cg_endo -56.38 -42.54 64.78 Favored 'Trans proline' 0 C--N 1.356 0.95 0 C-N-CA 122.228 1.952 . . . . 0.0 112.591 175.88 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 1.1 t70 -71.54 -33.33 69.06 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-O 121.245 0.545 . . . . 0.0 110.045 -178.27 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 99' ' ' LEU . . . . . . . . . . . . . 3.1 tm? -59.07 -40.09 84.11 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 115.446 -0.797 . . . . 0.0 109.675 173.392 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 100' ' ' ALA . . . . . 0.448 ' O ' ' HB2' ' A' ' 104' ' ' LYS . . . -65.57 -34.43 78.21 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 115.741 -0.663 . . . . 0.0 110.627 179.384 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -75.75 -32.34 59.93 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.392 -0.367 . . . . 0.0 111.563 178.791 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -63.1 -51.54 66.19 Favored 'General case' 0 C--N 1.327 -0.395 0 N-CA-C 109.819 -0.437 . . . . 0.0 109.819 174.721 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 103' ' ' MET . . . . . . . . . . . . . 32.2 ttm -59.77 -33.81 72.17 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 115.527 -0.76 . . . . 0.0 110.668 175.06 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 104' ' ' LYS . . . . . 0.448 ' HB2' ' O ' ' A' ' 100' ' ' ALA . 86.1 tttt -66.02 -57.65 7.29 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 115.147 -0.933 . . . . 0.0 110.972 -179.291 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 105' ' ' GLY . . . . . . . . . . . . . . . -72.4 -18.67 78.44 Favored Glycine 0 N--CA 1.451 -0.342 0 CA-C-N 115.663 -0.699 . . . . 0.0 112.278 -179.538 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 106' ' ' TYR . . . . . . . . . . . . . 67.5 t80 -56.99 -33.3 66.98 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-O 120.894 0.378 . . . . 0.0 111.002 177.689 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 107' ' ' ARG . . . . . . . . . . . . . 89.8 mtt-85 -78.49 12.74 1.85 Allowed 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.68 -174.013 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 108' ' ' LYS . . . . . . . . . . . . . 67.8 mttm -91.83 -23.49 19.67 Favored 'General case' 0 C--N 1.327 -0.386 0 N-CA-C 109.157 -0.683 . . . . 0.0 109.157 169.827 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 109' ' ' LYS . . . . . . . . . . . . . 78.3 tttt 73.52 -48.77 0.68 Allowed 'General case' 0 N--CA 1.468 0.474 0 CA-C-N 114.79 -1.096 . . . . 0.0 111.464 -178.458 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 110' ' ' ASN . . . . . . . . . . . . . 59.3 t30 -105.79 131.23 53.39 Favored 'General case' 0 C--N 1.322 -0.589 0 N-CA-C 109.397 -0.594 . . . . 0.0 109.397 174.919 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 111' ' ' LEU . . . . . 0.485 HD12 ' ND1' ' A' ' 117' ' ' HIS . 89.1 mt -86.03 172.63 10.48 Favored 'General case' 0 C--N 1.323 -0.556 0 CA-C-O 121.326 0.584 . . . . 0.0 111.486 -176.691 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 112' ' ' GLU . . . . . . . . . . . . . 5.3 pt-20 -67.14 -24.68 65.92 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 115.206 -0.906 . . . . 0.0 111.629 -179.476 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 113' ' ' HIS . . . . . 0.454 ' HB3' ' O ' ' A' ' 115' ' ' HIS . 21.7 m80 -127.88 123.4 34.95 Favored 'General case' 0 C--N 1.322 -0.612 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.903 -177.811 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 114' ' ' HIS . . . . . . . . . . . . . 11.1 t-80 -77.66 -35.33 52.55 Favored 'General case' 0 C--N 1.326 -0.417 0 N-CA-C 109.459 -0.571 . . . . 0.0 109.459 176.368 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 115' ' ' HIS . . . . . 0.454 ' O ' ' HB3' ' A' ' 113' ' ' HIS . 61.4 m-70 -102.62 140.22 37.19 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-N 115.736 -0.665 . . . . 0.0 109.378 170.922 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 116' ' ' HIS . . . . . . . . . . . . . 58.8 t-80 62.58 83.47 0.16 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 121.467 0.651 . . . . 0.0 110.483 -178.293 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 117' ' ' HIS . . . . . 0.485 ' ND1' HD12 ' A' ' 111' ' ' LEU . 53.9 m-70 -87.84 -26.07 22.99 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-N 115.531 -0.759 . . . . 0.0 109.73 -179.502 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 118' ' ' HIS . . . . . . . . . . . . . 50.7 t-80 . . . . . 0 C--O 1.246 0.914 0 CA-C-N 115.332 -0.849 . . . . 0.0 110.229 -178.024 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 22.9 m . . . . . 0 N--CA 1.475 0.802 0 CA-C-O 120.879 0.371 . . . . 0.0 110.256 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 50.9 m -129.45 112.33 13.69 Favored 'General case' 0 C--N 1.322 -0.595 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.313 -175.621 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 3' ' ' ASN . . . . . . . . . . . . . 93.3 m-20 61.12 85.7 0.11 Allowed 'General case' 0 C--N 1.333 -0.15 0 CA-C-N 115.458 -0.792 . . . . 0.0 110.615 -177.392 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 4' ' ' ASN . . . . . 0.411 ' O ' ' HG2' ' A' ' 46' ' ' GLU . 19.0 m-80 -87.78 -11.48 47.9 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 115.72 -0.673 . . . . 0.0 110.079 -178.224 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 47.9 t30 61.66 32.16 18.51 Favored 'General case' 0 N--CA 1.465 0.287 0 CA-C-N 115.417 -0.81 . . . . 0.0 110.027 -179.711 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 5.9 m -66.11 141.59 58.06 Favored 'General case' 0 C--O 1.238 0.461 0 CA-C-N 115.336 -0.847 . . . . 0.0 110.763 -178.858 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 7' ' ' PHE . . . . . 0.426 ' HE1' ' CZ ' ' A' ' 34' ' ' PHE . 19.7 t80 -55.33 -48.07 74.71 Favored 'General case' 0 C--N 1.324 -0.539 0 CA-C-N 115.727 -0.669 . . . . 0.0 110.782 -178.963 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 8' ' ' SER . . . . . 0.559 ' HA ' ' HB3' ' A' ' 11' ' ' TYR . 49.7 m -60.68 -31.44 70.68 Favored 'General case' 0 N--CA 1.462 0.159 0 N-CA-C 112.29 0.478 . . . . 0.0 112.29 -178.917 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -65.56 -49.83 67.41 Favored 'General case' 0 C--O 1.236 0.386 0 CA-C-O 121.197 0.522 . . . . 0.0 110.284 -179.629 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 10' ' ' ILE . . . . . 0.483 HD12 HG21 ' A' ' 47' ' ' ILE . 60.4 mt -70.81 -34.59 56.84 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.433 0 CA-C-N 115.712 -0.676 . . . . 0.0 110.086 177.811 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 11' ' ' TYR . . . . . 0.559 ' HB3' ' HA ' ' A' ' 8' ' ' SER . 2.9 t80 -54.7 -44.69 73.64 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 115.987 -0.551 . . . . 0.0 111.182 175.716 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 79.1 tttt -66.09 -45.68 80.36 Favored 'General case' 0 C--N 1.328 -0.333 0 C-N-CA 120.875 -0.33 . . . . 0.0 110.792 -179.954 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 30.6 tt0 -61.2 -45.04 96.22 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-O 121.18 0.514 . . . . 0.0 109.764 179.215 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 14' ' ' TRP . . . . . 0.427 ' CZ2' ' HH2' ' A' ' 22' ' ' TRP . 57.3 t90 -57.75 -50.39 73.4 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 115.086 -0.961 . . . . 0.0 110.775 176.308 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 15' ' ' TYR . . . . . . . . . . . . . 22.1 t80 -57.85 -51.13 70.87 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 115.544 -0.753 . . . . 0.0 111.557 179.613 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 42.2 tt0 -65.8 -31.84 73.03 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-O 121.017 0.437 . . . . 0.0 110.968 -176.558 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 17' ' ' HIS . . . . . . . . . . . . . 86.0 t60 -75.05 -51.55 13.26 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.86 179.457 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 6.8 mmmm -75.86 -7.49 54.62 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.448 -0.342 . . . . 0.0 111.223 -177.066 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 56.4 tttm -60.32 -27.9 67.71 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.043 -0.526 . . . . 0.0 110.65 174.048 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 17.6 mt-30 -74.77 -19.94 60.01 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 115.964 -0.562 . . . . 0.0 110.267 179.334 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 39.2 t -91.26 -40.47 12.55 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.518 0 CA-C-N 115.894 -0.593 . . . . 0.0 110.659 -176.612 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 22' ' ' TRP . . . . . 0.427 ' HH2' ' CZ2' ' A' ' 14' ' ' TRP . 9.3 m0 -91.47 -179.85 5.49 Favored 'General case' 0 C--N 1.322 -0.607 0 CA-C-O 121.215 0.531 . . . . 0.0 110.846 -179.149 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 10.4 m -87.27 147.4 25.55 Favored 'General case' 0 C--N 1.322 -0.596 0 N-CA-C 108.915 -0.772 . . . . 0.0 108.915 173.081 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 13.7 p -60.54 -43.49 94.58 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.359 0 N-CA-C 112.023 0.379 . . . . 0.0 112.023 -172.108 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -66.26 -45.42 86.52 Favored Glycine 0 N--CA 1.452 -0.237 0 C-N-CA 120.761 -0.733 . . . . 0.0 111.775 -179.902 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 26' ' ' TYR . . . . . . . . . . . . . 86.8 t80 -58.58 -46.81 86.14 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-O 120.791 0.329 . . . . 0.0 110.327 176.793 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -62.73 -36.64 83.65 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.022 -0.535 . . . . 0.0 111.012 -179.791 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 75.7 m -64.16 -49.33 72.52 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.402 -0.363 . . . . 0.0 111.054 179.063 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 25.2 mt-10 -68.43 -31.21 70.36 Favored 'General case' 0 C--N 1.329 -0.284 0 C-N-CA 120.926 -0.309 . . . . 0.0 110.917 -179.606 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 14.3 tp -63.6 -53.37 52.69 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.202 -0.454 . . . . 0.0 109.984 174.109 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -62.62 -42.99 99.9 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 115.464 -0.789 . . . . 0.0 111.301 -178.179 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 61.7 tttp -60.76 -43.53 97.89 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.559 -0.291 . . . . 0.0 110.998 179.803 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 33' ' ' MET . . . . . 0.473 ' SD ' ' HD3' ' A' ' 70' ' ' ARG . 53.0 ttp -63.02 -45.53 91.89 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-O 121.346 0.593 . . . . 0.0 110.061 177.796 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 34' ' ' PHE . . . . . 0.548 ' O ' ' HB ' ' A' ' 38' ' ' ILE . 4.9 t80 -60.65 -33.04 72.22 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-N 115.399 -0.819 . . . . 0.0 110.0 178.8 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 35' ' ' ASP . . . . . 0.739 ' O ' ' HB2' ' A' ' 39' ' ' LEU . 14.2 t70 -79.43 -59.24 2.83 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 116.113 -0.494 . . . . 0.0 111.439 -178.526 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 27.5 m-20 -67.58 -14.1 62.64 Favored 'General case' 0 C--N 1.327 -0.384 0 N-CA-C 112.632 0.604 . . . . 0.0 112.632 -173.067 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 -110.3 -47.71 3.26 Favored 'General case' 0 C--N 1.323 -0.559 0 N-CA-C 112.115 0.413 . . . . 0.0 112.115 179.945 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 38' ' ' ILE . . . . . 0.584 HG12 HG13 ' A' ' 58' ' ' VAL . 16.2 mt -91.41 -30.58 4.79 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.414 0 N-CA-C 112.464 0.542 . . . . 0.0 112.464 -170.387 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 39' ' ' LEU . . . . . 0.739 ' HB2' ' O ' ' A' ' 35' ' ' ASP . 0.4 OUTLIER -58.61 -48.25 97.24 Favored Pre-proline 0 N--CA 1.469 0.509 0 N-CA-C 112.728 0.64 . . . . 0.0 112.728 -177.002 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 18.7 Cg_exo -68.44 4.36 1.7 Allowed 'Trans proline' 0 C--N 1.355 0.902 0 C-N-CA 122.168 1.912 . . . . 0.0 112.809 179.045 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 41' ' ' ILE . . . . . 0.408 HG22 HG23 ' A' ' 42' ' ' ILE . 32.9 mm -110.74 -60.59 2.81 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 CA-C-O 120.615 0.245 . . . . 0.0 111.242 -179.816 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 42' ' ' ILE . . . . . 0.484 HG22 ' HB3' ' A' ' 54' ' ' GLN . 27.7 pt -125.24 16.23 4.34 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.197 0 N-CA-C 112.425 0.528 . . . . 0.0 112.425 -174.033 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 43' ' ' GLY . . . . . 0.486 ' HA3' HD13 ' A' ' 39' ' ' LEU . . . -52.07 -53.15 31.96 Favored Glycine 0 CA--C 1.521 0.412 0 C-N-CA 120.947 -0.644 . . . . 0.0 113.433 -175.274 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -94.24 18.63 56.48 Favored Glycine 0 N--CA 1.448 -0.5 0 C-N-CA 120.703 -0.76 . . . . 0.0 113.404 -176.171 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 45' ' ' LEU . . . . . 0.448 HD12 HG22 ' A' ' 42' ' ' ILE . 85.8 mt -92.73 150.86 20.38 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 117.38 0.59 . . . . 0.0 110.24 179.088 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 46' ' ' GLU . . . . . 0.468 ' O ' HG13 ' A' ' 50' ' ' ILE . 44.3 mt-10 -69.64 131.95 45.42 Favored 'General case' 0 CA--C 1.513 -0.453 0 N-CA-C 109.914 -0.402 . . . . 0.0 109.914 176.986 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 47' ' ' ILE . . . . . 0.504 HD13 ' HB2' ' A' ' 85' ' ' ALA . 15.1 tt -64.45 -16.45 19.36 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.766 0 CA-C-O 121.21 0.529 . . . . 0.0 111.2 -177.05 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 52.8 tt0 -99.12 -10.8 22.07 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-N 115.978 -0.556 . . . . 0.0 110.578 -179.437 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 36.7 t70 -140.0 85.02 2.0 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-O 121.215 0.531 . . . . 0.0 110.52 -178.184 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 50' ' ' ILE . . . . . 0.468 HG13 ' O ' ' A' ' 46' ' ' GLU . 71.6 mt -124.01 129.21 74.33 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.669 0 CA-C-N 115.9 -0.591 . . . . 0.0 109.958 178.112 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 46.2 mm-40 -66.6 135.82 94.63 Favored Pre-proline 0 C--N 1.325 -0.478 0 CA-C-N 115.764 -0.653 . . . . 0.0 110.261 178.453 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 52' ' ' PRO . . . . . . . . . . . . . 52.0 Cg_exo -54.0 -32.83 70.3 Favored 'Trans proline' 0 C--N 1.344 0.294 0 C-N-CA 122.813 2.342 . . . . 0.0 111.815 178.342 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 53' ' ' MET . . . . . . . . . . . . . 82.9 mtp -59.56 -43.2 93.64 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 115.747 -0.66 . . . . 0.0 110.331 178.283 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 54' ' ' GLN . . . . . 0.484 ' HB3' HG22 ' A' ' 42' ' ' ILE . 7.8 mp0 -73.57 -43.09 60.67 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 115.835 -0.62 . . . . 0.0 111.572 -177.475 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 55' ' ' LEU . . . . . 0.487 HD23 ' HB2' ' A' ' 99' ' ' LEU . 22.6 tp -65.25 -37.97 88.89 Favored 'General case' 0 C--N 1.324 -0.542 0 CA-C-O 121.42 0.629 . . . . 0.0 109.765 -179.991 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 56' ' ' LEU . . . . . 0.4 ' HA ' HD21 ' A' ' 99' ' ' LEU . 3.2 tp -69.21 -33.51 73.42 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 115.871 -0.604 . . . . 0.0 109.539 176.064 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 12.2 tp10 -62.34 -29.9 70.79 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.068 177.711 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 58' ' ' VAL . . . . . 0.584 HG13 HG12 ' A' ' 38' ' ' ILE . 52.2 t -64.66 -55.76 19.53 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.178 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.412 173.771 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 59' ' ' ILE . . . . . 0.489 HG23 ' HB1' ' A' ' 71' ' ' ALA . 1.8 mp -59.52 -39.1 78.42 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.363 0 CA-C-O 121.11 0.481 . . . . 0.0 109.905 177.162 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 13.3 tpt180 -65.9 -27.16 67.99 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 115.617 -0.72 . . . . 0.0 110.694 179.056 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 61' ' ' ARG . . . . . 0.562 ' HB3' ' O ' ' A' ' 58' ' ' VAL . 3.4 tpm_? -63.61 -41.4 98.3 Favored 'General case' 0 C--N 1.327 -0.384 0 N-CA-C 109.62 -0.511 . . . . 0.0 109.62 175.683 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 62' ' ' PHE . . . . . . . . . . . . . 96.4 m-85 -75.78 -31.85 59.67 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 115.676 -0.693 . . . . 0.0 111.157 177.23 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 37.5 mt-10 -68.09 -29.61 68.59 Favored 'General case' 0 N--CA 1.463 0.181 0 CA-C-O 121.001 0.429 . . . . 0.0 110.07 174.581 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 64' ' ' ASP . . . . . 0.539 ' HB3' ' O ' ' A' ' 61' ' ' ARG . 8.8 t70 -59.35 -45.01 92.57 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 115.504 -0.771 . . . . 0.0 109.788 172.772 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 47.7 mtp180 -69.68 -30.12 67.71 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 115.275 -0.875 . . . . 0.0 110.489 177.157 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 100.56 -0.39 55.54 Favored Glycine 0 N--CA 1.449 -0.486 0 CA-C-N 115.814 -0.63 . . . . 0.0 111.939 179.186 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -82.71 94.23 7.55 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-O 120.799 0.333 . . . . 0.0 110.871 -177.787 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 68' ' ' MET . . . . . 0.527 ' HA ' ' CE ' ' A' ' 68' ' ' MET . 7.1 mmt -65.9 -37.85 87.19 Favored 'General case' 0 C--N 1.324 -0.528 0 CA-C-N 116.028 -0.533 . . . . 0.0 110.176 -179.715 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 38.4 mt-10 -61.64 -46.86 87.99 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 115.459 -0.792 . . . . 0.0 110.576 179.45 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 70' ' ' ARG . . . . . 0.473 ' HD3' ' SD ' ' A' ' 33' ' ' MET . 52.4 mtt180 -74.5 -27.02 60.37 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 115.809 -0.632 . . . . 0.0 111.293 -176.509 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 71' ' ' ALA . . . . . 0.489 ' HB1' HG23 ' A' ' 59' ' ' ILE . . . -66.11 -50.5 63.85 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-O 121.389 0.614 . . . . 0.0 110.208 176.419 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 72' ' ' ASN . . . . . . . . . . . . . 45.1 t-20 -63.19 -41.33 99.18 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 115.305 -0.861 . . . . 0.0 109.765 178.36 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 79.4 tttt -67.38 -35.84 80.15 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 115.66 -0.7 . . . . 0.0 111.066 -179.64 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -57.92 -45.3 86.76 Favored 'General case' 0 CA--C 1.518 -0.272 0 N-CA-C 110.301 -0.259 . . . . 0.0 110.301 177.631 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 47.6 ttt-85 -58.18 -47.94 81.84 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.699 177.765 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 50.0 mtt180 -65.35 -34.66 78.85 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.085 -0.507 . . . . 0.0 111.736 -178.309 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 77' ' ' ARG . . . . . 0.564 ' O ' HG23 ' A' ' 81' ' ' VAL . 10.7 mmt-85 -80.45 -31.33 37.47 Favored 'General case' 0 C--N 1.324 -0.532 0 C-N-CA 120.76 -0.376 . . . . 0.0 111.159 -178.926 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 78' ' ' CYS . . . . . . . . . . . . . 72.6 m -65.81 -41.32 92.03 Favored 'General case' 0 C--N 1.328 -0.364 0 N-CA-C 109.07 -0.715 . . . . 0.0 109.07 170.658 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . -60.19 -37.7 93.33 Favored Glycine 0 N--CA 1.449 -0.464 0 CA-C-N 115.652 -0.704 . . . . 0.0 111.921 174.781 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 5.5 tp10 -61.68 -39.02 89.95 Favored 'General case' 0 CA--C 1.533 0.31 0 CA-C-O 120.861 0.363 . . . . 0.0 110.411 175.227 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 81' ' ' VAL . . . . . 0.564 HG23 ' O ' ' A' ' 77' ' ' ARG . 46.9 t -68.26 -45.24 83.09 Favored 'Isoleucine or valine' 0 C--O 1.233 0.209 0 CA-C-N 116.476 -0.329 . . . . 0.0 110.313 177.098 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 82' ' ' PHE . . . . . 0.503 ' O ' HG13 ' A' ' 86' ' ' ILE . 35.0 m-85 -58.16 -45.54 87.27 Favored 'General case' 0 N--CA 1.465 0.276 0 CA-C-O 121.083 0.468 . . . . 0.0 109.956 174.948 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 83' ' ' ARG . . . . . 0.45 ' O ' HG23 ' A' ' 87' ' ' VAL . 43.9 ttt-85 -54.55 -51.18 66.01 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 115.316 -0.856 . . . . 0.0 110.62 177.048 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 84' ' ' TYR . . . . . . . . . . . . . 63.4 t80 -58.76 -43.06 90.23 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 115.609 -0.723 . . . . 0.0 110.577 177.995 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 85' ' ' ALA . . . . . 0.504 ' HB2' HD13 ' A' ' 47' ' ' ILE . . . -65.22 -40.22 93.8 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 116.058 -0.519 . . . . 0.0 111.556 -179.061 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 86' ' ' ILE . . . . . 0.503 HG13 ' O ' ' A' ' 82' ' ' PHE . 67.7 mt -62.18 -47.39 93.35 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.391 0 CA-C-O 120.773 0.32 . . . . 0.0 110.307 177.43 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 87' ' ' VAL . . . . . 0.45 HG23 ' O ' ' A' ' 83' ' ' ARG . 85.5 t -62.26 -32.83 56.08 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.378 0 CA-C-N 115.957 -0.565 . . . . 0.0 110.985 179.534 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 88' ' ' THR . . . . . . . . . . . . . 31.1 p -91.63 9.46 32.18 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-N 116.265 -0.425 . . . . 0.0 111.285 -179.171 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . 68.27 27.7 73.62 Favored Glycine 0 C--N 1.334 0.452 0 CA-C-N 116.049 -0.523 . . . . 0.0 113.865 173.944 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 54.9 mtm180 -111.53 -13.2 13.86 Favored 'General case' 0 C--N 1.323 -0.574 0 CA-C-N 116.87 0.335 . . . . 0.0 111.483 179.72 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . -122.34 111.29 16.71 Favored 'General case' 0 C--N 1.323 -0.566 0 CA-C-O 120.938 0.399 . . . . 0.0 110.711 177.88 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 64.3 tttm -90.42 -23.44 21.04 Favored 'General case' 0 C--N 1.323 -0.582 0 CA-C-N 115.83 -0.623 . . . . 0.0 110.092 178.106 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 93' ' ' TYR . . . . . . . . . . . . . 71.5 t80 -147.28 145.37 29.37 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 115.738 -0.665 . . . . 0.0 109.781 179.003 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 94' ' ' ASN . . . . . 0.457 ' HA ' ' HD3' ' A' ' 95' ' ' PRO . 31.6 p30 -130.77 146.53 62.37 Favored Pre-proline 0 N--CA 1.452 -0.327 0 CA-C-O 120.984 0.421 . . . . 0.0 110.461 176.37 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 95' ' ' PRO . . . . . 0.457 ' HD3' ' HA ' ' A' ' 94' ' ' ASN . 1.8 Cg_endo -86.1 25.39 0.69 Allowed 'Trans proline' 0 N--CA 1.457 -0.631 0 C-N-CA 123.284 2.656 . . . . 0.0 111.975 177.855 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 96' ' ' ALA . . . . . 0.435 ' HB3' ' HD3' ' A' ' 97' ' ' PRO . . . -61.37 -54.26 54.48 Favored Pre-proline 0 CA--C 1.539 0.553 0 N-CA-C 112.597 0.591 . . . . 0.0 112.597 -175.252 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 97' ' ' PRO . . . . . 0.435 ' HD3' ' HB3' ' A' ' 96' ' ' ALA . 56.5 Cg_endo -71.98 -28.99 15.56 Favored 'Trans proline' 0 C--N 1.354 0.831 0 C-N-CA 121.567 1.511 . . . . 0.0 111.949 178.493 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 28.7 t70 -72.73 -31.86 65.28 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-N 115.768 -0.651 . . . . 0.0 110.437 -177.588 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 99' ' ' LEU . . . . . 0.487 ' HB2' HD23 ' A' ' 55' ' ' LEU . 3.2 tm? -61.4 -39.99 92.75 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 115.94 -0.573 . . . . 0.0 109.794 175.073 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 100' ' ' ALA . . . . . . . . . . . . . . . -64.15 -40.21 95.66 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 115.638 -0.71 . . . . 0.0 110.589 179.505 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 18.7 t70 -67.7 -36.93 81.55 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 115.528 -0.76 . . . . 0.0 110.345 179.079 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -63.71 -55.64 21.76 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 115.89 -0.595 . . . . 0.0 110.767 177.759 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 103' ' ' MET . . . . . . . . . . . . . 44.2 ttm -50.29 -42.89 53.13 Favored 'General case' 0 N--CA 1.465 0.285 0 CA-C-O 120.841 0.353 . . . . 0.0 111.405 175.506 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 104' ' ' LYS . . . . . . . . . . . . . 79.6 tttt -57.09 -48.48 78.5 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 115.889 -0.596 . . . . 0.0 111.448 179.746 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 105' ' ' GLY . . . . . . . . . . . . . . . -89.82 5.09 83.62 Favored Glycine 0 N--CA 1.45 -0.397 0 C-N-CA 120.972 -0.632 . . . . 0.0 112.946 -176.004 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 106' ' ' TYR . . . . . . . . . . . . . 76.5 t80 -67.39 -41.42 85.01 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.74 0.27 . . . . 0.0 111.246 -177.133 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 107' ' ' ARG . . . . . . . . . . . . . 44.6 mtm-85 -64.29 -35.06 79.61 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.273 -0.421 . . . . 0.0 111.412 -176.182 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 108' ' ' LYS . . . . . . . . . . . . . 60.2 mttp 58.52 47.64 13.15 Favored 'General case' 0 N--CA 1.465 0.283 0 O-C-N 123.376 0.423 . . . . 0.0 111.202 174.891 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 109' ' ' LYS . . . . . . . . . . . . . 51.6 tttp -74.28 89.37 2.05 Favored 'General case' 0 C--N 1.326 -0.418 0 N-CA-C 109.312 -0.625 . . . . 0.0 109.312 177.223 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 110' ' ' ASN . . . . . . . . . . . . . 90.7 m-20 -83.51 134.04 34.86 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-N 115.417 -0.81 . . . . 0.0 111.761 -172.351 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 111' ' ' LEU . . . . . . . . . . . . . 84.6 mt -89.65 -160.46 0.68 Allowed 'General case' 0 C--N 1.322 -0.599 0 CA-C-N 115.41 -0.813 . . . . 0.0 108.863 172.794 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 112' ' ' GLU . . . . . . . . . . . . . 31.5 mt-10 -85.87 160.65 19.37 Favored 'General case' 0 C--N 1.321 -0.645 0 C-N-CA 120.79 -0.364 . . . . 0.0 110.046 175.64 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 113' ' ' HIS . . . . . . . . . . . . . 63.0 t60 -90.81 9.76 28.88 Favored 'General case' 0 C--N 1.325 -0.473 0 N-CA-C 108.664 -0.865 . . . . 0.0 108.664 173.327 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 114' ' ' HIS . . . . . . . . . . . . . 28.5 m170 -87.55 174.77 8.27 Favored 'General case' 0 C--N 1.323 -0.563 0 CA-C-N 114.98 -1.009 . . . . 0.0 108.764 173.786 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 115' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -145.95 5.54 1.0 Allowed 'General case' 0 C--N 1.322 -0.618 0 C-N-CA 120.295 -0.562 . . . . 0.0 111.221 173.301 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 116' ' ' HIS . . . . . . . . . . . . . 44.3 t60 -76.63 -31.71 57.57 Favored 'General case' 0 C--N 1.326 -0.415 0 N-CA-C 108.455 -0.943 . . . . 0.0 108.455 169.956 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 117' ' ' HIS . . . . . . . . . . . . . 46.3 m170 -87.57 156.95 19.28 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 115.295 -0.866 . . . . 0.0 109.667 170.955 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 118' ' ' HIS . . . . . . . . . . . . . 12.8 t60 . . . . . 0 C--O 1.25 1.106 0 CA-C-O 117.906 -1.045 . . . . 0.0 110.624 174.742 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 31.3 t . . . . . 0 N--CA 1.477 0.876 0 N-CA-C 110.164 -0.31 . . . . 0.0 110.164 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 37.7 m -158.51 165.51 34.39 Favored 'General case' 0 C--N 1.328 -0.343 0 N-CA-C 109.759 -0.46 . . . . 0.0 109.759 178.089 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 3' ' ' ASN . . . . . . . . . . . . . 94.7 m-20 -84.6 -36.14 22.25 Favored 'General case' 0 C--N 1.329 -0.299 0 N-CA-C 108.581 -0.896 . . . . 0.0 108.581 172.285 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 4' ' ' ASN . . . . . . . . . . . . . 11.6 t-20 70.17 92.13 0.09 Allowed 'General case' 0 C--O 1.233 0.222 0 CA-C-N 114.354 -1.294 . . . . 0.0 111.756 171.562 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 5' ' ' ASN . . . . . 0.465 ' OD1' ' HD3' ' A' ' 90' ' ' ARG . 57.6 t30 -111.42 18.68 18.95 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-O 121.476 0.655 . . . . 0.0 109.437 175.329 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 4.2 m -65.28 143.76 57.58 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 115.263 -0.881 . . . . 0.0 110.554 -179.445 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 7' ' ' PHE . . . . . . . . . . . . . 45.4 t80 -57.3 -41.87 80.67 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 116.02 -0.537 . . . . 0.0 110.443 179.593 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 39.7 t -59.31 -36.21 75.22 Favored 'General case' 0 CA--C 1.531 0.231 0 CA-C-N 116.379 -0.373 . . . . 0.0 111.634 179.852 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -67.07 -51.14 58.19 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-O 120.97 0.414 . . . . 0.0 110.836 -177.813 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 64.3 mt -67.56 -33.55 62.86 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 CA-C-N 115.829 -0.623 . . . . 0.0 110.175 178.955 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 4.5 t80 -59.17 -47.13 86.44 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 115.967 -0.56 . . . . 0.0 111.133 175.626 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 86.3 tttt -66.7 -36.35 82.28 Favored 'General case' 0 C--N 1.329 -0.316 0 C-N-CA 120.599 -0.44 . . . . 0.0 110.755 -178.999 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 23.9 mm-40 -61.74 -52.9 62.34 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 120.961 0.41 . . . . 0.0 109.949 174.038 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 14' ' ' TRP . . . . . . . . . . . . . 57.5 t90 -54.47 -46.38 73.34 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 115.491 -0.777 . . . . 0.0 110.345 176.955 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 15' ' ' TYR . . . . . . . . . . . . . 40.7 t80 -56.77 -55.41 34.64 Favored 'General case' 0 N--CA 1.45 -0.45 0 CA-C-N 115.533 -0.758 . . . . 0.0 110.998 178.762 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 17.4 tp10 -58.84 -30.27 67.56 Favored 'General case' 0 CA--C 1.53 0.208 0 CA-C-O 120.791 0.329 . . . . 0.0 111.203 -176.287 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 17' ' ' HIS . . . . . . . . . . . . . 42.7 m-70 -71.57 -52.36 18.55 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.767 0.317 . . . . 0.0 110.693 178.382 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 18' ' ' LYS . . . . . 0.436 ' HA ' ' HD2' ' A' ' 18' ' ' LYS . 9.1 mmmm -77.39 -12.33 59.94 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 121.144 0.497 . . . . 0.0 110.797 -177.17 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 40.7 tttm -67.04 -20.89 65.91 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-N 115.47 -0.786 . . . . 0.0 110.433 176.22 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 97.1 mt-30 -87.65 -13.64 42.13 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-N 115.994 -0.548 . . . . 0.0 110.379 175.911 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 60.4 t -88.2 -51.45 12.51 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.536 0 CA-C-N 115.778 -0.646 . . . . 0.0 110.373 179.272 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 22' ' ' TRP . . . . . . . . . . . . . 6.1 m0 -85.99 168.18 14.37 Favored 'General case' 0 C--N 1.323 -0.584 0 CA-C-N 115.711 -0.677 . . . . 0.0 110.0 179.956 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 18.1 m -73.5 147.75 43.76 Favored 'General case' 0 C--N 1.322 -0.589 0 N-CA-C 109.207 -0.664 . . . . 0.0 109.207 175.414 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 42.8 t -56.85 -42.19 77.52 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 N-CA-C 111.754 0.279 . . . . 0.0 111.754 -175.705 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -62.37 -37.42 94.59 Favored Glycine 0 N--CA 1.453 -0.211 0 C-N-CA 120.942 -0.647 . . . . 0.0 111.899 178.344 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 26' ' ' TYR . . . . . . . . . . . . . 77.3 t80 -74.36 -44.05 53.92 Favored 'General case' 0 C--N 1.325 -0.493 0 N-CA-C 110.076 -0.342 . . . . 0.0 110.076 178.374 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -61.32 -43.71 98.42 Favored 'General case' 0 N--CA 1.454 -0.251 0 CA-C-N 116.075 -0.511 . . . . 0.0 110.794 -179.605 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 39.5 m -64.13 -40.66 96.66 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.949 179.587 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 33.6 tt0 -68.97 -43.48 74.86 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 121.039 0.447 . . . . 0.0 110.793 179.764 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 10.1 tt -60.01 -42.68 94.85 Favored 'General case' 0 C--O 1.237 0.416 0 CA-C-N 116.042 -0.527 . . . . 0.0 109.951 177.67 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -68.98 -36.92 78.41 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 115.64 -0.709 . . . . 0.0 110.914 178.615 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 27.2 tptp -56.32 -44.88 80.39 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 120.696 0.284 . . . . 0.0 110.838 179.879 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 33' ' ' MET . . . . . . . . . . . . . 46.7 ttp -68.75 -42.86 76.97 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.988 178.297 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 34' ' ' PHE . . . . . 0.468 ' HA ' HD13 ' A' ' 38' ' ' ILE . 12.5 t80 -67.48 -47.87 68.8 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.191 -177.291 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 35' ' ' ASP . . . . . 0.689 ' HA ' HD23 ' A' ' 39' ' ' LEU . 0.9 OUTLIER -58.98 -54.63 44.93 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.297 -0.41 . . . . 0.0 111.308 178.905 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 33.4 t70 -66.51 -23.87 66.31 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-N 116.283 -0.417 . . . . 0.0 111.825 -172.655 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 37' ' ' ASP . . . . . 0.605 ' HA ' ' NH1' ' A' ' 61' ' ' ARG . 4.1 m-20 -97.17 -58.03 2.12 Favored 'General case' 0 C--N 1.328 -0.333 0 N-CA-C 112.51 0.559 . . . . 0.0 112.51 179.999 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 38' ' ' ILE . . . . . 0.468 HD13 ' HA ' ' A' ' 34' ' ' PHE . 2.1 mp -69.91 -38.72 76.34 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.567 0 N-CA-C 111.953 0.353 . . . . 0.0 111.953 -171.994 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 39' ' ' LEU . . . . . 0.689 HD23 ' HA ' ' A' ' 35' ' ' ASP . 2.7 mm? -60.56 -52.37 73.27 Favored Pre-proline 0 C--N 1.327 -0.409 0 N-CA-C 112.936 0.717 . . . . 0.0 112.936 -173.753 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 40' ' ' PRO . . . . . 0.422 ' HD3' ' HB2' ' A' ' 39' ' ' LEU . 42.4 Cg_exo -59.52 -22.83 68.27 Favored 'Trans proline' 0 C--N 1.35 0.609 0 C-N-CA 122.074 1.849 . . . . 0.0 112.536 177.615 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 41' ' ' ILE . . . . . 0.622 HG22 HG23 ' A' ' 42' ' ' ILE . 23.4 mm -90.71 -67.25 0.79 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.382 0 CA-C-N 116.393 -0.367 . . . . 0.0 110.919 -178.022 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 42' ' ' ILE . . . . . 0.622 HG23 HG22 ' A' ' 41' ' ' ILE . 9.2 pt -124.37 8.45 4.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 N-CA-C 112.287 0.477 . . . . 0.0 112.287 -173.241 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 43' ' ' GLY . . . . . 0.565 ' HA3' ' HA ' ' A' ' 39' ' ' LEU . . . -57.74 -40.5 92.91 Favored Glycine 0 C--O 1.234 0.132 0 C-N-CA 120.973 -0.632 . . . . 0.0 113.381 -174.924 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -93.06 13.53 67.45 Favored Glycine 0 N--CA 1.446 -0.645 0 C-N-CA 120.83 -0.7 . . . . 0.0 112.498 -177.604 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 45' ' ' LEU . . . . . 0.46 HD12 HG22 ' A' ' 42' ' ' ILE . 88.3 mt -97.85 149.98 21.78 Favored 'General case' 0 C--N 1.326 -0.433 0 N-CA-C 110.102 -0.333 . . . . 0.0 110.102 179.176 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 46' ' ' GLU . . . . . 0.484 ' O ' HG13 ' A' ' 50' ' ' ILE . 45.2 mt-10 -77.67 139.33 39.43 Favored 'General case' 0 C--N 1.324 -0.516 0 N-CA-C 109.819 -0.437 . . . . 0.0 109.819 179.1 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 47' ' ' ILE . . . . . 0.48 HD13 ' HB2' ' A' ' 85' ' ' ALA . 13.3 tt -62.81 -21.16 27.09 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.606 0 CA-C-N 115.875 -0.602 . . . . 0.0 112.612 -169.888 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 48' ' ' GLN . . . . . 0.423 ' HG3' HD21 ' A' ' 5' ' ' ASN . 95.3 mt-30 -87.69 -18.23 30.0 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.679 0.276 . . . . 0.0 111.386 178.293 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 1.5 m-20 -125.07 32.62 5.36 Favored 'General case' 0 C--N 1.322 -0.621 0 CA-C-O 121.037 0.446 . . . . 0.0 111.65 -169.444 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 50' ' ' ILE . . . . . 0.484 HG13 ' O ' ' A' ' 46' ' ' GLU . 74.7 mt -83.25 129.7 37.02 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.565 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.398 177.175 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 51' ' ' GLU . . . . . 0.411 ' HA ' ' HD3' ' A' ' 52' ' ' PRO . 9.4 mm-40 -69.58 126.67 92.74 Favored Pre-proline 0 C--N 1.325 -0.499 0 CA-C-N 115.922 -0.581 . . . . 0.0 110.611 179.628 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 52' ' ' PRO . . . . . 0.411 ' HD3' ' HA ' ' A' ' 51' ' ' GLU . 50.8 Cg_exo -54.29 -44.77 46.4 Favored 'Trans proline' 0 C--N 1.342 0.205 0 C-N-CA 122.985 2.456 . . . . 0.0 112.643 179.335 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 53' ' ' MET . . . . . 0.571 ' HG3' ' HE2' ' A' ' 106' ' ' TYR . 50.7 ttp -68.56 -25.84 65.11 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 121.001 0.429 . . . . 0.0 110.698 -178.95 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 54' ' ' GLN . . . . . 0.491 ' O ' ' HB3' ' A' ' 57' ' ' GLU . 28.0 tt0 -80.45 -32.35 37.24 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-O 121.482 0.658 . . . . 0.0 109.602 179.016 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 40.2 tp -66.62 -32.42 73.73 Favored 'General case' 0 C--N 1.325 -0.465 0 N-CA-C 108.958 -0.756 . . . . 0.0 108.958 171.633 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 56' ' ' LEU . . . . . 0.475 HD13 ' O ' ' A' ' 56' ' ' LEU . 2.1 tm? -67.43 -35.2 78.77 Favored 'General case' 0 C--O 1.221 -0.403 0 CA-C-N 115.31 -0.859 . . . . 0.0 109.277 174.052 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 57' ' ' GLU . . . . . 0.491 ' HB3' ' O ' ' A' ' 54' ' ' GLN . 9.1 tp10 -55.96 -38.56 70.53 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.557 -0.292 . . . . 0.0 110.26 176.444 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 96.0 t -61.94 -55.78 21.96 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.326 0 CA-C-O 121.077 0.465 . . . . 0.0 110.997 174.441 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 59' ' ' ILE . . . . . . . . . . . . . 1.7 mp -58.89 -40.93 81.48 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.36 0 CA-C-O 121.196 0.522 . . . . 0.0 110.723 179.828 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 60' ' ' ARG . . . . . 0.444 ' HA ' ' CB ' ' A' ' 63' ' ' GLU . 55.4 ttp85 -75.56 -21.8 57.56 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-N 115.763 -0.653 . . . . 0.0 110.779 -178.341 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 61' ' ' ARG . . . . . 0.605 ' NH1' ' HA ' ' A' ' 37' ' ' ASP . 1.5 ttt180 -59.4 -46.27 89.15 Favored 'General case' 0 C--N 1.331 -0.208 0 N-CA-C 108.492 -0.929 . . . . 0.0 108.492 172.495 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 62' ' ' PHE . . . . . . . . . . . . . 96.8 m-85 -70.63 -37.54 73.78 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 115.245 -0.889 . . . . 0.0 110.939 175.246 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 63' ' ' GLU . . . . . 0.444 ' CB ' ' HA ' ' A' ' 60' ' ' ARG . 24.4 tt0 -53.18 -46.58 69.02 Favored 'General case' 0 N--CA 1.468 0.432 0 CA-C-N 116.26 -0.427 . . . . 0.0 111.644 -178.962 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 32.1 t70 -58.4 -29.1 65.81 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.51 -177.299 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 84.6 mtt180 -83.44 -13.06 55.62 Favored 'General case' 0 C--N 1.323 -0.565 0 CA-C-N 115.994 -0.548 . . . . 0.0 110.712 -178.322 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 83.37 9.98 82.81 Favored Glycine 0 N--CA 1.448 -0.564 0 N-CA-C 110.375 -1.09 . . . . 0.0 110.375 -169.823 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -83.59 50.12 1.73 Allowed 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 115.128 -0.536 . . . . 0.0 110.388 -177.753 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 68' ' ' MET . . . . . 0.523 ' HA ' ' CE ' ' A' ' 68' ' ' MET . 1.4 mmt -61.97 -34.77 76.76 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 115.776 -0.647 . . . . 0.0 111.359 -177.659 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 2.4 tm-20 -64.92 -49.23 71.23 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-N 116.129 -0.487 . . . . 0.0 109.982 179.773 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 77.7 mtt180 -74.37 -17.56 60.8 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 116.302 -0.408 . . . . 0.0 111.263 179.292 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -70.74 -40.79 72.52 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.868 0.366 . . . . 0.0 110.151 174.916 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 72' ' ' ASN . . . . . . . . . . . . . 40.1 t30 -62.67 -39.57 94.35 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 115.942 -0.572 . . . . 0.0 109.616 174.744 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 44.6 mttp -60.73 -41.38 95.19 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 115.682 -0.69 . . . . 0.0 110.491 173.916 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -59.75 -50.24 74.59 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.619 -0.264 . . . . 0.0 110.923 179.095 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 41.5 ttt180 -58.51 -48.32 81.19 Favored 'General case' 0 C--N 1.329 -0.322 0 O-C-N 123.389 0.431 . . . . 0.0 111.193 179.345 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 54.9 mtm180 -70.11 -37.31 75.31 Favored 'General case' 0 C--N 1.328 -0.351 0 N-CA-C 112.226 0.454 . . . . 0.0 112.226 -176.014 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 77' ' ' ARG . . . . . 0.438 ' O ' HG23 ' A' ' 81' ' ' VAL . 83.2 mtm180 -64.21 -43.24 95.63 Favored 'General case' 0 C--N 1.328 -0.328 0 C-N-CA 120.886 -0.326 . . . . 0.0 110.173 177.506 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 78' ' ' CYS . . . . . . . . . . . . . 73.6 m -63.57 -40.29 96.58 Favored 'General case' 0 C--N 1.331 -0.208 0 N-CA-C 109.676 -0.49 . . . . 0.0 109.676 175.486 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . -58.14 -37.02 84.8 Favored Glycine 0 N--CA 1.45 -0.405 0 CA-C-N 115.915 -0.584 . . . . 0.0 112.594 176.994 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 22.1 tt0 -71.58 -35.87 70.7 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.71 0.255 . . . . 0.0 110.38 178.444 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 81' ' ' VAL . . . . . 0.438 HG23 ' O ' ' A' ' 77' ' ' ARG . 66.9 t -62.4 -45.07 99.64 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.233 0 N-CA-C 109.707 -0.479 . . . . 0.0 109.707 173.669 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 82' ' ' PHE . . . . . 0.576 ' O ' HG13 ' A' ' 86' ' ' ILE . 29.4 m-85 -59.88 -43.16 94.89 Favored 'General case' 0 C--O 1.227 -0.097 0 CA-C-N 115.926 -0.579 . . . . 0.0 110.192 174.229 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 83' ' ' ARG . . . . . 0.499 ' O ' HG23 ' A' ' 87' ' ' VAL . 36.7 ttp180 -59.13 -43.65 92.0 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 115.994 -0.548 . . . . 0.0 110.523 -179.989 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 84' ' ' TYR . . . . . . . . . . . . . 18.5 t80 -63.85 -34.26 77.53 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-O 121.052 0.453 . . . . 0.0 109.946 179.016 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 85' ' ' ALA . . . . . 0.491 ' HA ' ' OG1' ' A' ' 88' ' ' THR . . . -71.09 -28.49 64.37 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.666 176.826 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 86' ' ' ILE . . . . . 0.576 HG13 ' O ' ' A' ' 82' ' ' PHE . 69.3 mt -72.09 -39.32 65.49 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.585 0 CA-C-O 121.144 0.497 . . . . 0.0 109.785 174.831 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 87' ' ' VAL . . . . . 0.499 HG23 ' O ' ' A' ' 83' ' ' ARG . 68.1 t -67.62 -34.54 68.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 115.637 -0.71 . . . . 0.0 110.851 177.797 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 88' ' ' THR . . . . . 0.491 ' OG1' ' HA ' ' A' ' 85' ' ' ALA . 14.5 p -79.76 -8.68 59.4 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.947 0.403 . . . . 0.0 111.194 177.928 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . 83.86 17.31 65.82 Favored Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.873 -0.679 . . . . 0.0 112.78 176.586 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 90' ' ' ARG . . . . . 0.465 ' HD3' ' OD1' ' A' ' 5' ' ' ASN . 66.0 mtt180 -91.7 -64.45 1.12 Allowed 'General case' 0 C--N 1.326 -0.424 0 CA-C-O 121.084 0.468 . . . . 0.0 110.799 179.927 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . -81.94 118.15 22.73 Favored 'General case' 0 C--N 1.321 -0.67 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.274 -177.335 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 85.5 mttt -100.91 -14.19 18.02 Favored 'General case' 0 C--N 1.32 -0.702 0 CA-C-O 121.513 0.673 . . . . 0.0 110.02 -178.053 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 93' ' ' TYR . . . . . . . . . . . . . 71.4 t80 -147.2 130.25 16.35 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-N 114.945 -1.025 . . . . 0.0 109.323 174.35 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 94' ' ' ASN . . . . . . . . . . . . . 24.7 p-10 -111.96 134.8 21.31 Favored Pre-proline 0 C--N 1.32 -0.715 0 N-CA-C 109.43 -0.582 . . . . 0.0 109.43 175.447 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 95' ' ' PRO . . . . . 0.436 ' O ' ' HB2' ' A' ' 99' ' ' LEU . 72.9 Cg_endo -76.08 29.36 0.39 Allowed 'Trans proline' 0 CA--C 1.528 0.186 0 C-N-CA 122.847 2.365 . . . . 0.0 113.119 -175.29 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 96' ' ' ALA . . . . . 0.528 ' HB3' ' HD3' ' A' ' 97' ' ' PRO . . . -68.01 -48.51 38.95 Favored Pre-proline 0 CA--C 1.541 0.607 0 N-CA-C 112.057 0.391 . . . . 0.0 112.057 -179.145 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 97' ' ' PRO . . . . . 0.528 ' HD3' ' HB3' ' A' ' 96' ' ' ALA . 30.1 Cg_exo -63.28 -42.74 21.04 Favored 'Trans proline' 0 C--N 1.355 0.919 0 C-N-CA 121.962 1.774 . . . . 0.0 112.138 177.072 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 36.7 t70 -66.7 -34.09 77.09 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.508 -179.897 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 99' ' ' LEU . . . . . 0.436 ' HB2' ' O ' ' A' ' 95' ' ' PRO . 2.9 tm? -55.85 -40.47 72.91 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-N 115.818 -0.628 . . . . 0.0 110.05 176.382 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 100' ' ' ALA . . . . . . . . . . . . . . . -66.27 -46.55 76.65 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.868 179.91 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 24.4 t70 -64.14 -40.21 95.67 Favored 'General case' 0 C--O 1.234 0.274 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.973 179.991 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 102' ' ' ALA . . . . . 0.585 ' O ' ' HB2' ' A' ' 106' ' ' TYR . . . -63.44 -44.54 94.25 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-N 115.774 -0.648 . . . . 0.0 110.378 177.383 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 103' ' ' MET . . . . . . . . . . . . . 41.0 ttm -56.72 -46.46 81.27 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.057 -0.519 . . . . 0.0 111.165 178.427 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 104' ' ' LYS . . . . . . . . . . . . . 74.5 mmtt -59.63 -48.08 83.08 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 115.871 -0.604 . . . . 0.0 111.377 -178.252 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 105' ' ' GLY . . . . . . . . . . . . . . . -87.29 7.95 78.75 Favored Glycine 0 N--CA 1.45 -0.42 0 C-N-CA 120.836 -0.697 . . . . 0.0 112.812 -177.428 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 106' ' ' TYR . . . . . 0.585 ' HB2' ' O ' ' A' ' 102' ' ' ALA . 3.0 t80 -91.07 -27.87 18.31 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-O 121.04 0.448 . . . . 0.0 110.521 -177.244 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 107' ' ' ARG . . . . . . . . . . . . . 90.4 mtt180 -95.37 10.69 35.38 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-N 116.033 -0.53 . . . . 0.0 111.05 -176.851 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 108' ' ' LYS . . . . . . . . . . . . . 62.6 tttm 58.05 84.54 0.1 Allowed 'General case' 0 N--CA 1.465 0.28 0 CA-C-N 115.712 -0.676 . . . . 0.0 112.036 175.895 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 109' ' ' LYS . . . . . . . . . . . . . 64.1 mttm -141.1 110.31 6.24 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 115.822 -0.627 . . . . 0.0 109.887 175.115 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 110' ' ' ASN . . . . . . . . . . . . . 20.0 m120 -81.79 142.38 32.65 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.326 179.201 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 111' ' ' LEU . . . . . . . . . . . . . 63.0 tp -71.39 -65.12 0.79 Allowed 'General case' 0 C--N 1.323 -0.544 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.196 -175.98 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 112' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -94.51 153.74 17.75 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-O 120.913 0.387 . . . . 0.0 110.005 -178.306 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 113' ' ' HIS . . . . . . . . . . . . . 53.7 m80 -95.28 102.94 14.78 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-N 116.291 -0.413 . . . . 0.0 109.966 179.978 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 114' ' ' HIS . . . . . . . . . . . . . 25.5 m170 -63.43 -42.15 98.68 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-O 120.917 0.389 . . . . 0.0 110.338 179.504 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 115' ' ' HIS . . . . . . . . . . . . . 31.9 m-70 -91.45 101.76 14.43 Favored 'General case' 0 N--CA 1.449 -0.481 0 N-CA-C 108.938 -0.764 . . . . 0.0 108.938 169.169 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 116' ' ' HIS . . . . . . . . . . . . . 93.1 m-70 -72.32 112.28 8.25 Favored 'General case' 0 C--N 1.32 -0.676 0 CA-C-N 115.337 -0.847 . . . . 0.0 110.203 -175.9 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 117' ' ' HIS . . . . . . . . . . . . . 34.1 t-80 -79.94 139.2 37.16 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-N 115.861 -0.609 . . . . 0.0 109.633 -179.203 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 118' ' ' HIS . . . . . . . . . . . . . 4.4 p80 . . . . . 0 C--O 1.246 0.89 0 CA-C-O 118.451 -0.785 . . . . 0.0 109.758 -178.851 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 38.7 m . . . . . 0 N--CA 1.476 0.858 0 CA-C-O 120.628 0.251 . . . . 0.0 110.45 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 13.4 t -96.67 -149.04 0.31 Allowed 'General case' 0 C--N 1.323 -0.554 0 N-CA-C 108.834 -0.802 . . . . 0.0 108.834 175.665 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 3' ' ' ASN . . . . . . . . . . . . . 51.8 t-20 -69.52 90.98 0.56 Allowed 'General case' 0 C--N 1.327 -0.391 0 N-CA-C 109.524 -0.547 . . . . 0.0 109.524 174.611 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 4' ' ' ASN . . . . . . . . . . . . . 15.0 p30 -93.02 19.88 7.35 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-N 115.774 -0.648 . . . . 0.0 110.818 -179.99 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 5' ' ' ASN . . . . . 0.47 HD22 ' N ' ' A' ' 5' ' ' ASN . 0.9 OUTLIER -85.67 -2.54 58.29 Favored 'General case' 0 C--N 1.328 -0.355 0 N-CA-C 109.209 -0.664 . . . . 0.0 109.209 174.464 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 19.9 m -69.03 143.41 54.32 Favored 'General case' 0 N--CA 1.449 -0.484 0 CA-C-N 115.192 -0.913 . . . . 0.0 109.723 174.244 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 7' ' ' PHE . . . . . . . . . . . . . 35.4 t80 -58.68 -42.24 88.07 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 116.457 -0.338 . . . . 0.0 111.58 -174.907 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 23.0 t -62.03 -31.98 72.44 Favored 'General case' 0 C--O 1.234 0.259 0 CA-C-O 120.85 0.357 . . . . 0.0 111.338 -178.601 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -70.87 -47.06 61.28 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.995 0.426 . . . . 0.0 110.76 -178.647 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 81.0 mt -70.38 -33.79 55.47 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.437 0 CA-C-N 116.079 -0.51 . . . . 0.0 110.374 178.627 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 1.2 t80 -56.61 -40.52 75.5 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.442 173.2 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 18.2 tptm -66.26 -42.01 89.09 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-O 120.793 0.33 . . . . 0.0 110.54 -178.996 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 9.9 tp10 -63.41 -46.54 85.91 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 121.233 0.539 . . . . 0.0 109.74 176.623 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 14' ' ' TRP . . . . . . . . . . . . . 60.3 t90 -57.67 -50.54 72.84 Favored 'General case' 0 C--O 1.237 0.409 0 CA-C-N 115.308 -0.86 . . . . 0.0 110.665 177.32 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 15' ' ' TYR . . . . . 0.492 ' CE1' ' HB2' ' A' ' 31' ' ' ALA . 34.8 t80 -58.57 -47.6 83.73 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 115.97 -0.559 . . . . 0.0 111.276 -179.397 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 42.0 tt0 -58.93 -38.19 78.42 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.732 0.301 . . . . 0.0 111.497 -175.821 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 17' ' ' HIS . . . . . . . . . . . . . 12.3 m170 -73.81 -46.96 42.05 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 116.601 -0.272 . . . . 0.0 110.856 -178.634 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 33.1 mmtm -68.39 -24.51 64.78 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-O 120.874 0.369 . . . . 0.0 110.951 178.793 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 64.2 tttm -63.75 -23.61 67.43 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 115.916 -0.584 . . . . 0.0 110.997 179.857 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 45.5 mm-40 -89.47 -6.29 56.59 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-O 121.07 0.462 . . . . 0.0 110.099 -179.688 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 48.9 t -104.04 -45.27 9.54 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 CA-C-N 115.84 -0.618 . . . . 0.0 110.448 -179.089 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 22' ' ' TRP . . . . . . . . . . . . . 26.3 m0 -80.86 179.47 7.82 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-N 115.79 -0.641 . . . . 0.0 110.764 -179.579 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 6.9 m -81.83 148.79 28.65 Favored 'General case' 0 C--N 1.323 -0.566 0 CA-C-N 115.849 -0.614 . . . . 0.0 109.364 175.052 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 11.3 p -56.27 -40.81 68.04 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.396 0 N-CA-C 111.64 0.237 . . . . 0.0 111.64 -178.112 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -69.19 -47.82 50.32 Favored Glycine 0 N--CA 1.449 -0.47 0 C-N-CA 120.655 -0.783 . . . . 0.0 111.773 179.044 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 26' ' ' TYR . . . . . . . . . . . . . 65.1 t80 -56.87 -43.71 81.51 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.851 0.358 . . . . 0.0 110.383 177.528 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -66.57 -46.58 75.53 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 115.85 -0.614 . . . . 0.0 111.371 -179.433 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 32.8 m -63.99 -39.45 94.15 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-O 120.883 0.373 . . . . 0.0 110.887 -179.606 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 39.0 tt0 -65.03 -47.9 75.78 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-O 121.203 0.525 . . . . 0.0 110.358 178.483 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 8.1 tt -62.89 -45.34 93.01 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 115.476 -0.784 . . . . 0.0 110.36 -179.491 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 31' ' ' ALA . . . . . 0.492 ' HB2' ' CE1' ' A' ' 15' ' ' TYR . . . -63.37 -34.47 77.8 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.021 -0.536 . . . . 0.0 111.626 -178.495 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 32' ' ' LYS . . . . . 0.419 ' HA ' ' HD2' ' A' ' 32' ' ' LYS . 46.0 tptt -69.9 -39.8 76.02 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.814 0.34 . . . . 0.0 110.52 179.132 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 33' ' ' MET . . . . . . . . . . . . . 12.5 tmm? -62.37 -48.87 77.88 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.005 -0.543 . . . . 0.0 110.065 176.76 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 34' ' ' PHE . . . . . 0.447 ' CG ' HD12 ' A' ' 38' ' ' ILE . 3.1 t80 -62.63 -38.78 91.58 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 115.806 -0.634 . . . . 0.0 109.985 179.117 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 35' ' ' ASP . . . . . 0.574 ' O ' ' HD3' ' A' ' 40' ' ' PRO . 14.9 t70 -62.56 -66.39 0.55 Allowed 'General case' 0 C--N 1.323 -0.565 0 CA-C-N 115.291 -0.868 . . . . 0.0 111.691 -178.851 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 26.7 t70 -66.69 -30.08 70.24 Favored 'General case' 0 C--O 1.237 0.442 0 CA-C-N 115.803 -0.635 . . . . 0.0 112.497 -169.316 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 37' ' ' ASP . . . . . 0.594 ' HA ' ' NH1' ' A' ' 61' ' ' ARG . 50.0 m-20 -98.38 -43.79 6.79 Favored 'General case' 0 C--N 1.322 -0.595 0 N-CA-C 112.789 0.663 . . . . 0.0 112.789 -174.079 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 38' ' ' ILE . . . . . 0.471 HG12 HG13 ' A' ' 58' ' ' VAL . 20.9 mt -91.68 -39.86 11.91 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.616 0 N-CA-C 112.208 0.447 . . . . 0.0 112.208 -171.628 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 39' ' ' LEU . . . . . 0.411 ' HB2' ' O ' ' A' ' 35' ' ' ASP . 43.6 mt -65.31 -41.06 48.93 Favored Pre-proline 0 CA--C 1.54 0.594 0 N-CA-C 113.612 0.967 . . . . 0.0 113.612 -173.559 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 40' ' ' PRO . . . . . 0.574 ' HD3' ' O ' ' A' ' 35' ' ' ASP . 23.4 Cg_exo -67.52 -9.9 26.91 Favored 'Trans proline' 0 C--N 1.35 0.633 0 C-N-CA 121.725 1.617 . . . . 0.0 112.745 176.693 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 41' ' ' ILE . . . . . 0.591 HG22 HG23 ' A' ' 42' ' ' ILE . 19.6 mm -96.93 -54.13 7.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.686 -0.233 . . . . 0.0 111.066 -178.935 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 42' ' ' ILE . . . . . 0.591 HG23 HG22 ' A' ' 41' ' ' ILE . 15.2 pt -131.16 9.56 1.88 Allowed 'Isoleucine or valine' 0 C--N 1.332 -0.195 0 N-CA-C 112.343 0.497 . . . . 0.0 112.343 -176.246 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -61.44 -36.87 93.18 Favored Glycine 0 N--CA 1.453 -0.181 0 C-N-CA 120.769 -0.729 . . . . 0.0 112.536 -175.226 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -94.04 12.61 68.9 Favored Glycine 0 N--CA 1.446 -0.662 0 C-N-CA 120.753 -0.737 . . . . 0.0 112.513 -178.874 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 45' ' ' LEU . . . . . 0.444 HD12 ' HA ' ' A' ' 42' ' ' ILE . 93.1 mt -96.23 151.53 19.41 Favored 'General case' 0 C--N 1.326 -0.431 0 N-CA-C 110.105 -0.331 . . . . 0.0 110.105 178.231 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 48.8 mt-10 -74.38 132.96 42.46 Favored 'General case' 0 C--N 1.325 -0.487 0 N-CA-C 108.907 -0.775 . . . . 0.0 108.907 178.336 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 47' ' ' ILE . . . . . 0.402 HD13 ' CB ' ' A' ' 85' ' ' ALA . 18.6 tt -62.87 -17.51 19.32 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.647 0 CA-C-O 121.043 0.449 . . . . 0.0 111.494 -174.748 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 79.1 mt-30 -86.32 -20.47 28.3 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.836 179.249 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 21.8 t70 -140.05 86.47 2.09 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-O 121.284 0.564 . . . . 0.0 111.063 -178.981 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 50' ' ' ILE . . . . . 0.435 ' HB ' ' HG2' ' A' ' 95' ' ' PRO . 75.9 mt -115.05 136.68 50.99 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.818 0 CA-C-N 115.353 -0.84 . . . . 0.0 109.951 175.527 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 1.5 tm-20 -66.19 124.72 88.68 Favored Pre-proline 0 C--N 1.325 -0.487 0 CA-C-N 115.973 -0.558 . . . . 0.0 109.911 -179.644 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 52' ' ' PRO . . . . . . . . . . . . . 52.4 Cg_exo -53.34 -39.06 82.65 Favored 'Trans proline' 0 C--O 1.232 0.198 0 C-N-CA 123.021 2.481 . . . . 0.0 112.556 179.985 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 53' ' ' MET . . . . . . . . . . . . . 90.3 mtp -74.97 -20.6 59.6 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.49 -0.323 . . . . 0.0 111.125 -177.615 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 59.1 mt-30 -83.22 -43.87 15.63 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.518 -0.31 . . . . 0.0 110.884 177.657 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 55' ' ' LEU . . . . . 0.43 ' O ' ' HB ' ' A' ' 58' ' ' VAL . 54.0 tp -61.74 -40.15 94.1 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-O 121.646 0.736 . . . . 0.0 109.412 176.01 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 56' ' ' LEU . . . . . 0.588 HD13 ' HG3' ' A' ' 60' ' ' ARG . 2.4 tm? -68.04 -31.08 70.49 Favored 'General case' 0 C--N 1.323 -0.566 0 CA-C-N 115.357 -0.838 . . . . 0.0 109.963 176.337 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 57' ' ' GLU . . . . . 0.4 ' HA ' ' HB2' ' A' ' 60' ' ' ARG . 11.1 tt0 -73.32 -20.92 60.68 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-O 120.55 0.214 . . . . 0.0 110.684 178.146 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 58' ' ' VAL . . . . . 0.523 ' O ' ' HB3' ' A' ' 61' ' ' ARG . 77.1 t -63.7 -55.17 24.14 Favored 'Isoleucine or valine' 0 C--O 1.238 0.474 0 N-CA-C 108.779 -0.823 . . . . 0.0 108.779 168.659 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 59' ' ' ILE . . . . . . . . . . . . . 1.7 mp -56.37 -39.71 62.43 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.633 0 CA-C-N 114.791 -1.095 . . . . 0.0 110.483 176.295 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 60' ' ' ARG . . . . . 0.588 ' HG3' HD13 ' A' ' 56' ' ' LEU . 26.5 mtp180 -76.42 -20.77 56.76 Favored 'General case' 0 C--N 1.332 -0.187 0 N-CA-C 111.943 0.349 . . . . 0.0 111.943 -179.652 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 61' ' ' ARG . . . . . 0.594 ' NH1' ' HA ' ' A' ' 37' ' ' ASP . 14.8 tpt180 -57.69 -40.25 79.03 Favored 'General case' 0 C--N 1.328 -0.343 0 N-CA-C 108.425 -0.954 . . . . 0.0 108.425 171.195 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 62' ' ' PHE . . . . . . . . . . . . . 93.0 m-85 -79.58 -38.28 34.4 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 115.128 -0.942 . . . . 0.0 111.351 174.814 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 63' ' ' GLU . . . . . 0.574 ' HB3' ' HA ' ' A' ' 60' ' ' ARG . 40.4 tt0 -59.02 -56.86 16.77 Favored 'General case' 0 N--CA 1.469 0.496 0 N-CA-C 112.004 0.372 . . . . 0.0 112.004 -176.917 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 3.6 m-20 -59.57 -29.01 67.65 Favored 'General case' 0 N--CA 1.464 0.256 0 CA-C-O 120.973 0.416 . . . . 0.0 110.914 -178.49 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 40.0 ttm180 -73.46 -32.61 64.44 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-N 115.779 -0.646 . . . . 0.0 111.094 -179.944 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 101.89 17.74 19.97 Favored Glycine 0 N--CA 1.449 -0.461 0 C-N-CA 120.558 -0.829 . . . . 0.0 111.878 -176.583 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -104.56 83.16 2.0 Favored 'General case' 0 C--N 1.324 -0.508 0 N-CA-C 109.742 -0.466 . . . . 0.0 109.742 177.983 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 68' ' ' MET . . . . . . . . . . . . . 57.9 mmm -79.3 -37.03 38.71 Favored 'General case' 0 C--N 1.323 -0.554 0 CA-C-N 116.089 -0.505 . . . . 0.0 111.303 -171.108 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 69' ' ' GLU . . . . . 0.529 ' O ' ' HG3' ' A' ' 73' ' ' LYS . 51.2 mm-40 -61.93 -48.12 81.84 Favored 'General case' 0 C--N 1.326 -0.427 0 N-CA-C 110.072 -0.344 . . . . 0.0 110.072 176.253 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 63.9 mtt85 -62.09 -33.46 74.49 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.114 -0.494 . . . . 0.0 111.036 177.892 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -63.92 -38.42 91.01 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-O 120.932 0.396 . . . . 0.0 110.857 178.149 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 72' ' ' ASN . . . . . . . . . . . . . 66.5 t30 -78.08 -35.35 49.52 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 116.35 -0.386 . . . . 0.0 110.234 178.833 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 73' ' ' LYS . . . . . 0.529 ' HG3' ' O ' ' A' ' 69' ' ' GLU . 68.9 mttm -57.05 -47.64 80.47 Favored 'General case' 0 CA--C 1.522 -0.116 0 N-CA-C 109.627 -0.509 . . . . 0.0 109.627 173.813 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -58.55 -50.23 74.55 Favored 'General case' 0 N--CA 1.453 -0.286 0 CA-C-N 115.714 -0.676 . . . . 0.0 110.491 176.255 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 29.4 ttm180 -49.49 -60.8 2.52 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 115.361 -0.836 . . . . 0.0 112.143 -177.166 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 76' ' ' ARG . . . . . 0.434 HH11 ' HD3' ' A' ' 76' ' ' ARG . 17.2 mtm180 -78.03 -28.54 49.09 Favored 'General case' 0 C--N 1.327 -0.407 0 N-CA-C 111.983 0.364 . . . . 0.0 111.983 -172.178 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 77' ' ' ARG . . . . . 0.467 ' O ' HG23 ' A' ' 81' ' ' VAL . 46.8 mtt180 -79.12 -28.14 42.92 Favored 'General case' 0 C--N 1.328 -0.352 0 C-N-CA 120.41 -0.516 . . . . 0.0 111.525 -179.164 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 78' ' ' CYS . . . . . . . . . . . . . 96.1 m -64.87 -41.9 95.27 Favored 'General case' 0 C--N 1.33 -0.277 0 N-CA-C 108.756 -0.831 . . . . 0.0 108.756 169.543 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . -57.55 -35.09 71.35 Favored Glycine 0 N--CA 1.448 -0.509 0 CA-C-N 115.526 -0.761 . . . . 0.0 112.199 173.61 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 33.7 tt0 -66.81 -41.36 87.68 Favored 'General case' 0 C--N 1.331 -0.207 0 N-CA-C 110.193 -0.299 . . . . 0.0 110.193 177.277 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 81' ' ' VAL . . . . . 0.467 HG23 ' O ' ' A' ' 77' ' ' ARG . 59.1 t -62.7 -44.85 99.79 Favored 'Isoleucine or valine' 0 C--O 1.234 0.259 0 CA-C-O 120.776 0.322 . . . . 0.0 110.417 176.81 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 82' ' ' PHE . . . . . 0.502 ' O ' HG13 ' A' ' 86' ' ' ILE . 36.2 m-85 -58.41 -50.55 73.27 Favored 'General case' 0 C--N 1.333 -0.151 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.232 175.646 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 6.0 ttp180 -56.82 -39.57 74.44 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 115.489 -0.778 . . . . 0.0 111.286 178.646 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 84' ' ' TYR . . . . . . . . . . . . . 37.4 t80 -64.85 -52.56 55.98 Favored 'General case' 0 C--O 1.219 -0.532 0 CA-C-N 116.3 -0.409 . . . . 0.0 110.088 179.139 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 85' ' ' ALA . . . . . 0.606 ' HA ' ' HB ' ' A' ' 88' ' ' THR . . . -55.05 -28.95 56.16 Favored 'General case' 0 C--N 1.327 -0.408 0 N-CA-C 111.951 0.352 . . . . 0.0 111.951 178.293 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 86' ' ' ILE . . . . . 0.502 HG13 ' O ' ' A' ' 82' ' ' PHE . 82.6 mt -66.18 -50.79 66.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.722 -0.217 . . . . 0.0 110.691 176.635 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 87' ' ' VAL . . . . . . . . . . . . . 29.7 m -73.48 -24.37 20.19 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.218 0 CA-C-O 121.251 0.548 . . . . 0.0 110.497 177.747 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 88' ' ' THR . . . . . 0.606 ' HB ' ' HA ' ' A' ' 85' ' ' ALA . 25.6 m -65.99 -31.8 72.92 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 115.32 -0.854 . . . . 0.0 110.775 173.022 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . 95.25 21.48 24.84 Favored Glycine 0 N--CA 1.448 -0.534 0 C-N-CA 120.76 -0.733 . . . . 0.0 112.271 179.145 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 60.7 mtt85 -118.33 1.89 11.86 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-O 120.859 0.362 . . . . 0.0 110.952 179.592 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 91' ' ' ALA . . . . . 0.467 ' O ' ' HA ' ' A' ' 86' ' ' ILE . . . -142.3 135.98 29.28 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-N 116.387 -0.37 . . . . 0.0 110.343 176.103 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 86.8 tttt -100.16 -42.22 6.79 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-O 121.42 0.628 . . . . 0.0 109.76 178.326 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 93' ' ' TYR . . . . . . . . . . . . . 43.5 p90 -139.46 172.89 12.15 Favored 'General case' 0 C--N 1.323 -0.562 0 N-CA-C 108.797 -0.816 . . . . 0.0 108.797 174.031 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 94' ' ' ASN . . . . . 0.421 ' HB3' ' HB3' ' A' ' 82' ' ' PHE . 25.1 p30 -131.39 157.78 77.14 Favored Pre-proline 0 C--N 1.321 -0.673 0 CA-C-O 120.702 0.287 . . . . 0.0 110.979 -176.879 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 95' ' ' PRO . . . . . 0.435 ' HG2' ' HB ' ' A' ' 50' ' ' ILE . 3.3 Cg_exo -78.86 19.89 0.84 Allowed 'Trans proline' 0 CA--C 1.53 0.323 0 C-N-CA 123.028 2.485 . . . . 0.0 112.64 176.753 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 96' ' ' ALA . . . . . 0.556 ' N ' ' HD2' ' A' ' 97' ' ' PRO . . . -65.87 -45.59 64.77 Favored Pre-proline 0 CA--C 1.539 0.53 0 N-CA-C 111.75 0.278 . . . . 0.0 111.75 179.662 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 97' ' ' PRO . . . . . 0.556 ' HD2' ' N ' ' A' ' 96' ' ' ALA . 10.2 Cg_endo -55.69 -35.18 92.69 Favored 'Trans proline' 0 C--N 1.355 0.903 0 C-N-CA 122.144 1.896 . . . . 0.0 112.165 173.231 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 14.5 m-20 -77.85 -30.46 50.95 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.5 179.539 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 99' ' ' LEU . . . . . 0.646 HD11 ' HE3' ' A' ' 103' ' ' MET . 3.2 tm? -60.19 -50.51 73.39 Favored 'General case' 0 C--N 1.329 -0.295 0 N-CA-C 109.12 -0.696 . . . . 0.0 109.12 172.472 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 100' ' ' ALA . . . . . . . . . . . . . . . -62.04 -36.98 83.25 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 115.808 -0.633 . . . . 0.0 110.581 178.004 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 9.5 t70 -60.02 -55.75 30.15 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 115.754 -0.657 . . . . 0.0 110.876 177.894 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -64.26 -42.16 96.6 Favored 'General case' 0 C--N 1.323 -0.563 0 CA-C-N 115.686 -0.688 . . . . 0.0 110.929 -177.873 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 103' ' ' MET . . . . . 0.646 ' HE3' HD11 ' A' ' 99' ' ' LEU . 50.6 ttm -63.86 -31.0 72.03 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.018 -0.537 . . . . 0.0 110.979 179.893 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 104' ' ' LYS . . . . . . . . . . . . . 50.5 tttm -61.63 -38.21 86.81 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 116.289 -0.414 . . . . 0.0 110.528 177.429 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 105' ' ' GLY . . . . . . . . . . . . . . . -70.99 -37.27 64.48 Favored Glycine 0 N--CA 1.449 -0.458 0 C-N-CA 120.918 -0.658 . . . . 0.0 111.876 177.987 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 106' ' ' TYR . . . . . . . . . . . . . 76.6 m-85 -84.72 2.51 41.61 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.567 0.222 . . . . 0.0 111.472 -179.37 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 107' ' ' ARG . . . . . . . . . . . . . 10.9 ttp180 -82.06 -21.92 36.63 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-O 121.337 0.589 . . . . 0.0 109.493 177.795 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 108' ' ' LYS . . . . . . . . . . . . . 81.5 tttt -93.46 68.57 4.13 Favored 'General case' 0 C--N 1.325 -0.494 0 N-CA-C 108.389 -0.967 . . . . 0.0 108.389 178.294 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 109' ' ' LYS . . . . . . . . . . . . . 61.3 mttm -73.34 -17.75 61.26 Favored 'General case' 0 C--N 1.321 -0.649 0 CA-C-N 114.273 -1.33 . . . . 0.0 111.982 -174.293 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 110' ' ' ASN . . . . . . . . . . . . . 95.9 m-20 -74.83 -13.71 60.6 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-O 120.874 0.369 . . . . 0.0 110.541 177.231 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 111' ' ' LEU . . . . . . . . . . . . . 52.4 tp -89.49 122.73 32.95 Favored 'General case' 0 C--N 1.323 -0.545 0 N-CA-C 108.944 -0.761 . . . . 0.0 108.944 173.146 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 112' ' ' GLU . . . . . . . . . . . . . 35.2 mt-10 -72.08 103.68 3.35 Favored 'General case' 0 C--N 1.323 -0.561 0 CA-C-O 121.013 0.435 . . . . 0.0 110.653 -176.888 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 113' ' ' HIS . . . . . . . . . . . . . 81.1 m-70 -84.58 133.06 34.44 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 115.971 -0.559 . . . . 0.0 111.138 -176.754 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 114' ' ' HIS . . . . . . . . . . . . . 73.5 t60 -136.28 111.1 8.76 Favored 'General case' 0 C--N 1.324 -0.542 0 CA-C-N 115.663 -0.699 . . . . 0.0 110.045 177.009 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 115' ' ' HIS . . . . . 0.446 ' HB2' ' HB2' ' A' ' 118' ' ' HIS . 20.8 m170 -74.68 154.36 38.49 Favored 'General case' 0 C--N 1.324 -0.507 0 N-CA-C 109.484 -0.561 . . . . 0.0 109.484 177.131 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 116' ' ' HIS . . . . . . . . . . . . . 15.9 t-80 -80.93 -9.75 59.8 Favored 'General case' 0 C--N 1.322 -0.597 0 CA-C-O 121.251 0.548 . . . . 0.0 109.744 177.012 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 117' ' ' HIS . . . . . . . . . . . . . 62.1 m-70 -105.23 -1.95 24.7 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-N 115.699 -0.682 . . . . 0.0 110.423 175.644 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 118' ' ' HIS . . . . . 0.446 ' HB2' ' HB2' ' A' ' 115' ' ' HIS . 26.9 m-70 . . . . . 0 C--O 1.244 0.772 0 CA-C-O 118.376 -0.821 . . . . 0.0 110.192 179.376 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 29.2 t . . . . . 0 N--CA 1.475 0.809 0 N-CA-C 109.942 -0.392 . . . . 0.0 109.942 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 19.1 m -72.05 -56.46 5.59 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-O 120.989 0.423 . . . . 0.0 109.896 177.498 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 3' ' ' ASN . . . . . . . . . . . . . 91.1 m-20 -90.93 84.01 5.73 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 121.171 0.51 . . . . 0.0 109.756 174.924 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 4' ' ' ASN . . . . . . . . . . . . . 36.8 t30 -77.61 123.25 26.38 Favored 'General case' 0 C--N 1.323 -0.546 0 CA-C-N 115.83 -0.623 . . . . 0.0 110.423 -179.379 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 5' ' ' ASN . . . . . 0.413 HD22 ' N ' ' A' ' 5' ' ' ASN . 0.9 OUTLIER -93.59 7.18 45.69 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 115.961 -0.563 . . . . 0.0 111.224 -176.352 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . 0.547 ' HA ' ' HA ' ' A' ' 46' ' ' GLU . 49.8 m -65.71 145.23 56.27 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-O 120.7 0.286 . . . . 0.0 110.242 176.555 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 7' ' ' PHE . . . . . . . . . . . . . 45.2 t80 -56.05 -42.21 76.26 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 115.915 -0.584 . . . . 0.0 111.0 -176.457 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 45.7 t -53.61 -38.86 64.42 Favored 'General case' 0 C--O 1.234 0.248 0 CA-C-N 116.38 -0.373 . . . . 0.0 111.619 179.11 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -70.57 -50.18 40.02 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.007 -176.722 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 10' ' ' ILE . . . . . 0.414 HD13 ' HB2' ' A' ' 85' ' ' ALA . 80.5 mt -69.9 -38.47 75.69 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 CA-C-N 115.936 -0.574 . . . . 0.0 110.651 -178.558 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 43.6 t80 -56.97 -41.73 78.88 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.812 175.457 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 66.4 tttm -66.22 -43.33 87.0 Favored 'General case' 0 C--N 1.329 -0.294 0 C-N-CA 120.711 -0.396 . . . . 0.0 110.673 -179.56 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 37.1 tt0 -63.32 -44.93 93.53 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.865 0.364 . . . . 0.0 110.253 178.478 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 14' ' ' TRP . . . . . . . . . . . . . 66.0 t90 -60.03 -50.29 74.32 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 115.87 -0.605 . . . . 0.0 110.525 177.028 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 15' ' ' TYR . . . . . 0.457 ' CE1' ' HB2' ' A' ' 31' ' ' ALA . 17.8 t80 -60.18 -48.05 83.37 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.179 178.331 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 28.9 tt0 -63.5 -35.91 82.04 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-O 121.06 0.457 . . . . 0.0 110.469 -176.602 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 17' ' ' HIS . . . . . . . . . . . . . 63.7 t60 -71.81 -44.26 64.23 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 115.827 -0.624 . . . . 0.0 110.423 178.082 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 24.7 mmtm -73.57 -19.18 60.96 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.342 -0.39 . . . . 0.0 111.51 179.5 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 63.8 tttm -65.77 -19.16 65.79 Favored 'General case' 0 C--N 1.324 -0.543 0 CA-C-O 121.267 0.556 . . . . 0.0 109.977 177.699 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 71.6 mt-30 -88.03 -8.77 55.11 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 115.744 -0.662 . . . . 0.0 110.326 177.994 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 57.4 t -102.45 -47.95 10.95 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 CA-C-N 116.026 -0.534 . . . . 0.0 111.171 -176.12 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 22' ' ' TRP . . . . . . . . . . . . . 10.5 m0 -86.23 172.59 10.39 Favored 'General case' 0 C--N 1.322 -0.614 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.934 -177.562 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 43.6 m -78.37 152.87 32.06 Favored 'General case' 0 C--N 1.324 -0.507 0 N-CA-C 109.232 -0.655 . . . . 0.0 109.232 171.957 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 8.4 p -61.44 -31.09 49.51 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-O 120.591 0.234 . . . . 0.0 111.472 -174.237 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -64.59 -57.25 13.22 Favored Glycine 0 C--N 1.331 0.261 0 C-N-CA 120.859 -0.686 . . . . 0.0 112.075 178.689 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 26' ' ' TYR . . . . . . . . . . . . . 64.5 t80 -57.69 -41.77 82.31 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-O 120.778 0.323 . . . . 0.0 110.564 176.947 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -61.16 -45.04 96.28 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.01 -0.541 . . . . 0.0 111.359 -179.199 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 58.6 m -62.97 -45.72 91.11 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-O 120.897 0.38 . . . . 0.0 110.73 179.216 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 15.2 tp10 -58.64 -52.57 65.12 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 115.729 -0.668 . . . . 0.0 110.891 -179.577 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 10.4 tt -63.9 -43.5 95.79 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 115.737 -0.665 . . . . 0.0 110.47 -178.274 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 31' ' ' ALA . . . . . 0.457 ' HB2' ' CE1' ' A' ' 15' ' ' TYR . . . -64.62 -42.84 95.23 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 116.074 -0.512 . . . . 0.0 111.794 -177.104 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 32' ' ' LYS . . . . . 0.475 ' O ' ' HB2' ' A' ' 36' ' ' ASP . 56.4 tttp -65.02 -53.2 49.77 Favored 'General case' 0 C--O 1.22 -0.477 0 C-N-CA 120.191 -0.604 . . . . 0.0 111.19 -176.423 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 33' ' ' MET . . . . . 0.49 ' SD ' ' HD2' ' A' ' 70' ' ' ARG . 26.2 ptt? -58.36 -39.46 79.62 Favored 'General case' 0 C--O 1.236 0.345 0 C-N-CA 120.694 -0.402 . . . . 0.0 110.814 -177.279 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 34' ' ' PHE . . . . . 0.443 ' CD2' HD12 ' A' ' 38' ' ' ILE . 0.2 OUTLIER -66.38 -56.26 11.9 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 115.875 -0.602 . . . . 0.0 110.483 179.26 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 35' ' ' ASP . . . . . 0.95 ' HA ' HD23 ' A' ' 39' ' ' LEU . 14.2 t70 -62.05 -48.55 79.75 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-O 120.906 0.384 . . . . 0.0 111.616 -179.0 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 36' ' ' ASP . . . . . 0.475 ' HB2' ' O ' ' A' ' 32' ' ' LYS . 4.4 t70 -57.16 -43.55 82.64 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-N 115.7 -0.682 . . . . 0.0 111.865 -173.454 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -100.02 -44.33 6.05 Favored 'General case' 0 C--N 1.328 -0.353 0 N-CA-C 112.657 0.614 . . . . 0.0 112.657 -175.427 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 38' ' ' ILE . . . . . 0.584 HG12 HG13 ' A' ' 58' ' ' VAL . 34.2 mt -79.05 -33.0 15.59 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 N-CA-C 112.632 0.604 . . . . 0.0 112.632 -169.848 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 39' ' ' LEU . . . . . 0.95 HD23 ' HA ' ' A' ' 35' ' ' ASP . 2.5 mm? -59.68 -48.2 95.85 Favored Pre-proline 0 CA--C 1.536 0.435 0 N-CA-C 112.206 0.447 . . . . 0.0 112.206 -178.399 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 31.6 Cg_exo -62.04 -16.42 49.98 Favored 'Trans proline' 0 C--N 1.351 0.663 0 C-N-CA 121.87 1.713 . . . . 0.0 113.133 175.428 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 41' ' ' ILE . . . . . 0.576 HG22 HG23 ' A' ' 42' ' ' ILE . 66.4 mt -91.95 -58.48 3.57 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.211 0 N-CA-C 111.644 0.238 . . . . 0.0 111.644 -177.561 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 42' ' ' ILE . . . . . 0.576 HG23 HG22 ' A' ' 41' ' ' ILE . 12.2 pt -128.6 3.69 2.95 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.287 0 N-CA-C 111.956 0.354 . . . . 0.0 111.956 -177.835 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 43' ' ' GLY . . . . . 0.562 ' HA3' HD13 ' A' ' 39' ' ' LEU . . . -60.7 -35.56 89.94 Favored Glycine 0 N--CA 1.452 -0.265 0 C-N-CA 120.712 -0.756 . . . . 0.0 112.56 -176.676 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -89.92 5.23 83.4 Favored Glycine 0 N--CA 1.446 -0.676 0 C-N-CA 120.887 -0.673 . . . . 0.0 112.57 179.776 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 96.0 mt -95.63 148.35 22.63 Favored 'General case' 0 C--N 1.328 -0.33 0 N-CA-C 110.039 -0.356 . . . . 0.0 110.039 -179.67 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 46' ' ' GLU . . . . . 0.547 ' HA ' ' HA ' ' A' ' 6' ' ' SER . 36.2 mt-10 -76.79 130.25 37.41 Favored 'General case' 0 C--N 1.322 -0.62 0 N-CA-C 109.062 -0.718 . . . . 0.0 109.062 176.786 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 47' ' ' ILE . . . . . 0.565 HD11 ' HA ' ' A' ' 82' ' ' PHE . 15.4 tt -59.56 -20.67 19.18 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 CA-C-N 116.015 -0.539 . . . . 0.0 111.978 -170.52 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 84.9 mt-30 -78.26 -28.76 47.76 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 116.495 -0.32 . . . . 0.0 111.135 -179.905 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 25.2 m-20 -109.31 10.19 25.63 Favored 'General case' 0 C--N 1.329 -0.286 0 N-CA-C 112.132 0.419 . . . . 0.0 112.132 -171.507 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 50' ' ' ILE . . . . . . . . . . . . . 63.9 mt -67.41 125.56 25.19 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.562 0 CA-C-O 120.827 0.346 . . . . 0.0 110.179 177.432 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 51' ' ' GLU . . . . . 0.563 ' HG3' ' HB2' ' A' ' 54' ' ' GLN . 4.6 pt-20 -87.31 155.5 54.43 Favored Pre-proline 0 C--N 1.325 -0.494 0 CA-C-N 115.91 -0.586 . . . . 0.0 110.913 -177.236 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 52' ' ' PRO . . . . . 0.406 ' HD2' ' HB2' ' A' ' 51' ' ' GLU . 12.5 Cg_endo -56.1 -42.57 65.13 Favored 'Trans proline' 0 C--N 1.346 0.402 0 C-N-CA 123.205 2.603 . . . . 0.0 113.223 -178.321 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 53' ' ' MET . . . . . . . . . . . . . 63.9 mtt -78.95 -15.33 58.44 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.585 0.231 . . . . 0.0 111.568 -175.736 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 54' ' ' GLN . . . . . 0.563 ' HB2' ' HG3' ' A' ' 51' ' ' GLU . 41.8 tp60 -84.7 -37.73 20.6 Favored 'General case' 0 C--N 1.328 -0.368 0 N-CA-C 109.399 -0.593 . . . . 0.0 109.399 176.907 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 55' ' ' LEU . . . . . 0.425 ' O ' ' HB ' ' A' ' 58' ' ' VAL . 33.0 tp -68.81 -33.61 74.14 Favored 'General case' 0 C--N 1.326 -0.435 0 N-CA-C 108.691 -0.855 . . . . 0.0 108.691 172.597 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 47.0 tp -69.13 -26.91 65.13 Favored 'General case' 0 C--O 1.221 -0.437 0 CA-C-N 115.505 -0.771 . . . . 0.0 110.054 174.239 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 8.5 tt0 -65.07 -36.98 86.05 Favored 'General case' 0 C--N 1.329 -0.292 0 N-CA-C 109.429 -0.582 . . . . 0.0 109.429 176.788 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 58' ' ' VAL . . . . . 0.584 HG13 HG12 ' A' ' 38' ' ' ILE . 38.5 t -59.46 -50.8 78.57 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 CA-C-N 115.579 -0.737 . . . . 0.0 110.699 173.08 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 59' ' ' ILE . . . . . 0.404 HG21 ' CE ' ' A' ' 103' ' ' MET . 31.8 mm -68.74 -37.95 78.2 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.531 0 CA-C-N 116.424 -0.353 . . . . 0.0 110.354 -179.281 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 40.6 ttp85 -57.39 -36.42 71.27 Favored 'General case' 0 C--N 1.332 -0.171 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.172 174.081 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 61' ' ' ARG . . . . . 0.556 ' HB3' ' O ' ' A' ' 58' ' ' VAL . 24.8 tpt180 -59.27 -47.2 86.25 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 115.788 -0.642 . . . . 0.0 110.423 175.95 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 62' ' ' PHE . . . . . 0.477 ' O ' ' HB2' ' A' ' 65' ' ' ARG . 61.7 m-85 -70.18 -32.65 70.67 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.339 -0.391 . . . . 0.0 111.401 179.279 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 34.3 tt0 -64.98 -46.43 81.48 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 121.062 0.458 . . . . 0.0 110.137 175.201 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 35.4 t70 -65.68 -25.29 67.27 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 115.459 -0.791 . . . . 0.0 110.574 179.078 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 65' ' ' ARG . . . . . 0.477 ' HB2' ' O ' ' A' ' 62' ' ' PHE . 28.1 mtt-85 -64.75 -37.15 86.62 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 115.881 -0.6 . . . . 0.0 111.122 173.574 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 98.05 -1.54 59.38 Favored Glycine 0 N--CA 1.445 -0.702 0 N-CA-C 110.233 -1.147 . . . . 0.0 110.233 -169.194 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -90.1 72.47 7.31 Favored 'General case' 0 N--CA 1.452 -0.346 0 CA-C-N 115.132 -0.534 . . . . 0.0 109.64 178.236 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 68' ' ' MET . . . . . . . . . . . . . 69.1 mmm -69.82 -37.9 76.39 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-N 115.769 -0.65 . . . . 0.0 111.026 -173.897 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 27.1 mt-10 -67.68 -38.89 84.32 Favored 'General case' 0 C--N 1.321 -0.636 0 CA-C-N 115.986 -0.552 . . . . 0.0 110.499 -179.406 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 70' ' ' ARG . . . . . 0.49 ' HD2' ' SD ' ' A' ' 33' ' ' MET . 72.7 mtm180 -78.87 -17.31 55.8 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.337 -0.392 . . . . 0.0 111.004 176.57 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -68.59 -44.91 73.34 Favored 'General case' 0 C--N 1.332 -0.195 0 CA-C-O 121.147 0.498 . . . . 0.0 110.104 174.673 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 72' ' ' ASN . . . . . . . . . . . . . 38.9 m-80 -65.16 -36.36 83.98 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 115.714 -0.675 . . . . 0.0 109.988 175.306 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 84.6 tttt -67.5 -40.11 85.19 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.01 -0.541 . . . . 0.0 110.669 178.34 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -54.44 -43.46 71.63 Favored 'General case' 0 CA--C 1.521 -0.138 0 CA-C-O 120.86 0.362 . . . . 0.0 110.347 176.213 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 75' ' ' ARG . . . . . 0.4 ' HG3' ' CD1' ' A' ' 99' ' ' LEU . 28.2 ttm180 -57.71 -51.99 67.28 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 115.654 -0.703 . . . . 0.0 110.952 179.377 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 34.9 ttm180 -64.04 -45.26 89.65 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 115.919 -0.582 . . . . 0.0 111.35 -176.906 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 77' ' ' ARG . . . . . 0.422 HH11 ' HD2' ' A' ' 77' ' ' ARG . 2.0 mmp_? -65.71 -42.25 91.32 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.502 -0.317 . . . . 0.0 111.046 -177.776 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 78' ' ' CYS . . . . . 0.502 ' O ' ' HD1' ' A' ' 82' ' ' PHE . 80.7 m -62.6 -45.43 92.91 Favored 'General case' 0 C--N 1.333 -0.127 0 C-N-CA 121.255 -0.178 . . . . 0.0 110.54 178.575 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . -57.95 -34.42 71.99 Favored Glycine 0 C--N 1.333 0.412 0 C-N-CA 120.84 -0.695 . . . . 0.0 111.979 177.508 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 31.0 tt0 -67.11 -39.75 86.74 Favored 'General case' 0 C--N 1.329 -0.299 0 N-CA-C 110.115 -0.328 . . . . 0.0 110.115 177.237 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 89.3 t -63.11 -44.76 99.65 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.196 0 CA-C-O 120.839 0.352 . . . . 0.0 110.483 177.02 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 82' ' ' PHE . . . . . 0.565 ' HA ' HD11 ' A' ' 47' ' ' ILE . 47.9 m-85 -58.9 -47.16 85.95 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.649 177.181 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 83' ' ' ARG . . . . . 0.438 ' HA ' HD12 ' A' ' 86' ' ' ILE . 20.7 ttp85 -68.07 -33.81 75.25 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.334 -0.393 . . . . 0.0 110.586 -179.972 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 84' ' ' TYR . . . . . . . . . . . . . 21.8 t80 -59.55 -41.24 89.64 Favored 'General case' 0 C--N 1.329 -0.29 0 N-CA-C 109.419 -0.585 . . . . 0.0 109.419 176.098 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 85' ' ' ALA . . . . . 0.51 ' HA ' ' OG1' ' A' ' 88' ' ' THR . . . -69.25 -30.96 69.21 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-N 115.438 -0.801 . . . . 0.0 111.034 177.88 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 86' ' ' ILE . . . . . 0.496 HG13 ' O ' ' A' ' 82' ' ' PHE . 73.1 mt -64.55 -47.08 90.63 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.397 0 CA-C-O 121.095 0.474 . . . . 0.0 109.987 175.991 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 87' ' ' VAL . . . . . 0.413 HG23 ' O ' ' A' ' 83' ' ' ARG . 54.3 t -65.4 -35.09 74.48 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.364 0 CA-C-N 115.735 -0.666 . . . . 0.0 111.003 179.537 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 88' ' ' THR . . . . . 0.51 ' OG1' ' HA ' ' A' ' 85' ' ' ALA . 17.2 p -83.57 2.85 35.18 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 116.43 -0.35 . . . . 0.0 111.651 -179.11 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . 70.57 41.24 65.96 Favored Glycine 0 C--N 1.332 0.339 0 C-N-CA 121.088 -0.577 . . . . 0.0 112.578 176.573 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 76.9 mtt180 -124.29 -29.05 3.59 Favored 'General case' 0 C--N 1.323 -0.56 0 CA-C-O 120.751 0.31 . . . . 0.0 110.971 -179.463 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 91' ' ' ALA . . . . . 0.406 ' O ' ' HA ' ' A' ' 86' ' ' ILE . . . -118.42 137.38 53.19 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-O 120.866 0.365 . . . . 0.0 110.8 179.786 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 77.9 tttt -104.82 -37.25 7.1 Favored 'General case' 0 C--N 1.321 -0.632 0 CA-C-N 115.846 -0.615 . . . . 0.0 110.844 178.655 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 93' ' ' TYR . . . . . . . . . . . . . 91.6 t80 -139.0 137.56 36.45 Favored 'General case' 0 C--N 1.324 -0.531 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.853 -176.169 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 94' ' ' ASN . . . . . . . . . . . . . 10.2 p30 -113.49 138.75 22.66 Favored Pre-proline 0 C--N 1.326 -0.426 0 N-CA-C 109.508 -0.553 . . . . 0.0 109.508 174.77 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 95' ' ' PRO . . . . . . . . . . . . . 85.1 Cg_endo -82.17 28.54 0.56 Allowed 'Trans proline' 0 N--CA 1.463 -0.317 0 C-N-CA 122.72 2.28 . . . . 0.0 112.464 179.689 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 96' ' ' ALA . . . . . 0.572 ' N ' ' HD2' ' A' ' 97' ' ' PRO . . . -65.6 -45.53 67.6 Favored Pre-proline 0 CA--C 1.537 0.475 0 N-CA-C 112.577 0.584 . . . . 0.0 112.577 -177.739 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 97' ' ' PRO . . . . . 0.572 ' HD2' ' N ' ' A' ' 96' ' ' ALA . 5.7 Cg_endo -51.53 -45.74 35.87 Favored 'Trans proline' 0 C--N 1.358 1.035 0 C-N-CA 122.093 1.862 . . . . 0.0 112.486 175.06 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 8.4 m-20 -80.52 -21.27 42.03 Favored 'General case' 0 C--O 1.224 -0.261 0 C-N-CA 121.096 -0.241 . . . . 0.0 111.353 179.104 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 99' ' ' LEU . . . . . 0.437 ' HB3' ' O ' ' A' ' 96' ' ' ALA . 2.5 tm? -59.68 -50.43 73.88 Favored 'General case' 0 C--N 1.327 -0.403 0 N-CA-C 109.219 -0.66 . . . . 0.0 109.219 173.603 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 100' ' ' ALA . . . . . . . . . . . . . . . -68.71 -34.73 76.14 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 115.684 -0.689 . . . . 0.0 110.662 179.038 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 30.3 t70 -69.82 -41.21 75.29 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 116.013 -0.54 . . . . 0.0 111.151 -178.684 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -66.58 -48.22 70.29 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.287 178.036 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 103' ' ' MET . . . . . 0.404 ' CE ' HG21 ' A' ' 59' ' ' ILE . 38.3 ttm -50.63 -47.13 58.52 Favored 'General case' 0 N--CA 1.464 0.266 0 CA-C-N 116.005 -0.543 . . . . 0.0 111.111 171.767 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 104' ' ' LYS . . . . . . . . . . . . . 36.2 tttm -61.11 -34.05 74.33 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-N 115.546 -0.752 . . . . 0.0 111.217 179.427 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 105' ' ' GLY . . . . . . . . . . . . . . . -107.9 31.19 8.19 Favored Glycine 0 N--CA 1.448 -0.506 0 C-N-CA 120.774 -0.727 . . . . 0.0 112.206 179.4 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 106' ' ' TYR . . . . . . . . . . . . . 41.5 t80 -97.96 -11.23 23.32 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-O 121.52 0.676 . . . . 0.0 110.352 179.328 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 107' ' ' ARG . . . . . 0.414 HH11 ' HD2' ' A' ' 107' ' ' ARG . 8.8 ttm180 -132.11 57.13 1.79 Allowed 'General case' 0 C--N 1.321 -0.666 0 N-CA-C 108.697 -0.853 . . . . 0.0 108.697 -176.913 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 108' ' ' LYS . . . . . . . . . . . . . 85.5 mttt -67.72 -38.9 84.23 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 114.355 -1.293 . . . . 0.0 111.918 -174.964 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 109' ' ' LYS . . . . . . . . . . . . . 76.3 tttt -82.89 112.83 20.05 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-O 121.245 0.545 . . . . 0.0 111.425 -170.995 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 110' ' ' ASN . . . . . . . . . . . . . 33.6 t-20 -99.26 147.63 24.97 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 115.438 -0.801 . . . . 0.0 109.108 177.787 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 111' ' ' LEU . . . . . . . . . . . . . 84.5 mt -79.22 -59.92 2.58 Favored 'General case' 0 C--N 1.323 -0.582 0 CA-C-N 116.488 -0.324 . . . . 0.0 111.46 -175.236 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 112' ' ' GLU . . . . . . . . . . . . . 41.1 tt0 -92.41 137.36 32.43 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-O 120.902 0.382 . . . . 0.0 110.799 -175.47 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 113' ' ' HIS . . . . . . . . . . . . . 76.5 m-70 -130.96 162.4 29.8 Favored 'General case' 0 C--N 1.327 -0.412 0 N-CA-C 109.503 -0.555 . . . . 0.0 109.503 179.855 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 114' ' ' HIS . . . . . . . . . . . . . 12.7 t-80 -72.85 -31.15 64.55 Favored 'General case' 0 C--N 1.327 -0.377 0 N-CA-C 111.579 0.214 . . . . 0.0 111.579 -174.995 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 115' ' ' HIS . . . . . . . . . . . . . 18.8 m80 -86.05 97.98 10.6 Favored 'General case' 0 C--N 1.324 -0.531 0 CA-C-O 121.054 0.454 . . . . 0.0 110.593 177.075 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 116' ' ' HIS . . . . . . . . . . . . . 64.9 m-70 -89.5 68.65 7.83 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-N 115.873 -0.603 . . . . 0.0 109.381 -179.634 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 117' ' ' HIS . . . . . . . . . . . . . 11.6 p80 -81.57 160.61 23.8 Favored 'General case' 0 C--N 1.321 -0.644 0 CA-C-N 115.459 -0.791 . . . . 0.0 110.847 -177.544 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 118' ' ' HIS . . . . . . . . . . . . . 47.6 m80 . . . . . 0 C--O 1.247 0.935 0 CA-C-O 118.596 -0.716 . . . . 0.0 109.877 -179.703 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 20.0 m . . . . . 0 N--CA 1.477 0.918 0 N-CA-C 110.15 -0.315 . . . . 0.0 110.15 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 43.4 m -77.73 129.27 35.3 Favored 'General case' 0 C--N 1.322 -0.589 0 N-CA-C 108.682 -0.859 . . . . 0.0 108.682 169.331 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 3' ' ' ASN . . . . . . . . . . . . . 82.6 m-20 65.92 84.57 0.15 Allowed 'General case' 0 C--N 1.331 -0.212 0 O-C-N 123.692 0.62 . . . . 0.0 109.502 -171.1 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 4' ' ' ASN . . . . . . . . . . . . . 81.7 m-20 -82.63 -21.3 35.13 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-N 116.035 -0.529 . . . . 0.0 110.996 -176.74 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 83.8 m-20 -95.52 24.99 4.75 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-N 115.822 -0.626 . . . . 0.0 110.728 -179.324 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 61.8 m -62.92 141.43 58.71 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 115.976 -0.556 . . . . 0.0 109.797 175.668 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 7' ' ' PHE . . . . . 0.648 ' HE1' ' HZ ' ' A' ' 34' ' ' PHE . 5.3 t80 -58.54 -43.84 89.43 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 116.375 -0.375 . . . . 0.0 110.716 -175.972 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 50.1 m -57.59 -39.31 76.53 Favored 'General case' 0 CA--C 1.531 0.245 0 CA-C-N 116.488 -0.324 . . . . 0.0 111.674 178.973 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -66.11 -51.49 57.45 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.998 0.428 . . . . 0.0 110.942 -177.241 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 57.6 mt -66.07 -35.29 74.68 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.396 0 CA-C-N 115.963 -0.562 . . . . 0.0 110.516 -179.343 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 11' ' ' TYR . . . . . 0.534 ' OH ' ' HA ' ' A' ' 31' ' ' ALA . 90.8 t80 -61.08 -42.94 99.43 Favored 'General case' 0 C--O 1.223 -0.31 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.582 176.319 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 84.1 tttt -65.21 -34.29 78.01 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-O 120.646 0.26 . . . . 0.0 111.167 -176.904 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 47.4 tt0 -66.46 -51.17 59.66 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 121.175 0.512 . . . . 0.0 109.899 176.015 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 14' ' ' TRP . . . . . 0.411 ' HZ3' ' CE1' ' A' ' 11' ' ' TYR . 62.6 t90 -61.34 -45.46 94.32 Favored 'General case' 0 C--O 1.237 0.427 0 CA-C-N 115.286 -0.87 . . . . 0.0 110.999 179.111 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 15' ' ' TYR . . . . . 0.495 ' CE1' ' HB2' ' A' ' 31' ' ' ALA . 22.0 t80 -58.09 -56.2 25.07 Favored 'General case' 0 C--O 1.224 -0.287 0 CA-C-N 116.046 -0.525 . . . . 0.0 111.345 179.859 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 21.5 tt0 -63.97 -23.96 67.54 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.899 0.38 . . . . 0.0 110.668 -173.924 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 17' ' ' HIS . . . . . . . . . . . . . 75.4 t60 -69.78 -58.73 3.55 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-O 121.03 0.443 . . . . 0.0 110.419 175.289 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 81.5 mttt -77.89 -3.78 43.41 Favored 'General case' 0 C--N 1.329 -0.286 0 N-CA-C 111.776 0.287 . . . . 0.0 111.776 -177.035 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 83.7 tttt -64.27 -21.9 66.76 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-O 121.165 0.507 . . . . 0.0 109.892 174.997 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 92.6 mt-30 -85.86 -15.3 42.28 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 115.833 -0.621 . . . . 0.0 110.474 178.206 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 52.1 t -88.13 -53.48 9.67 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.385 0 CA-C-O 121.209 0.528 . . . . 0.0 110.358 -178.523 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 22' ' ' TRP . . . . . . . . . . . . . 8.0 m0 -78.41 171.65 14.78 Favored 'General case' 0 C--N 1.321 -0.662 0 CA-C-N 115.764 -0.653 . . . . 0.0 110.111 -179.865 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 36.4 p -73.94 149.02 41.64 Favored 'General case' 0 C--N 1.32 -0.693 0 N-CA-C 109.592 -0.521 . . . . 0.0 109.592 175.945 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 11.4 p -59.28 -36.15 61.95 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.392 0 CA-C-O 120.682 0.277 . . . . 0.0 111.236 -177.238 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -67.28 -42.85 90.05 Favored Glycine 0 N--CA 1.449 -0.459 0 C-N-CA 120.928 -0.653 . . . . 0.0 111.761 179.08 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 26' ' ' TYR . . . . . . . . . . . . . 70.1 t80 -70.61 -41.14 72.68 Favored 'General case' 0 C--N 1.325 -0.493 0 N-CA-C 110.257 -0.275 . . . . 0.0 110.257 179.023 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -62.47 -42.96 99.85 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.308 -0.406 . . . . 0.0 111.026 -179.368 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 61.5 m -62.21 -44.41 96.64 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.3 -0.409 . . . . 0.0 110.655 178.442 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 29' ' ' GLU . . . . . 0.593 ' O ' ' HG3' ' A' ' 33' ' ' MET . 10.8 tp10 -67.43 -46.19 73.87 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.41 -0.359 . . . . 0.0 110.572 -179.821 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 10.3 tt -57.1 -47.51 80.89 Favored 'General case' 0 C--O 1.235 0.294 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.58 -179.95 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 31' ' ' ALA . . . . . 0.534 ' HA ' ' OH ' ' A' ' 11' ' ' TYR . . . -65.55 -37.39 86.58 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 116.356 -0.384 . . . . 0.0 110.656 179.307 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 32' ' ' LYS . . . . . 0.521 ' O ' ' HB2' ' A' ' 36' ' ' ASP . 54.0 tttm -63.37 -44.32 95.1 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.547 -0.297 . . . . 0.0 110.688 178.076 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 33' ' ' MET . . . . . 0.593 ' HG3' ' O ' ' A' ' 29' ' ' GLU . 38.2 mtm -57.06 -40.97 77.89 Favored 'General case' 0 N--CA 1.464 0.245 0 CA-C-O 121.433 0.635 . . . . 0.0 110.314 178.194 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 34' ' ' PHE . . . . . 0.692 ' O ' ' HB ' ' A' ' 38' ' ' ILE . 8.3 t80 -71.23 -45.65 62.82 Favored 'General case' 0 N--CA 1.449 -0.48 0 CA-C-N 115.355 -0.838 . . . . 0.0 110.016 -177.179 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 35' ' ' ASP . . . . . 0.865 ' HA ' ' HG ' ' A' ' 39' ' ' LEU . 10.5 t70 -58.74 -58.52 8.21 Favored 'General case' 0 C--N 1.322 -0.6 0 CA-C-N 115.773 -0.649 . . . . 0.0 110.023 176.188 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 36' ' ' ASP . . . . . 0.521 ' HB2' ' O ' ' A' ' 32' ' ' LYS . 1.0 OUTLIER -52.67 -46.19 67.09 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 114.441 -1.254 . . . . 0.0 113.33 -170.979 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 37' ' ' ASP . . . . . 0.426 ' O ' HG12 ' A' ' 41' ' ' ILE . 37.8 m-20 -110.96 -42.84 3.88 Favored 'General case' 0 C--N 1.326 -0.444 0 N-CA-C 112.506 0.558 . . . . 0.0 112.506 -172.479 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 38' ' ' ILE . . . . . 0.692 ' HB ' ' O ' ' A' ' 34' ' ' PHE . 1.5 mp -69.65 -39.82 78.64 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 CA-C-O 120.418 0.152 . . . . 0.0 111.31 -174.75 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 39' ' ' LEU . . . . . 0.865 ' HG ' ' HA ' ' A' ' 35' ' ' ASP . 13.7 mt -63.7 -47.28 82.31 Favored Pre-proline 0 CA--C 1.534 0.34 0 N-CA-C 112.796 0.665 . . . . 0.0 112.796 -172.926 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 40' ' ' PRO . . . . . 0.45 ' HD3' ' HB2' ' A' ' 39' ' ' LEU . 55.6 Cg_exo -54.99 -26.62 50.35 Favored 'Trans proline' 0 C--N 1.351 0.696 0 C-N-CA 121.862 1.708 . . . . 0.0 112.542 175.019 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 41' ' ' ILE . . . . . 0.545 HG22 HG23 ' A' ' 42' ' ' ILE . 31.6 mm -88.82 -64.03 1.21 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.352 0 CA-C-N 116.663 -0.244 . . . . 0.0 111.299 -176.391 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 42' ' ' ILE . . . . . 0.545 HG23 HG22 ' A' ' 41' ' ' ILE . 11.3 pt -128.82 8.4 2.75 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.256 0 N-CA-C 112.532 0.568 . . . . 0.0 112.532 -174.725 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 43' ' ' GLY . . . . . 0.547 ' HA3' ' HA ' ' A' ' 39' ' ' LEU . . . -61.7 -38.63 96.21 Favored Glycine 0 C--O 1.237 0.32 0 C-N-CA 120.483 -0.865 . . . . 0.0 112.848 -176.204 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -89.53 9.11 78.27 Favored Glycine 0 N--CA 1.445 -0.736 0 C-N-CA 120.816 -0.707 . . . . 0.0 112.301 -178.937 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 45' ' ' LEU . . . . . 0.422 HD12 ' HA ' ' A' ' 42' ' ' ILE . 96.6 mt -94.63 157.04 16.14 Favored 'General case' 0 C--N 1.327 -0.391 0 N-CA-C 109.923 -0.399 . . . . 0.0 109.923 178.432 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 44.1 mt-10 -81.15 140.8 34.78 Favored 'General case' 0 C--N 1.323 -0.572 0 N-CA-C 109.331 -0.618 . . . . 0.0 109.331 175.964 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 47' ' ' ILE . . . . . 0.523 HD13 ' HB2' ' A' ' 85' ' ' ALA . 15.5 tt -65.94 -12.96 14.97 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.699 0 CA-C-O 121.367 0.603 . . . . 0.0 111.113 -176.921 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 86.7 mt-30 -89.49 -14.61 34.89 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 115.943 -0.572 . . . . 0.0 110.907 179.903 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 20.1 t70 -139.79 83.18 1.91 Allowed 'General case' 0 C--N 1.323 -0.545 0 CA-C-O 121.148 0.499 . . . . 0.0 110.62 -174.706 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 50' ' ' ILE . . . . . . . . . . . . . 77.3 mt -134.12 131.04 55.36 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 CA-C-N 115.493 -0.776 . . . . 0.0 109.867 177.307 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 39.1 mt-10 -76.88 138.94 65.68 Favored Pre-proline 0 C--N 1.324 -0.533 0 CA-C-N 116.461 -0.336 . . . . 0.0 110.498 179.759 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 52' ' ' PRO . . . . . 0.52 ' HB3' ' HB3' ' A' ' 98' ' ' ASP . 9.4 Cg_endo -54.21 -37.51 87.86 Favored 'Trans proline' 0 C--N 1.344 0.338 0 C-N-CA 122.78 2.32 . . . . 0.0 112.313 177.727 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 53' ' ' MET . . . . . . . . . . . . . 92.0 mmm -67.88 -30.1 69.37 Favored 'General case' 0 C--N 1.332 -0.187 0 CA-C-N 116.561 -0.291 . . . . 0.0 111.247 179.443 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 78.5 mt-30 -74.33 -36.77 63.69 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-O 120.978 0.418 . . . . 0.0 110.531 177.407 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 55' ' ' LEU . . . . . 0.662 HD23 ' HB2' ' A' ' 99' ' ' LEU . 19.9 tp -67.02 -36.38 81.99 Favored 'General case' 0 C--N 1.322 -0.625 0 N-CA-C 109.145 -0.687 . . . . 0.0 109.145 175.417 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 56' ' ' LEU . . . . . 0.499 ' O ' HD22 ' A' ' 56' ' ' LEU . 1.9 tm? -69.57 -34.47 74.22 Favored 'General case' 0 C--O 1.219 -0.533 0 CA-C-N 115.611 -0.722 . . . . 0.0 109.86 175.451 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 34.0 tt0 -61.26 -32.87 72.69 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.94 0.4 . . . . 0.0 110.262 177.668 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 58' ' ' VAL . . . . . 0.474 ' O ' ' HB3' ' A' ' 61' ' ' ARG . 75.8 t -64.54 -54.57 28.81 Favored 'Isoleucine or valine' 0 C--O 1.237 0.422 0 CA-C-O 121.336 0.589 . . . . 0.0 110.601 174.611 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 59' ' ' ILE . . . . . . . . . . . . . 1.7 mp -58.76 -41.59 82.96 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 CA-C-N 115.675 -0.693 . . . . 0.0 110.025 177.271 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 17.6 tpt180 -66.3 -30.26 70.64 Favored 'General case' 0 C--N 1.324 -0.524 0 CA-C-N 115.292 -0.867 . . . . 0.0 110.438 -179.516 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 61' ' ' ARG . . . . . 0.474 ' HB3' ' O ' ' A' ' 58' ' ' VAL . 8.7 tpt180 -59.37 -43.06 92.94 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 115.993 -0.549 . . . . 0.0 109.627 175.355 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 62' ' ' PHE . . . . . . . . . . . . . 77.0 m-85 -73.11 -27.8 61.9 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.043 -0.526 . . . . 0.0 111.467 177.102 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 30.7 mt-10 -70.89 -34.8 71.93 Favored 'General case' 0 C--N 1.327 -0.408 0 C-N-CA 121.088 -0.245 . . . . 0.0 110.712 175.698 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 13.6 t70 -62.33 -40.74 97.35 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 121.17 0.51 . . . . 0.0 109.705 173.213 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 30.2 ttm180 -65.1 -28.7 69.63 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 115.361 -0.836 . . . . 0.0 110.417 174.109 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 89.33 27.81 21.75 Favored Glycine 0 N--CA 1.447 -0.593 0 C-N-CA 120.999 -0.62 . . . . 0.0 112.198 178.114 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -111.42 94.35 4.93 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-O 120.745 0.307 . . . . 0.0 110.495 -179.127 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 68' ' ' MET . . . . . 0.532 ' HA ' ' CE ' ' A' ' 68' ' ' MET . 13.7 mmt -64.34 -51.28 64.16 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.11 -0.495 . . . . 0.0 111.413 -177.503 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 69' ' ' GLU . . . . . 0.456 ' O ' ' HG3' ' A' ' 73' ' ' LYS . 51.7 mt-10 -55.14 -48.28 73.91 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 115.675 -0.693 . . . . 0.0 110.68 179.796 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 25.5 ttm180 -73.57 -21.7 60.28 Favored 'General case' 0 C--N 1.322 -0.601 0 CA-C-N 115.546 -0.752 . . . . 0.0 111.359 -173.781 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -68.79 -45.77 70.43 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-O 120.929 0.395 . . . . 0.0 110.366 176.446 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 72' ' ' ASN . . . . . . . . . . . . . 86.2 m-20 -69.34 -31.58 70.12 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.74 178.006 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 73' ' ' LYS . . . . . 0.456 ' HG3' ' O ' ' A' ' 69' ' ' GLU . 99.3 mttt -68.29 -34.19 75.71 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.569 178.125 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -59.22 -52.65 64.75 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.871 0.367 . . . . 0.0 110.049 170.461 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 57.5 ttt180 -54.41 -50.69 67.0 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 115.235 -0.893 . . . . 0.0 111.713 -179.797 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 30.6 ttp180 -63.38 -36.11 82.62 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.359 -0.382 . . . . 0.0 111.118 -175.969 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 77' ' ' ARG . . . . . 0.509 ' O ' HG23 ' A' ' 81' ' ' VAL . 78.3 mtm180 -69.11 -51.11 41.84 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.45 -0.341 . . . . 0.0 110.576 178.527 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 78' ' ' CYS . . . . . . . . . . . . . 77.8 m -56.83 -45.19 82.51 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.827 0.346 . . . . 0.0 110.436 178.324 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . -60.46 -34.62 86.2 Favored Glycine 0 N--CA 1.45 -0.372 0 CA-C-N 115.997 -0.547 . . . . 0.0 112.63 178.304 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 30.0 tt0 -75.4 -32.87 60.9 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.747 0.274 . . . . 0.0 110.346 179.759 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 81' ' ' VAL . . . . . 0.509 HG23 ' O ' ' A' ' 77' ' ' ARG . 63.9 t -64.87 -41.88 93.35 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 N-CA-C 109.673 -0.492 . . . . 0.0 109.673 174.372 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 82' ' ' PHE . . . . . 0.581 ' HB3' ' HB3' ' A' ' 94' ' ' ASN . 43.9 m-85 -59.47 -45.43 91.65 Favored 'General case' 0 C--N 1.332 -0.162 0 CA-C-O 121.104 0.478 . . . . 0.0 110.261 173.177 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 83' ' ' ARG . . . . . 0.476 ' O ' HG23 ' A' ' 87' ' ' VAL . 79.6 ttt180 -59.14 -44.72 92.09 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 115.772 -0.649 . . . . 0.0 110.5 177.207 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 84' ' ' TYR . . . . . . . . . . . . . 48.7 t80 -58.41 -39.29 79.34 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 115.771 -0.649 . . . . 0.0 110.253 178.099 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 85' ' ' ALA . . . . . 0.523 ' HB2' HD13 ' A' ' 47' ' ' ILE . . . -68.19 -36.37 79.47 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 115.94 -0.573 . . . . 0.0 111.07 178.759 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 86' ' ' ILE . . . . . 0.432 HG13 ' O ' ' A' ' 82' ' ' PHE . 77.0 mt -62.72 -42.72 97.24 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 CA-C-O 120.944 0.402 . . . . 0.0 110.059 175.885 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 87' ' ' VAL . . . . . 0.476 HG23 ' O ' ' A' ' 83' ' ' ARG . 46.7 t -66.72 -37.35 79.32 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.392 0 CA-C-N 116.105 -0.498 . . . . 0.0 111.013 178.599 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 88' ' ' THR . . . . . 0.455 ' OG1' ' HA ' ' A' ' 85' ' ' ALA . 19.4 p -84.59 -0.22 52.48 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.538 -178.281 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . 72.53 17.72 78.05 Favored Glycine 0 C--N 1.331 0.297 0 C-N-CA 120.912 -0.661 . . . . 0.0 112.537 178.5 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 86.0 mtt180 -93.13 -9.87 37.94 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-O 120.877 0.37 . . . . 0.0 110.662 -179.343 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . -145.48 159.72 42.67 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.303 177.833 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 97.2 mttt -115.89 -40.03 3.39 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-O 121.004 0.43 . . . . 0.0 110.385 179.563 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 93' ' ' TYR . . . . . . . . . . . . . 77.0 t80 -133.79 139.49 46.34 Favored 'General case' 0 C--N 1.321 -0.648 0 CA-C-N 116.046 -0.525 . . . . 0.0 110.278 179.85 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 94' ' ' ASN . . . . . 0.581 ' HB3' ' HB3' ' A' ' 82' ' ' PHE . 20.2 p-10 -110.09 128.48 25.3 Favored Pre-proline 0 C--N 1.321 -0.661 0 CA-C-N 115.895 -0.593 . . . . 0.0 110.372 177.836 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 95' ' ' PRO . . . . . . . . . . . . . 60.3 Cg_endo -75.0 39.62 0.6 Allowed 'Trans proline' 0 CA--C 1.531 0.34 0 C-N-CA 122.993 2.462 . . . . 0.0 112.793 -179.767 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 96' ' ' ALA . . . . . 0.559 ' HB3' ' HD3' ' A' ' 97' ' ' PRO . . . -67.57 -47.03 47.18 Favored Pre-proline 0 C--N 1.326 -0.448 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.539 179.046 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 97' ' ' PRO . . . . . 0.559 ' HD3' ' HB3' ' A' ' 96' ' ' ALA . 25.0 Cg_exo -64.47 -34.71 52.5 Favored 'Trans proline' 0 C--N 1.358 1.029 0 C-N-CA 121.83 1.687 . . . . 0.0 111.479 173.471 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 98' ' ' ASP . . . . . 0.52 ' HB3' ' HB3' ' A' ' 52' ' ' PRO . 3.2 m-20 -60.93 -40.86 94.85 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 115.468 -0.787 . . . . 0.0 110.195 177.995 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 99' ' ' LEU . . . . . 0.662 ' HB2' HD23 ' A' ' 55' ' ' LEU . 3.2 tm? -57.54 -45.59 84.87 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 115.683 -0.689 . . . . 0.0 109.91 176.035 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 100' ' ' ALA . . . . . 0.581 ' O ' ' HG3' ' A' ' 104' ' ' LYS . . . -63.5 -47.46 81.64 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-N 115.832 -0.622 . . . . 0.0 110.73 -179.013 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 31.4 t70 -66.26 -38.49 87.96 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.359 -0.382 . . . . 0.0 111.152 -178.49 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -62.99 -42.53 99.87 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.443 -0.344 . . . . 0.0 110.628 177.719 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 103' ' ' MET . . . . . . . . . . . . . 45.9 ttm -56.72 -43.74 80.91 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 115.843 -0.617 . . . . 0.0 110.268 175.734 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 104' ' ' LYS . . . . . 0.581 ' HG3' ' O ' ' A' ' 100' ' ' ALA . 86.8 mttt -65.91 -43.16 88.96 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 115.767 -0.651 . . . . 0.0 110.625 178.643 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 105' ' ' GLY . . . . . . . . . . . . . . . -65.72 -30.67 77.79 Favored Glycine 0 N--CA 1.451 -0.35 0 CA-C-N 115.605 -0.725 . . . . 0.0 112.578 -179.78 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 106' ' ' TYR . . . . . . . . . . . . . 18.6 t80 -76.7 -34.41 58.18 Favored 'General case' 0 C--N 1.325 -0.495 0 N-CA-C 109.733 -0.469 . . . . 0.0 109.733 177.423 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 107' ' ' ARG . . . . . . . . . . . . . 53.7 ttp180 -62.39 -48.0 81.67 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 115.622 -0.717 . . . . 0.0 110.589 176.596 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 108' ' ' LYS . . . . . . . . . . . . . 62.6 tttp -130.27 85.93 2.34 Favored 'General case' 0 C--N 1.322 -0.603 0 CA-C-O 121.547 0.689 . . . . 0.0 109.511 -179.956 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 109' ' ' LYS . . . . . . . . . . . . . 21.1 pttm -71.18 130.21 40.89 Favored 'General case' 0 C--N 1.314 -0.969 0 CA-C-N 114.899 -1.046 . . . . 0.0 110.965 -179.738 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 110' ' ' ASN . . . . . . . . . . . . . 30.3 t30 -112.94 104.46 12.43 Favored 'General case' 0 C--N 1.321 -0.646 0 CA-C-N 115.702 -0.681 . . . . 0.0 109.295 176.472 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 111' ' ' LEU . . . . . . . . . . . . . 46.0 tp -70.17 126.53 29.95 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-N 115.819 -0.628 . . . . 0.0 111.185 -174.662 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 112' ' ' GLU . . . . . . . . . . . . . 8.7 tm-20 -57.25 -42.78 82.15 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 115.523 -0.762 . . . . 0.0 110.706 177.025 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 113' ' ' HIS . . . . . . . . . . . . . 1.3 m80 -84.06 80.52 9.14 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.822 176.847 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 114' ' ' HIS . . . . . . . . . . . . . 48.7 m80 -68.29 131.15 44.85 Favored 'General case' 0 C--N 1.325 -0.461 0 N-CA-C 109.772 -0.455 . . . . 0.0 109.772 177.413 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 115' ' ' HIS . . . . . . . . . . . . . 43.8 m80 -78.88 -21.73 47.03 Favored 'General case' 0 C--N 1.325 -0.483 0 N-CA-C 111.792 0.293 . . . . 0.0 111.792 -173.823 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 116' ' ' HIS . . . . . . . . . . . . . 36.3 m80 69.91 -73.41 0.09 Allowed 'General case' 0 N--CA 1.472 0.648 0 O-C-N 123.526 0.516 . . . . 0.0 110.294 -178.093 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 117' ' ' HIS . . . . . . . . . . . . . 22.9 m170 -125.92 -162.09 1.1 Allowed 'General case' 0 C--N 1.323 -0.574 0 CA-C-N 115.856 -0.611 . . . . 0.0 109.418 177.073 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 118' ' ' HIS . . . . . . . . . . . . . 86.5 m-70 . . . . . 0 C--O 1.251 1.136 0 CA-C-O 118.851 -0.595 . . . . 0.0 110.14 177.833 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 68.8 m . . . . . 0 N--CA 1.476 0.853 0 CA-C-O 120.897 0.379 . . . . 0.0 110.641 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 11.7 p -73.21 144.56 46.73 Favored 'General case' 0 N--CA 1.447 -0.585 0 CA-C-N 116.31 -0.405 . . . . 0.0 110.66 177.628 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 3' ' ' ASN . . . . . . . . . . . . . 93.7 m-20 -84.96 -4.29 59.08 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-O 121.617 0.722 . . . . 0.0 109.299 176.324 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 4' ' ' ASN . . . . . . . . . . . . . 52.3 t-20 -113.44 106.71 14.9 Favored 'General case' 0 C--N 1.322 -0.608 0 CA-C-N 114.838 -1.074 . . . . 0.0 108.301 173.242 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 5' ' ' ASN . . . . . 0.445 ' OD1' ' HD2' ' A' ' 90' ' ' ARG . 93.3 m-20 -98.33 27.53 4.64 Favored 'General case' 0 C--N 1.324 -0.53 0 CA-C-N 116.442 -0.344 . . . . 0.0 111.834 -174.055 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 41.1 m -69.02 151.53 46.37 Favored 'General case' 0 C--O 1.237 0.416 0 N-CA-C 110.082 -0.34 . . . . 0.0 110.082 175.306 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 7' ' ' PHE . . . . . . . . . . . . . 64.1 t80 -56.31 -44.91 80.37 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 115.903 -0.589 . . . . 0.0 111.208 -177.085 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 25.2 p -60.49 -40.0 89.73 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 120.684 0.278 . . . . 0.0 111.737 -177.437 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -61.95 -49.48 75.96 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-O 121.221 0.534 . . . . 0.0 110.887 -179.188 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 10' ' ' ILE . . . . . 0.654 HG23 HH21 ' A' ' 90' ' ' ARG . 68.2 mt -69.77 -37.19 73.0 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 CA-C-N 115.665 -0.698 . . . . 0.0 110.248 179.428 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 1.0 OUTLIER -55.28 -44.99 76.17 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 115.655 -0.702 . . . . 0.0 111.069 176.13 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 60.6 tttm -66.77 -40.39 88.21 Favored 'General case' 0 C--N 1.33 -0.261 0 C-N-CA 120.593 -0.443 . . . . 0.0 111.177 179.803 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 40.5 tt0 -62.63 -48.26 80.13 Favored 'General case' 0 C--O 1.234 0.253 0 CA-C-O 121.113 0.482 . . . . 0.0 110.069 178.849 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 14' ' ' TRP . . . . . 0.457 ' CZ2' ' HG3' ' A' ' 77' ' ' ARG . 54.3 t90 -61.69 -49.0 78.27 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 115.602 -0.726 . . . . 0.0 110.452 176.934 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 15' ' ' TYR . . . . . 0.518 ' CE1' ' HB2' ' A' ' 31' ' ' ALA . 22.3 t80 -57.85 -52.81 63.94 Favored 'General case' 0 C--O 1.223 -0.291 0 CA-C-N 116.39 -0.368 . . . . 0.0 111.592 -178.801 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 41.1 tt0 -61.26 -32.52 72.34 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-O 120.917 0.389 . . . . 0.0 110.931 -175.541 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 17' ' ' HIS . . . . . . . . . . . . . 1.5 t-80 -77.74 -42.48 34.05 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.242 178.473 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 35.5 tptt -75.79 -19.34 59.06 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-O 121.219 0.533 . . . . 0.0 110.528 -177.022 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 41.4 tttm -63.41 -18.88 64.18 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 115.658 -0.701 . . . . 0.0 110.74 176.697 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 80.5 mt-30 -74.38 -16.13 60.9 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.064 -0.517 . . . . 0.0 110.319 176.978 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 40.6 t -95.99 -43.51 12.7 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.437 0 CA-C-N 116.045 -0.525 . . . . 0.0 111.076 -175.67 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 22' ' ' TRP . . . . . . . . . . . . . 12.3 m0 -89.23 170.33 10.69 Favored 'General case' 0 C--N 1.321 -0.634 0 CA-C-N 116.065 -0.516 . . . . 0.0 111.11 -176.889 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 6.4 m -73.24 142.18 47.27 Favored 'General case' 0 C--N 1.324 -0.541 0 N-CA-C 108.994 -0.743 . . . . 0.0 108.994 174.626 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 12.6 p -53.41 -38.08 31.47 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.368 0 N-CA-C 111.974 0.361 . . . . 0.0 111.974 -175.209 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -66.53 -48.95 59.42 Favored Glycine 0 N--CA 1.449 -0.482 0 C-N-CA 120.664 -0.779 . . . . 0.0 112.098 178.723 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 26' ' ' TYR . . . . . . . . . . . . . 66.7 t80 -63.93 -39.25 93.73 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.861 0.362 . . . . 0.0 110.155 179.658 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -62.74 -41.38 99.16 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 115.854 -0.612 . . . . 0.0 110.635 178.464 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 59.6 m -62.88 -47.0 85.23 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.42 -0.355 . . . . 0.0 110.606 178.028 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 27.9 mt-10 -65.81 -42.14 91.01 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.406 -0.361 . . . . 0.0 111.327 -178.947 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 10.3 tt -63.28 -41.52 99.01 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.455 -0.339 . . . . 0.0 110.359 179.667 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 31' ' ' ALA . . . . . 0.518 ' HB2' ' CE1' ' A' ' 15' ' ' TYR . . . -65.56 -48.67 71.6 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.447 -0.342 . . . . 0.0 110.546 177.985 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 86.3 tttt -56.36 -35.62 67.89 Favored 'General case' 0 C--N 1.332 -0.192 0 CA-C-N 116.319 -0.401 . . . . 0.0 110.511 178.681 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 33' ' ' MET . . . . . . . . . . . . . 54.9 ttp -63.34 -52.93 59.77 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 115.937 -0.574 . . . . 0.0 110.797 177.314 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 34' ' ' PHE . . . . . 0.619 ' CD2' HD12 ' A' ' 38' ' ' ILE . 8.3 m-85 -62.72 -38.07 89.01 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-O 121.041 0.448 . . . . 0.0 110.838 178.955 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 35' ' ' ASP . . . . . 0.681 ' HA ' ' HG ' ' A' ' 39' ' ' LEU . 10.8 t70 -62.93 -59.45 4.82 Favored 'General case' 0 C--N 1.32 -0.675 0 CA-C-N 115.828 -0.624 . . . . 0.0 111.075 178.474 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 38.4 t70 -66.93 -33.08 74.8 Favored 'General case' 0 C--N 1.327 -0.373 0 N-CA-C 112.81 0.67 . . . . 0.0 112.81 -168.832 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 7.2 m-20 -100.46 -51.15 3.7 Favored 'General case' 0 C--N 1.325 -0.491 0 N-CA-C 112.164 0.431 . . . . 0.0 112.164 -177.331 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 38' ' ' ILE . . . . . 0.619 HD12 ' CD2' ' A' ' 34' ' ' PHE . 11.5 mt -80.71 -34.5 14.2 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.581 0 N-CA-C 112.507 0.558 . . . . 0.0 112.507 -169.598 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 39' ' ' LEU . . . . . 0.681 ' HG ' ' HA ' ' A' ' 35' ' ' ASP . 21.5 mt -67.87 -41.58 29.2 Favored Pre-proline 0 CA--C 1.54 0.588 0 N-CA-C 112.837 0.68 . . . . 0.0 112.837 -176.367 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 40' ' ' PRO . . . . . 0.486 ' HD3' ' O ' ' A' ' 35' ' ' ASP . 31.3 Cg_exo -62.42 -13.95 36.07 Favored 'Trans proline' 0 C--N 1.354 0.831 0 C-N-CA 121.834 1.689 . . . . 0.0 112.716 174.217 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 41' ' ' ILE . . . . . 0.603 HG22 HG23 ' A' ' 42' ' ' ILE . 46.1 mm -96.85 -56.77 4.92 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.582 -0.281 . . . . 0.0 111.056 -179.606 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 42' ' ' ILE . . . . . 0.603 HG23 HG22 ' A' ' 41' ' ' ILE . 17.0 pt -131.88 12.99 1.75 Allowed 'Isoleucine or valine' 0 N--CA 1.467 0.402 0 N-CA-C 112.608 0.596 . . . . 0.0 112.608 -175.042 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -54.88 -49.96 60.21 Favored Glycine 0 CA--C 1.517 0.177 0 C-N-CA 120.922 -0.656 . . . . 0.0 113.51 -173.888 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -91.78 19.37 48.82 Favored Glycine 0 N--CA 1.447 -0.592 0 C-N-CA 120.702 -0.761 . . . . 0.0 113.024 -177.417 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 45' ' ' LEU . . . . . 0.495 HD12 ' HA ' ' A' ' 42' ' ' ILE . 96.9 mt -100.85 141.87 33.12 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 117.358 0.579 . . . . 0.0 110.625 179.151 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 46' ' ' GLU . . . . . 0.595 ' O ' HG13 ' A' ' 50' ' ' ILE . 45.9 mt-10 -57.05 129.03 39.96 Favored 'General case' 0 CA--C 1.514 -0.418 0 CA-C-N 116.182 -0.463 . . . . 0.0 109.784 174.259 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 47' ' ' ILE . . . . . 0.546 HD11 ' HA ' ' A' ' 82' ' ' PHE . 19.2 tt -55.35 -33.4 31.27 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.599 0 O-C-N 123.604 0.565 . . . . 0.0 112.338 -173.558 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 49.9 tt0 -89.12 -13.75 37.8 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 121.037 0.446 . . . . 0.0 110.916 -179.397 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 7.9 t70 -103.56 5.48 36.71 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-O 121.31 0.576 . . . . 0.0 110.63 -174.686 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 50' ' ' ILE . . . . . 0.595 HG13 ' O ' ' A' ' 46' ' ' GLU . 96.9 mt -73.41 135.3 27.91 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 CA-C-N 115.644 -0.707 . . . . 0.0 110.39 178.066 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 35.8 mt-10 -76.17 145.52 76.9 Favored Pre-proline 0 C--N 1.325 -0.469 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.89 -179.931 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 52' ' ' PRO . . . . . . . . . . . . . 38.9 Cg_exo -57.6 -35.27 98.87 Favored 'Trans proline' 0 N--CA 1.464 -0.236 0 C-N-CA 122.3 2.0 . . . . 0.0 110.908 172.392 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 53' ' ' MET . . . . . . . . . . . . . 50.7 ttm -67.39 -32.62 73.65 Favored 'General case' 0 C--N 1.331 -0.198 0 CA-C-N 115.618 -0.719 . . . . 0.0 110.702 177.606 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 94.0 mt-30 -74.27 -39.73 62.79 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.32 -0.4 . . . . 0.0 110.822 179.752 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 55' ' ' LEU . . . . . 0.423 ' O ' ' HB ' ' A' ' 58' ' ' VAL . 16.4 tp -68.67 -33.5 74.08 Favored 'General case' 0 C--N 1.322 -0.593 0 N-CA-C 109.516 -0.55 . . . . 0.0 109.516 177.615 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 2.3 tm? -68.84 -36.33 78.04 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 115.875 -0.602 . . . . 0.0 109.514 174.007 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 7.7 tp10 -60.9 -38.42 85.64 Favored 'General case' 0 C--N 1.329 -0.303 0 N-CA-C 109.738 -0.467 . . . . 0.0 109.738 175.1 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 58' ' ' VAL . . . . . 0.55 HG13 HG12 ' A' ' 38' ' ' ILE . 54.0 t -60.56 -54.4 35.7 Favored 'Isoleucine or valine' 0 C--O 1.239 0.5 0 CA-C-O 121.464 0.649 . . . . 0.0 110.607 174.313 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 59' ' ' ILE . . . . . . . . . . . . . 1.6 mp -57.58 -39.88 71.98 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.41 0 CA-C-N 115.572 -0.74 . . . . 0.0 110.614 178.894 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 60' ' ' ARG . . . . . 0.602 ' HA ' ' HB3' ' A' ' 63' ' ' GLU . 18.9 mtp85 -76.57 -21.06 56.15 Favored 'General case' 0 C--N 1.328 -0.342 0 N-CA-C 111.89 0.33 . . . . 0.0 111.89 -179.508 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 6.8 tpt85 -61.25 -35.88 78.47 Favored 'General case' 0 C--N 1.327 -0.387 0 N-CA-C 108.914 -0.773 . . . . 0.0 108.914 172.93 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 62' ' ' PHE . . . . . . . . . . . . . 96.3 m-85 -82.04 -39.0 24.15 Favored 'General case' 0 C--O 1.236 0.351 0 CA-C-N 115.518 -0.764 . . . . 0.0 111.407 173.09 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 63' ' ' GLU . . . . . 0.602 ' HB3' ' HA ' ' A' ' 60' ' ' ARG . 29.6 tt0 -56.03 -43.97 78.29 Favored 'General case' 0 N--CA 1.467 0.399 0 CA-C-N 116.111 -0.495 . . . . 0.0 111.98 -177.366 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 20.3 t70 -59.3 -29.11 67.38 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.001 -0.545 . . . . 0.0 111.635 -174.213 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 75.3 mtm-85 -91.52 1.82 56.87 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.751 0.31 . . . . 0.0 111.334 -179.607 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 81.97 9.75 84.9 Favored Glycine 0 N--CA 1.452 -0.289 0 C-N-CA 120.767 -0.73 . . . . 0.0 112.413 179.008 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -82.4 71.63 9.47 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-O 120.951 0.405 . . . . 0.0 110.49 -179.383 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 68' ' ' MET . . . . . 0.548 ' HA ' ' CE ' ' A' ' 68' ' ' MET . 8.8 mmt -60.33 -41.32 93.29 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 115.804 -0.634 . . . . 0.0 111.005 -178.93 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 10.2 tt0 -57.87 -49.97 74.91 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.065 -0.516 . . . . 0.0 110.503 -179.826 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 70' ' ' ARG . . . . . 0.505 ' N ' ' HD2' ' A' ' 70' ' ' ARG . 1.5 mpt_? -72.83 -26.53 61.52 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-N 115.865 -0.607 . . . . 0.0 111.095 -175.117 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -67.46 -41.55 84.48 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-O 121.097 0.475 . . . . 0.0 110.24 175.132 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 72' ' ' ASN . . . . . . . . . . . . . 44.1 m-80 -75.03 -37.57 61.69 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.048 -0.524 . . . . 0.0 110.696 178.193 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 87.3 mttt -61.05 -44.57 97.2 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.506 -0.316 . . . . 0.0 110.519 175.463 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -59.8 -45.07 93.47 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.305 -0.407 . . . . 0.0 110.175 176.34 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 76.4 ttt180 -56.81 -50.46 72.3 Favored 'General case' 0 CA--C 1.533 0.297 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.253 177.584 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 76' ' ' ARG . . . . . 0.424 HH11 ' HD3' ' A' ' 76' ' ' ARG . 50.1 mtt180 -61.63 -47.17 86.63 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 121.053 0.454 . . . . 0.0 111.317 179.311 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 77' ' ' ARG . . . . . 0.457 ' HG3' ' CZ2' ' A' ' 14' ' ' TRP . 0.0 OUTLIER -74.77 -37.31 62.47 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-N 115.788 -0.642 . . . . 0.0 112.144 -172.171 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 78' ' ' CYS . . . . . . . . . . . . . 28.2 p -65.02 -46.27 82.03 Favored 'General case' 0 C--N 1.33 -0.26 0 C-N-CA 120.279 -0.568 . . . . 0.0 109.839 179.677 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . -56.65 -35.64 68.07 Favored Glycine 0 C--N 1.334 0.453 0 C-N-CA 120.769 -0.729 . . . . 0.0 111.741 175.622 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 35.6 tt0 -66.55 -45.46 79.3 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 115.734 -0.233 . . . . 0.0 110.649 177.285 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 81' ' ' VAL . . . . . 0.444 HG23 ' O ' ' A' ' 77' ' ' ARG . 87.2 t -63.14 -44.04 99.2 Favored 'Isoleucine or valine' 0 C--O 1.235 0.302 0 CA-C-O 120.844 0.354 . . . . 0.0 110.522 177.811 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 82' ' ' PHE . . . . . 0.546 ' HA ' HD11 ' A' ' 47' ' ' ILE . 5.7 m-85 -57.79 -48.03 80.86 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.495 176.621 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 83' ' ' ARG . . . . . 0.485 ' O ' HG23 ' A' ' 87' ' ' VAL . 42.2 ttm180 -65.83 -35.77 81.61 Favored 'General case' 0 C--N 1.323 -0.554 0 CA-C-N 115.891 -0.595 . . . . 0.0 110.757 179.17 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 84' ' ' TYR . . . . . . . . . . . . . 36.7 t80 -59.08 -40.7 86.08 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 115.923 -0.58 . . . . 0.0 110.069 178.151 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 85' ' ' ALA . . . . . 0.426 ' HA ' HG22 ' A' ' 88' ' ' THR . . . -71.01 -26.68 63.22 Favored 'General case' 0 N--CA 1.453 -0.31 0 CA-C-N 115.575 -0.739 . . . . 0.0 110.864 178.259 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 86' ' ' ILE . . . . . 0.654 ' HA ' ' O ' ' A' ' 91' ' ' ALA . 73.4 mt -71.55 -41.65 72.23 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.38 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.365 176.243 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 87' ' ' VAL . . . . . 0.485 HG23 ' O ' ' A' ' 83' ' ' ARG . 66.1 t -61.51 -39.92 84.66 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 115.921 -0.581 . . . . 0.0 110.973 179.24 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 88' ' ' THR . . . . . 0.513 HG23 ' HG2' ' A' ' 90' ' ' ARG . 10.1 t -84.08 -5.94 59.32 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-O 120.88 0.371 . . . . 0.0 111.101 179.391 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . 86.08 14.83 66.06 Favored Glycine 0 CA--C 1.521 0.445 0 N-CA-C 114.955 0.742 . . . . 0.0 114.955 170.344 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 90' ' ' ARG . . . . . 0.654 HH21 HG23 ' A' ' 10' ' ' ILE . 16.2 ptt-85 -105.24 7.3 33.5 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 118.165 0.983 . . . . 0.0 110.741 178.177 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 91' ' ' ALA . . . . . 0.654 ' O ' ' HA ' ' A' ' 86' ' ' ILE . . . -146.06 146.8 31.07 Favored 'General case' 0 C--N 1.322 -0.627 0 N-CA-C 108.255 -1.017 . . . . 0.0 108.255 170.319 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 81.9 tttt -127.66 -6.84 5.69 Favored 'General case' 0 C--N 1.321 -0.639 0 C-N-CA 120.39 -0.524 . . . . 0.0 111.527 -179.288 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 93' ' ' TYR . . . . . . . . . . . . . 78.0 t80 -144.1 127.22 16.56 Favored 'General case' 0 C--N 1.322 -0.595 0 CA-C-O 120.857 0.36 . . . . 0.0 110.755 -179.62 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 94' ' ' ASN . . . . . 0.452 ' HB3' ' HB3' ' A' ' 82' ' ' PHE . 14.6 p-10 -114.12 117.96 42.87 Favored Pre-proline 0 C--N 1.32 -0.716 0 CA-C-N 115.745 -0.661 . . . . 0.0 109.504 174.23 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 95' ' ' PRO . . . . . 0.468 ' HD2' ' CD2' ' A' ' 82' ' ' PHE . 56.5 Cg_endo -70.8 43.8 0.47 Allowed 'Trans proline' 0 CA--C 1.529 0.253 0 C-N-CA 123.133 2.556 . . . . 0.0 112.404 179.717 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 96' ' ' ALA . . . . . 0.499 ' N ' ' HD2' ' A' ' 97' ' ' PRO . . . -67.64 -48.97 41.91 Favored Pre-proline 0 C--N 1.324 -0.514 0 CA-C-N 116.091 -0.504 . . . . 0.0 111.46 -179.653 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 97' ' ' PRO . . . . . 0.499 ' HD2' ' N ' ' A' ' 96' ' ' ALA . 25.8 Cg_endo -63.65 -33.77 65.59 Favored 'Trans proline' 0 C--N 1.358 1.029 0 C-N-CA 121.584 1.523 . . . . 0.0 111.283 174.115 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 5.1 m-20 -62.88 -45.14 93.96 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 115.652 -0.704 . . . . 0.0 110.294 177.767 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 99' ' ' LEU . . . . . . . . . . . . . 3.3 tm? -56.86 -39.8 74.98 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 115.666 -0.697 . . . . 0.0 110.228 177.649 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 100' ' ' ALA . . . . . . . . . . . . . . . -64.29 -44.76 90.66 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 115.869 -0.605 . . . . 0.0 111.144 -179.645 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 32.4 m-20 -73.19 -31.85 64.45 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.306 -0.406 . . . . 0.0 110.835 179.674 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -65.01 -50.34 66.65 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 116.387 -0.37 . . . . 0.0 110.683 177.13 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 103' ' ' MET . . . . . . . . . . . . . 45.6 ttm -57.94 -35.18 70.75 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-O 121.287 0.565 . . . . 0.0 110.709 177.807 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 104' ' ' LYS . . . . . . . . . . . . . 86.8 tttt -73.96 -49.97 22.12 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-N 115.717 -0.674 . . . . 0.0 111.2 179.838 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 105' ' ' GLY . . . . . . . . . . . . . . . -75.46 -30.17 58.79 Favored Glycine 0 N--CA 1.451 -0.329 0 CA-C-N 115.947 -0.57 . . . . 0.0 113.528 -174.288 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 106' ' ' TYR . . . . . . . . . . . . . 23.8 t80 -69.54 -31.68 70.04 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-O 120.982 0.42 . . . . 0.0 110.493 -177.793 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 107' ' ' ARG . . . . . . . . . . . . . 93.0 mtt180 -81.41 12.54 3.57 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.27 -0.423 . . . . 0.0 111.208 -179.553 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 108' ' ' LYS . . . . . . . . . . . . . 2.7 ttpm? -88.16 -5.55 58.36 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-O 121.632 0.729 . . . . 0.0 109.249 173.82 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 109' ' ' LYS . . . . . . . . . . . . . 65.8 mttp -99.08 157.2 16.51 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 115.452 -0.795 . . . . 0.0 109.831 173.071 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 110' ' ' ASN . . . . . . . . . . . . . 15.1 m120 -106.43 -1.68 22.93 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-O 121.339 0.59 . . . . 0.0 110.041 178.78 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 111' ' ' LEU . . . . . . . . . . . . . 28.9 tp -141.67 134.79 29.16 Favored 'General case' 0 C--N 1.322 -0.625 0 CA-C-N 115.531 -0.759 . . . . 0.0 109.276 179.216 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 112' ' ' GLU . . . . . . . . . . . . . 34.4 tt0 -53.37 -41.23 65.67 Favored 'General case' 0 N--CA 1.466 0.343 0 O-C-N 123.629 0.58 . . . . 0.0 111.486 -177.637 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 113' ' ' HIS . . . . . . . . . . . . . 86.1 m-70 -121.53 174.69 6.62 Favored 'General case' 0 C--N 1.326 -0.455 0 N-CA-C 109.376 -0.601 . . . . 0.0 109.376 179.176 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 114' ' ' HIS . . . . . . . . . . . . . 21.0 m-70 -80.82 -44.7 18.07 Favored 'General case' 0 C--N 1.323 -0.583 0 C-N-CA 120.878 -0.329 . . . . 0.0 110.167 -179.707 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 115' ' ' HIS . . . . . . . . . . . . . 69.5 m-70 65.67 16.69 10.61 Favored 'General case' 0 N--CA 1.467 0.42 0 CA-C-N 115.617 -0.72 . . . . 0.0 111.707 -179.052 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 116' ' ' HIS . . . . . . . . . . . . . 67.9 m-70 -112.89 116.18 29.61 Favored 'General case' 0 C--N 1.325 -0.49 0 N-CA-C 108.434 -0.95 . . . . 0.0 108.434 172.288 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 117' ' ' HIS . . . . . . . . . . . . . 68.5 m80 -118.32 95.4 4.86 Favored 'General case' 0 C--N 1.32 -0.705 0 CA-C-O 121.065 0.46 . . . . 0.0 111.869 -172.782 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 118' ' ' HIS . . . . . . . . . . . . . 76.6 t60 . . . . . 0 C--O 1.248 0.991 0 CA-C-N 115.508 -0.769 . . . . 0.0 109.558 175.759 . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 25.7 m . . . . . 0 N--CA 1.474 0.729 0 CA-C-O 121.07 0.462 . . . . 0.0 110.319 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 13.1 m -86.23 -36.1 19.62 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 116.01 -0.541 . . . . 0.0 110.48 -178.642 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 3' ' ' ASN . . . . . . . . . . . . . 84.9 m-20 -123.89 143.39 50.39 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 115.89 -0.595 . . . . 0.0 110.364 -179.401 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 4' ' ' ASN . . . . . . . . . . . . . 46.6 t-20 -128.48 137.55 51.85 Favored 'General case' 0 C--N 1.319 -0.736 0 N-CA-C 108.59 -0.892 . . . . 0.0 108.59 178.006 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 93.4 m-20 -85.54 18.79 2.62 Favored 'General case' 0 C--N 1.326 -0.444 0 N-CA-C 111.8 0.296 . . . . 0.0 111.8 -174.762 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . 0.438 ' HA ' ' HA ' ' A' ' 46' ' ' GLU . 67.2 p -64.84 141.34 58.81 Favored 'General case' 0 C--N 1.327 -0.406 0 N-CA-C 109.794 -0.447 . . . . 0.0 109.794 176.413 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 7' ' ' PHE . . . . . 0.493 ' O ' ' HB3' ' A' ' 11' ' ' TYR . 35.0 t80 -60.13 -32.99 71.53 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.424 -177.946 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 8' ' ' SER . . . . . 0.512 ' O ' ' HD1' ' A' ' 11' ' ' TYR . 13.4 p -56.02 -46.74 78.69 Favored 'General case' 0 C--O 1.237 0.435 0 CA-C-O 121.493 0.663 . . . . 0.0 110.963 176.359 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -60.36 -53.05 62.19 Favored 'General case' 0 C--N 1.323 -0.548 0 CA-C-N 115.529 -0.76 . . . . 0.0 110.463 -179.564 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 10' ' ' ILE . . . . . 0.76 HG12 HH11 ' A' ' 90' ' ' ARG . 25.2 mt -70.61 -33.03 51.52 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.581 0 CA-C-N 115.544 -0.753 . . . . 0.0 111.605 -174.512 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 11' ' ' TYR . . . . . 0.512 ' HD1' ' O ' ' A' ' 8' ' ' SER . 0.0 OUTLIER -62.59 -38.58 90.71 Favored 'General case' 0 C--N 1.332 -0.179 0 C-N-CA 121.219 -0.193 . . . . 0.0 110.652 -179.369 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 47.5 tttm -77.48 -39.93 44.73 Favored 'General case' 0 C--N 1.33 -0.241 0 C-N-CA 120.246 -0.582 . . . . 0.0 110.907 179.484 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 44.6 mt-10 -61.96 -42.8 99.53 Favored 'General case' 0 C--O 1.234 0.284 0 CA-C-O 120.807 0.337 . . . . 0.0 110.375 177.539 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 14' ' ' TRP . . . . . . . . . . . . . 52.1 t90 -61.81 -50.69 71.31 Favored 'General case' 0 C--O 1.236 0.365 0 CA-C-N 115.92 -0.582 . . . . 0.0 110.657 176.163 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 15' ' ' TYR . . . . . 0.497 ' O ' ' HB2' ' A' ' 19' ' ' LYS . 26.4 t80 -56.25 -56.79 16.72 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.062 -0.517 . . . . 0.0 111.299 -179.593 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 41.8 mt-10 -68.1 -15.81 63.75 Favored 'General case' 0 C--N 1.328 -0.346 0 N-CA-C 111.782 0.29 . . . . 0.0 111.782 -174.959 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 17' ' ' HIS . . . . . . . . . . . . . 35.3 t60 -77.85 -60.29 2.43 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-O 120.927 0.394 . . . . 0.0 110.183 174.133 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 70.7 tttt -78.27 -0.33 28.3 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 121.498 0.666 . . . . 0.0 110.31 -175.374 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 19' ' ' LYS . . . . . 0.497 ' HB2' ' O ' ' A' ' 15' ' ' TYR . 81.3 tttt -61.03 -24.87 66.51 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 115.044 -0.98 . . . . 0.0 110.226 174.302 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 85.0 mm-40 -75.57 -10.47 59.47 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 115.675 -0.693 . . . . 0.0 111.09 179.503 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 61.5 t -97.9 -50.23 11.32 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.397 0 CA-C-N 116.372 -0.376 . . . . 0.0 111.174 -176.737 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 22' ' ' TRP . . . . . . . . . . . . . 11.1 m0 -84.33 155.32 22.42 Favored 'General case' 0 C--N 1.323 -0.558 0 CA-C-N 116.398 -0.365 . . . . 0.0 110.908 -177.377 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 26.3 m -63.31 139.38 58.76 Favored 'General case' 0 C--N 1.327 -0.391 0 N-CA-C 109.507 -0.553 . . . . 0.0 109.507 173.736 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 13.4 p -49.85 -37.99 13.34 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.398 0 N-CA-C 112.204 0.446 . . . . 0.0 112.204 -175.468 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -62.45 -56.74 19.93 Favored Glycine 0 N--CA 1.45 -0.412 0 C-N-CA 120.777 -0.725 . . . . 0.0 112.193 179.153 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 26' ' ' TYR . . . . . . . . . . . . . 77.6 t80 -65.23 -37.67 87.99 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.487 0.184 . . . . 0.0 110.724 -179.309 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -59.92 -47.42 85.83 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.344 -0.389 . . . . 0.0 110.841 179.801 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 23.6 m -67.96 -41.64 82.14 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.328 -0.397 . . . . 0.0 111.182 -178.952 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 44.7 mt-10 -67.73 -36.35 80.42 Favored 'General case' 0 C--O 1.235 0.291 0 CA-C-O 120.727 0.299 . . . . 0.0 110.907 178.764 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 9.3 tt -62.48 -44.08 97.26 Favored 'General case' 0 C--O 1.234 0.279 0 N-CA-C 109.648 -0.501 . . . . 0.0 109.648 174.949 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -64.88 -39.36 93.41 Favored 'General case' 0 N--CA 1.453 -0.324 0 CA-C-N 115.654 -0.703 . . . . 0.0 110.604 177.926 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 65.3 tttm -60.02 -50.07 75.17 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.505 -0.316 . . . . 0.0 110.937 179.367 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 33' ' ' MET . . . . . . . . . . . . . 59.3 ttp -61.58 -41.01 96.8 Favored 'General case' 0 C--O 1.234 0.276 0 CA-C-O 121.346 0.593 . . . . 0.0 110.257 178.475 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 34' ' ' PHE . . . . . 0.531 ' O ' ' HB ' ' A' ' 38' ' ' ILE . 35.3 t80 -64.4 -49.27 72.23 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 115.459 -0.791 . . . . 0.0 110.38 -179.799 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 35' ' ' ASP . . . . . 0.54 ' HA ' ' HB2' ' A' ' 39' ' ' LEU . 10.9 t70 -71.64 -49.34 40.97 Favored 'General case' 0 C--N 1.32 -0.683 0 CA-C-N 116.426 -0.352 . . . . 0.0 111.595 -177.002 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 32.6 t70 -61.82 -36.7 81.93 Favored 'General case' 0 C--N 1.32 -0.688 0 N-CA-C 111.949 0.351 . . . . 0.0 111.949 -172.602 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 4.3 m-20 -100.8 -48.04 4.61 Favored 'General case' 0 C--N 1.329 -0.297 0 N-CA-C 112.576 0.584 . . . . 0.0 112.576 -178.684 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 38' ' ' ILE . . . . . 0.576 HG12 HG13 ' A' ' 58' ' ' VAL . 19.5 mt -80.21 -34.56 15.0 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.401 0 N-CA-C 112.085 0.402 . . . . 0.0 112.085 -170.609 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 39' ' ' LEU . . . . . 0.54 ' HB2' ' HA ' ' A' ' 35' ' ' ASP . 0.4 OUTLIER -63.06 -47.9 85.21 Favored Pre-proline 0 CA--C 1.544 0.712 0 CA-C-O 119.598 -0.239 . . . . 0.0 111.62 -175.56 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 40' ' ' PRO . . . . . 0.528 ' HD3' ' O ' ' A' ' 35' ' ' ASP . 27.7 Cg_exo -64.46 -11.41 28.3 Favored 'Trans proline' 0 C--N 1.355 0.879 0 C-N-CA 121.802 1.668 . . . . 0.0 113.032 177.768 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 41' ' ' ILE . . . . . 0.667 HG22 HG23 ' A' ' 42' ' ' ILE . 48.2 mm -91.78 -57.32 4.38 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.245 0 CA-C-O 120.532 0.206 . . . . 0.0 111.002 -179.254 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 42' ' ' ILE . . . . . 0.667 HG23 HG22 ' A' ' 41' ' ' ILE . 13.5 pt -129.3 5.24 2.6 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.199 0 N-CA-C 112.38 0.511 . . . . 0.0 112.38 -175.419 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 43' ' ' GLY . . . . . 0.496 ' HA3' HD22 ' A' ' 39' ' ' LEU . . . -60.46 -37.73 93.71 Favored Glycine 0 N--CA 1.451 -0.349 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.802 -174.993 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -86.3 5.07 85.32 Favored Glycine 0 N--CA 1.444 -0.787 0 C-N-CA 120.538 -0.839 . . . . 0.0 112.832 -179.746 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 91.0 mt -96.26 146.56 24.61 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 117.142 0.471 . . . . 0.0 110.621 -177.917 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 46' ' ' GLU . . . . . 0.631 ' O ' HG13 ' A' ' 50' ' ' ILE . 41.7 mt-10 -67.5 138.69 56.76 Favored 'General case' 0 C--N 1.327 -0.409 0 N-CA-C 109.228 -0.656 . . . . 0.0 109.228 175.512 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 47' ' ' ILE . . . . . 0.426 HD13 ' HB2' ' A' ' 85' ' ' ALA . 15.5 tt -64.39 -19.15 24.44 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.63 0 CA-C-O 120.98 0.419 . . . . 0.0 111.356 -176.366 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 61.5 mt-30 -89.42 -10.98 44.46 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-O 120.998 0.428 . . . . 0.0 110.353 176.905 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 3.6 t70 -122.38 14.84 10.43 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 116.047 -0.524 . . . . 0.0 110.93 -168.177 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 50' ' ' ILE . . . . . 0.631 HG13 ' O ' ' A' ' 46' ' ' GLU . 85.0 mt -82.79 125.44 39.98 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.417 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.925 -179.139 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 51' ' ' GLU . . . . . 1.002 ' HB2' ' HB2' ' A' ' 54' ' ' GLN . 12.6 mm-40 -66.28 132.69 94.43 Favored Pre-proline 0 C--N 1.323 -0.582 0 CA-C-N 115.362 -0.835 . . . . 0.0 109.969 177.491 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 52' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_exo -54.84 -39.4 90.23 Favored 'Trans proline' 0 N--CA 1.464 -0.252 0 C-N-CA 122.323 2.015 . . . . 0.0 111.649 171.683 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 53' ' ' MET . . . . . . . . . . . . . 68.3 mtm -73.53 -22.34 60.13 Favored 'General case' 0 C--O 1.226 -0.15 0 CA-C-O 120.681 0.277 . . . . 0.0 110.979 176.288 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 54' ' ' GLN . . . . . 1.002 ' HB2' ' HB2' ' A' ' 51' ' ' GLU . 32.7 tp60 -76.19 -40.98 51.01 Favored 'General case' 0 C--N 1.326 -0.449 0 N-CA-C 108.844 -0.799 . . . . 0.0 108.844 176.699 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 55' ' ' LEU . . . . . 0.436 ' O ' ' HB ' ' A' ' 58' ' ' VAL . 34.4 tp -65.78 -33.49 75.98 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-N 115.301 -0.863 . . . . 0.0 108.977 172.733 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 56' ' ' LEU . . . . . 0.472 HD13 ' O ' ' A' ' 56' ' ' LEU . 3.1 tm? -64.82 -34.73 79.06 Favored 'General case' 0 C--O 1.215 -0.735 0 CA-C-N 115.7 -0.682 . . . . 0.0 109.441 173.821 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 28.6 tt0 -62.23 -31.9 72.51 Favored 'General case' 0 C--N 1.33 -0.274 0 N-CA-C 110.277 -0.268 . . . . 0.0 110.277 177.996 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 58' ' ' VAL . . . . . 0.588 ' O ' ' HB3' ' A' ' 61' ' ' ARG . 71.4 t -60.47 -55.34 25.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-O 121.336 0.589 . . . . 0.0 110.49 171.008 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 59' ' ' ILE . . . . . 0.548 HG23 ' HB1' ' A' ' 71' ' ' ALA . 1.8 mp -59.24 -42.31 86.62 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.441 0 CA-C-N 115.684 -0.689 . . . . 0.0 110.407 178.373 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 60' ' ' ARG . . . . . 0.407 ' HB2' HD13 ' A' ' 56' ' ' LEU . 48.2 ttp85 -68.26 -29.46 68.26 Favored 'General case' 0 C--N 1.323 -0.569 0 CA-C-N 115.211 -0.904 . . . . 0.0 110.578 -179.073 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 61' ' ' ARG . . . . . 0.588 ' HB3' ' O ' ' A' ' 58' ' ' VAL . 25.0 tpt180 -58.21 -40.18 80.91 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 115.999 -0.546 . . . . 0.0 109.846 171.583 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 62' ' ' PHE . . . . . 0.505 ' HA ' ' HD3' ' A' ' 65' ' ' ARG . 92.2 m-85 -77.81 -24.33 48.8 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-N 115.977 -0.556 . . . . 0.0 111.205 176.82 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 39.9 mt-10 -65.1 -41.51 94.88 Favored 'General case' 0 N--CA 1.464 0.24 0 CA-C-O 120.615 0.245 . . . . 0.0 110.685 175.321 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 28.6 m-20 -58.05 -28.53 64.6 Favored 'General case' 0 N--CA 1.466 0.334 0 CA-C-O 121.102 0.477 . . . . 0.0 110.449 176.433 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 65' ' ' ARG . . . . . 0.505 ' HD3' ' HA ' ' A' ' 62' ' ' PHE . 24.8 mtp180 -83.85 -35.18 24.38 Favored 'General case' 0 C--N 1.323 -0.551 0 CA-C-N 115.348 -0.842 . . . . 0.0 110.92 179.689 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 99.79 3.76 55.94 Favored Glycine 0 N--CA 1.448 -0.527 0 N-CA-C 111.234 -0.746 . . . . 0.0 111.234 -176.491 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -83.25 87.91 6.94 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-N 115.437 -0.382 . . . . 0.0 110.464 -179.717 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 68' ' ' MET . . . . . 0.505 ' HA ' ' CE ' ' A' ' 68' ' ' MET . 0.0 OUTLIER -69.78 -42.81 73.29 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-N 116.3 -0.409 . . . . 0.0 110.393 -177.121 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 30.3 mt-10 -54.3 -55.3 29.69 Favored 'General case' 0 CA--C 1.516 -0.331 0 CA-C-N 115.941 -0.572 . . . . 0.0 111.093 175.823 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 70' ' ' ARG . . . . . 0.548 ' HA ' ' HB2' ' A' ' 73' ' ' LYS . 82.3 mtt180 -74.55 -12.47 60.48 Favored 'General case' 0 C--N 1.321 -0.641 0 CA-C-N 115.487 -0.778 . . . . 0.0 111.339 -170.963 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 71' ' ' ALA . . . . . 0.548 ' HB1' HG23 ' A' ' 59' ' ' ILE . . . -74.89 -48.4 25.0 Favored 'General case' 0 C--N 1.327 -0.404 0 N-CA-C 109.501 -0.555 . . . . 0.0 109.501 171.281 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 72' ' ' ASN . . . . . . . . . . . . . 94.0 m-20 -69.64 -35.47 75.25 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 115.98 -0.555 . . . . 0.0 110.483 177.077 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 73' ' ' LYS . . . . . 0.548 ' HB2' ' HA ' ' A' ' 70' ' ' ARG . 97.6 mttt -68.26 -25.38 65.15 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.656 176.569 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 74' ' ' ALA . . . . . 0.403 ' HA ' HH21 ' A' ' 77' ' ' ARG . . . -67.37 -54.86 16.83 Favored 'General case' 0 C--N 1.329 -0.32 0 N-CA-C 109.436 -0.579 . . . . 0.0 109.436 172.577 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 75' ' ' ARG . . . . . 0.428 HH11 ' HD3' ' A' ' 75' ' ' ARG . 30.1 ttt180 -53.76 -43.58 69.3 Favored 'General case' 0 C--N 1.332 -0.175 0 CA-C-N 115.596 -0.729 . . . . 0.0 111.083 177.079 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 28.7 ttm180 -60.46 -48.71 80.59 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.137 -178.486 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 77' ' ' ARG . . . . . 0.5 ' O ' HG23 ' A' ' 81' ' ' VAL . 87.9 mtm180 -64.14 -46.4 84.28 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.766 -179.263 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 78' ' ' CYS . . . . . . . . . . . . . 77.4 m -62.24 -35.44 78.94 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.379 -0.373 . . . . 0.0 110.569 178.219 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . -61.59 -39.46 97.39 Favored Glycine 0 N--CA 1.452 -0.254 0 C-N-CA 121.3 -0.476 . . . . 0.0 112.244 177.432 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 42.8 tt0 -70.53 -36.08 73.52 Favored 'General case' 0 C--N 1.328 -0.363 0 N-CA-C 109.889 -0.412 . . . . 0.0 109.889 176.898 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 81' ' ' VAL . . . . . 0.5 HG23 ' O ' ' A' ' 77' ' ' ARG . 97.1 t -60.56 -43.37 94.4 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.201 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.218 174.223 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 82' ' ' PHE . . . . . 0.451 ' O ' HG13 ' A' ' 86' ' ' ILE . 22.4 m-85 -60.51 -45.67 92.96 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 115.971 -0.558 . . . . 0.0 110.36 175.814 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 83' ' ' ARG . . . . . 0.484 ' O ' HG23 ' A' ' 87' ' ' VAL . 34.5 ttm180 -61.6 -41.25 97.17 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.465 178.543 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 84' ' ' TYR . . . . . . . . . . . . . 10.5 t80 -55.27 -40.54 71.13 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 115.796 -0.638 . . . . 0.0 109.707 177.218 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 85' ' ' ALA . . . . . 0.426 ' HB2' HD13 ' A' ' 47' ' ' ILE . . . -71.07 -37.75 72.46 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 115.476 -0.784 . . . . 0.0 111.221 177.899 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 86' ' ' ILE . . . . . 0.451 HG13 ' O ' ' A' ' 82' ' ' PHE . 85.9 mt -61.84 -43.77 97.85 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 CA-C-O 121.036 0.446 . . . . 0.0 110.611 177.745 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 87' ' ' VAL . . . . . 0.484 HG23 ' O ' ' A' ' 83' ' ' ARG . 55.7 t -66.37 -38.65 82.26 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.046 -0.525 . . . . 0.0 111.075 179.348 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 88' ' ' THR . . . . . . . . . . . . . 19.8 p -79.94 -11.4 59.8 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 116.275 -0.421 . . . . 0.0 111.392 -178.802 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . 87.88 13.51 64.46 Favored Glycine 0 N--CA 1.453 -0.204 0 C-N-CA 120.898 -0.667 . . . . 0.0 112.499 179.243 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 90' ' ' ARG . . . . . 0.76 HH11 HG12 ' A' ' 10' ' ' ILE . 99.3 mtt180 -86.91 -16.09 37.01 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-O 120.694 0.283 . . . . 0.0 110.968 -179.487 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . -143.0 159.61 41.91 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-O 120.769 0.319 . . . . 0.0 110.962 -179.61 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 67.1 mttm -119.05 -38.9 2.99 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 116.071 -0.513 . . . . 0.0 110.45 179.261 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 93' ' ' TYR . . . . . . . . . . . . . 85.7 t80 -128.01 137.77 52.34 Favored 'General case' 0 C--N 1.323 -0.579 0 CA-C-N 115.955 -0.566 . . . . 0.0 109.729 178.861 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 94' ' ' ASN . . . . . 0.439 ' C ' ' H ' ' A' ' 96' ' ' ALA . 19.6 p-10 -100.41 125.26 39.92 Favored Pre-proline 0 C--N 1.319 -0.75 0 N-CA-C 109.462 -0.57 . . . . 0.0 109.462 175.449 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 95' ' ' PRO . . . . . 0.42 ' HD3' ' HA ' ' A' ' 94' ' ' ASN . 16.8 Cg_exo -69.11 26.59 0.16 Allowed 'Trans proline' 0 CA--C 1.531 0.372 0 C-N-CA 123.245 2.63 . . . . 0.0 113.19 -177.621 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 96' ' ' ALA . . . . . 0.577 ' HB3' ' HD3' ' A' ' 97' ' ' PRO . . . -70.53 -49.26 16.21 Favored Pre-proline 0 C--N 1.326 -0.44 0 N-CA-C 112.043 0.386 . . . . 0.0 112.043 -178.617 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 97' ' ' PRO . . . . . 0.577 ' HD3' ' HB3' ' A' ' 96' ' ' ALA . 34.0 Cg_exo -60.26 -44.89 25.64 Favored 'Trans proline' 0 C--N 1.355 0.897 0 C-N-CA 121.937 1.758 . . . . 0.0 112.359 176.857 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 26.7 t70 -71.71 -21.54 61.76 Favored 'General case' 0 C--N 1.332 -0.193 0 CA-C-O 120.944 0.402 . . . . 0.0 110.617 -179.498 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 99' ' ' LEU . . . . . . . . . . . . . 3.3 tm? -62.77 -38.2 89.66 Favored 'General case' 0 C--N 1.33 -0.278 0 N-CA-C 109.175 -0.676 . . . . 0.0 109.175 172.963 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 100' ' ' ALA . . . . . . . . . . . . . . . -68.12 -38.19 81.96 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 115.885 -0.598 . . . . 0.0 110.157 177.644 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 4.7 m-20 -65.76 -37.5 86.51 Favored 'General case' 0 CA--C 1.519 -0.244 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.597 175.574 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 102' ' ' ALA . . . . . 0.425 ' O ' ' HB3' ' A' ' 106' ' ' TYR . . . -66.24 -45.87 79.14 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 116.291 -0.413 . . . . 0.0 110.344 176.2 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 103' ' ' MET . . . . . . . . . . . . . 53.9 ttm -60.11 -23.94 64.25 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-O 121.213 0.53 . . . . 0.0 110.985 177.936 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 104' ' ' LYS . . . . . . . . . . . . . 63.5 tttp -90.32 -56.74 3.09 Favored 'General case' 0 C--N 1.323 -0.583 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.981 179.501 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 105' ' ' GLY . . . . . . . . . . . . . . . -79.61 -36.57 25.82 Favored Glycine 0 CA--C 1.518 0.233 0 CA-C-N 115.778 -0.646 . . . . 0.0 113.794 -173.118 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 106' ' ' TYR . . . . . 0.425 ' HB3' ' O ' ' A' ' 102' ' ' ALA . 85.3 t80 -75.7 -30.4 59.32 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 117.22 0.51 . . . . 0.0 110.536 -178.281 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 107' ' ' ARG . . . . . . . . . . . . . 27.8 mtm180 -79.81 -0.08 33.06 Favored 'General case' 0 C--N 1.33 -0.262 0 C-N-CA 120.537 -0.465 . . . . 0.0 110.704 178.074 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 108' ' ' LYS . . . . . . . . . . . . . 28.6 ttpp -75.55 -6.86 52.4 Favored 'General case' 0 C--N 1.332 -0.172 0 CA-C-O 121.95 0.881 . . . . 0.0 109.019 172.338 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 109' ' ' LYS . . . . . . . . . . . . . 48.8 tttp -73.46 -21.58 60.4 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 114.646 -1.161 . . . . 0.0 109.415 173.552 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 110' ' ' ASN . . . . . . . . . . . . . 52.0 t-20 -110.72 100.5 9.25 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 115.34 -0.845 . . . . 0.0 109.366 179.725 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 111' ' ' LEU . . . . . . . . . . . . . 98.2 mt -91.86 163.96 13.85 Favored 'General case' 0 C--N 1.323 -0.578 0 CA-C-N 116.09 -0.505 . . . . 0.0 110.753 -177.889 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 112' ' ' GLU . . . . . . . . . . . . . 40.3 mt-10 -71.94 169.6 15.53 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 116.09 -0.505 . . . . 0.0 110.502 179.032 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 113' ' ' HIS . . . . . . . . . . . . . 85.8 m-70 -86.64 -65.09 1.05 Allowed 'General case' 0 C--N 1.323 -0.557 0 N-CA-C 109.53 -0.544 . . . . 0.0 109.53 -178.142 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 114' ' ' HIS . . . . . . . . . . . . . 26.3 m170 -93.94 116.07 28.49 Favored 'General case' 0 C--N 1.324 -0.504 0 N-CA-C 108.74 -0.837 . . . . 0.0 108.74 169.966 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 115' ' ' HIS . . . . . . . . . . . . . 56.4 t60 -65.44 -33.62 76.38 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-O 120.997 0.427 . . . . 0.0 110.385 -176.507 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 116' ' ' HIS . . . . . . . . . . . . . 2.4 t-80 -91.73 135.39 33.93 Favored 'General case' 0 C--N 1.321 -0.645 0 N-CA-C 108.688 -0.856 . . . . 0.0 108.688 175.774 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 117' ' ' HIS . . . . . . . . . . . . . 67.8 m80 -92.33 102.03 14.51 Favored 'General case' 0 C--N 1.321 -0.637 0 CA-C-O 121.386 0.612 . . . . 0.0 111.76 -171.978 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 118' ' ' HIS . . . . . . . . . . . . . 64.0 t60 . . . . . 0 C--O 1.247 0.943 0 CA-C-N 115.058 -0.973 . . . . 0.0 109.1 175.226 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 12.2 p . . . . . 0 N--CA 1.475 0.8 0 CA-C-O 120.6 0.238 . . . . 0.0 111.405 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 48.2 m -79.78 -21.79 43.95 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-O 120.796 0.331 . . . . 0.0 111.076 -178.968 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 3' ' ' ASN . . . . . . . . . . . . . 27.1 t30 -98.76 98.53 9.63 Favored 'General case' 0 C--N 1.326 -0.418 0 N-CA-C 109.19 -0.671 . . . . 0.0 109.19 173.814 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 4' ' ' ASN . . . . . . . . . . . . . 32.4 t30 -101.57 126.71 48.43 Favored 'General case' 0 C--N 1.321 -0.647 0 CA-C-N 115.893 -0.594 . . . . 0.0 110.265 -178.25 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 14.1 m120 -91.34 23.08 3.53 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.116 -0.493 . . . . 0.0 111.68 -174.769 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . 0.588 ' HA ' ' HA ' ' A' ' 46' ' ' GLU . 74.3 m -64.65 149.83 48.24 Favored 'General case' 0 C--O 1.236 0.377 0 CA-C-O 120.849 0.357 . . . . 0.0 110.594 176.454 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 7' ' ' PHE . . . . . . . . . . . . . 31.9 t80 -58.32 -39.77 80.28 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 115.684 -0.689 . . . . 0.0 110.656 -177.702 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 16.9 p -59.85 -41.75 92.12 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.351 -0.386 . . . . 0.0 111.632 179.796 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -61.96 -48.81 78.73 Favored 'General case' 0 C--O 1.236 0.392 0 CA-C-O 120.986 0.422 . . . . 0.0 110.795 -178.854 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 64.8 mt -68.41 -39.23 80.5 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 115.942 -0.572 . . . . 0.0 110.187 178.468 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 7.0 t80 -56.83 -46.57 81.61 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 115.842 -0.617 . . . . 0.0 111.416 177.032 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 81.2 tttt -63.4 -41.8 98.77 Favored 'General case' 0 C--N 1.329 -0.325 0 C-N-CA 120.659 -0.416 . . . . 0.0 110.673 -178.14 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 37.1 tt0 -65.63 -45.17 84.05 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 121.154 0.502 . . . . 0.0 110.147 178.181 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 14' ' ' TRP . . . . . . . . . . . . . 68.8 t90 -58.96 -46.93 86.84 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 115.491 -0.777 . . . . 0.0 110.417 177.092 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 15' ' ' TYR . . . . . 0.448 ' CE1' ' HB2' ' A' ' 31' ' ' ALA . 24.7 t80 -61.13 -49.11 78.58 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.038 -0.528 . . . . 0.0 111.222 177.727 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 38.6 tt0 -61.4 -30.5 70.59 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-O 121.283 0.563 . . . . 0.0 110.484 -178.77 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 17' ' ' HIS . . . . . 0.647 ' O ' ' HG2' ' A' ' 20' ' ' GLN . 72.9 t60 -78.37 -50.97 10.79 Favored 'General case' 0 C--N 1.323 -0.562 0 CA-C-N 115.778 -0.646 . . . . 0.0 110.296 178.312 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 32.6 mmtm -67.67 -14.39 62.91 Favored 'General case' 0 N--CA 1.467 0.376 0 CA-C-N 116.335 -0.393 . . . . 0.0 111.54 179.684 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 80.4 tttt -57.23 -29.06 63.46 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 115.82 -0.627 . . . . 0.0 111.24 179.287 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 20' ' ' GLN . . . . . 0.647 ' HG2' ' O ' ' A' ' 17' ' ' HIS . 13.4 pt20 -87.29 -5.35 58.95 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.381 -0.372 . . . . 0.0 110.988 -177.66 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 71.5 t -93.3 -49.59 12.73 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.401 0 CA-C-O 121.223 0.535 . . . . 0.0 110.295 179.784 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 22' ' ' TRP . . . . . . . . . . . . . 9.3 m0 -88.17 170.63 10.87 Favored 'General case' 0 C--N 1.32 -0.702 0 CA-C-N 115.608 -0.724 . . . . 0.0 110.382 -179.066 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 7.7 m -79.52 146.53 32.61 Favored 'General case' 0 C--N 1.321 -0.66 0 N-CA-C 109.375 -0.602 . . . . 0.0 109.375 175.067 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 14.4 p -52.66 -39.18 29.3 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.463 0 N-CA-C 112.482 0.549 . . . . 0.0 112.482 -173.668 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -64.61 -53.51 34.73 Favored Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.711 -0.756 . . . . 0.0 111.842 179.302 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 26' ' ' TYR . . . . . . . . . . . . . 73.4 t80 -58.83 -42.86 90.25 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.874 0.369 . . . . 0.0 110.693 178.287 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -61.82 -40.96 97.1 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.023 -0.535 . . . . 0.0 111.149 -179.658 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 62.3 m -66.48 -45.58 79.19 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.463 -0.335 . . . . 0.0 111.002 178.985 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 28.6 mm-40 -60.28 -46.98 87.93 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-O 120.845 0.355 . . . . 0.0 111.144 177.584 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 10.2 tt -60.14 -47.46 85.84 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.012 -0.54 . . . . 0.0 110.297 179.399 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 31' ' ' ALA . . . . . 0.448 ' HB2' ' CE1' ' A' ' 15' ' ' TYR . . . -63.83 -42.57 97.6 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 116.037 -0.529 . . . . 0.0 111.301 -179.235 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 17.8 ttpp -66.44 -45.79 78.63 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-O 120.747 0.308 . . . . 0.0 110.352 -178.233 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 33' ' ' MET . . . . . 0.559 ' SD ' ' HD3' ' A' ' 70' ' ' ARG . 50.7 ttp -59.21 -49.75 76.64 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.059 -0.519 . . . . 0.0 110.543 177.323 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 34' ' ' PHE . . . . . 0.644 ' O ' ' HB ' ' A' ' 38' ' ' ILE . 22.2 t80 -61.84 -38.02 86.66 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 115.506 -0.77 . . . . 0.0 110.051 -179.188 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 35' ' ' ASP . . . . . 0.762 ' HA ' HD23 ' A' ' 39' ' ' LEU . 13.2 t70 -65.99 -53.82 34.01 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 115.939 -0.573 . . . . 0.0 110.768 178.931 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 58.5 m-20 -55.92 -36.26 67.52 Favored 'General case' 0 N--CA 1.468 0.441 0 CA-C-N 115.871 -0.604 . . . . 0.0 112.578 -174.333 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 37' ' ' ASP . . . . . 0.448 ' O ' HG12 ' A' ' 41' ' ' ILE . 21.1 m-20 -103.2 -50.95 3.35 Favored 'General case' 0 C--N 1.324 -0.521 0 N-CA-C 112.766 0.654 . . . . 0.0 112.766 -175.841 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 38' ' ' ILE . . . . . 0.644 ' HB ' ' O ' ' A' ' 34' ' ' PHE . 2.0 mp -68.89 -41.26 81.97 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.426 0 N-CA-C 112.021 0.378 . . . . 0.0 112.021 -172.913 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 39' ' ' LEU . . . . . 0.762 HD23 ' HA ' ' A' ' 35' ' ' ASP . 3.1 mm? -60.05 -51.13 82.67 Favored Pre-proline 0 CA--C 1.535 0.371 0 N-CA-C 112.716 0.636 . . . . 0.0 112.716 -174.508 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 33.4 Cg_exo -61.03 -18.77 59.82 Favored 'Trans proline' 0 C--N 1.351 0.661 0 C-N-CA 122.065 1.844 . . . . 0.0 113.187 177.389 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 41' ' ' ILE . . . . . 0.503 HG22 HG23 ' A' ' 42' ' ' ILE . 43.0 mm -97.13 -64.67 1.33 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-O 120.614 0.245 . . . . 0.0 111.396 -176.592 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 42' ' ' ILE . . . . . 0.503 HG23 HG22 ' A' ' 41' ' ' ILE . 10.9 pt -121.46 3.81 6.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 N-CA-C 111.857 0.317 . . . . 0.0 111.857 -175.908 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 43' ' ' GLY . . . . . 0.54 ' HA3' ' HA ' ' A' ' 39' ' ' LEU . . . -56.92 -42.24 92.32 Favored Glycine 0 CA--C 1.512 -0.108 0 C-N-CA 120.847 -0.692 . . . . 0.0 112.673 -175.94 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -88.65 8.92 77.95 Favored Glycine 0 N--CA 1.447 -0.582 0 C-N-CA 120.766 -0.73 . . . . 0.0 112.832 -178.514 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 96.0 mt -95.59 141.36 29.19 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 116.961 0.38 . . . . 0.0 110.149 179.531 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 46' ' ' GLU . . . . . 0.588 ' HA ' ' HA ' ' A' ' 6' ' ' SER . 45.9 mt-10 -71.28 136.75 48.08 Favored 'General case' 0 C--N 1.32 -0.683 0 N-CA-C 109.542 -0.54 . . . . 0.0 109.542 175.778 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 14.6 tt -60.9 -23.06 28.32 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.573 0 CA-C-N 115.966 -0.561 . . . . 0.0 112.148 -170.098 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 68.7 mt-30 -90.77 -5.74 55.27 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.757 -0.201 . . . . 0.0 111.229 178.912 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 21.4 t70 -122.31 6.53 9.64 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-O 120.892 0.377 . . . . 0.0 111.384 -172.76 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 50' ' ' ILE . . . . . 0.487 HG13 ' O ' ' A' ' 46' ' ' GLU . 74.1 mt -71.83 127.11 33.44 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 CA-C-O 121.008 0.432 . . . . 0.0 110.516 179.388 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 51' ' ' GLU . . . . . 0.403 ' HA ' ' HD3' ' A' ' 52' ' ' PRO . 1.5 pm0 -84.14 144.76 44.68 Favored Pre-proline 0 C--N 1.32 -0.682 0 CA-C-N 115.769 -0.65 . . . . 0.0 110.989 -178.975 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 52' ' ' PRO . . . . . 0.476 ' HB3' ' HB3' ' A' ' 98' ' ' ASP . 68.5 Cg_exo -51.86 -46.68 30.64 Favored 'Trans proline' 0 C--O 1.233 0.233 0 C-N-CA 123.486 2.79 . . . . 0.0 113.378 -178.96 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 53' ' ' MET . . . . . . . . . . . . . 89.7 mtp -69.25 -21.92 63.87 Favored 'General case' 0 C--N 1.328 -0.364 0 N-CA-C 111.842 0.312 . . . . 0.0 111.842 -174.966 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 7.3 tp60 -82.45 -31.94 29.21 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-O 121.365 0.602 . . . . 0.0 109.68 177.466 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 29.1 tp -69.87 -39.73 76.16 Favored 'General case' 0 C--N 1.324 -0.51 0 N-CA-C 109.27 -0.641 . . . . 0.0 109.27 175.323 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 2.6 tm? -64.56 -29.64 70.66 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 115.763 -0.653 . . . . 0.0 109.414 173.664 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 57' ' ' GLU . . . . . 0.422 ' CD ' HH21 ' A' ' 60' ' ' ARG . 6.0 tp10 -63.19 -34.93 78.7 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.182 177.663 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 58' ' ' VAL . . . . . 0.482 HG11 HG13 ' A' ' 38' ' ' ILE . 76.7 t -61.82 -54.47 34.25 Favored 'Isoleucine or valine' 0 C--O 1.233 0.184 0 CA-C-O 120.962 0.41 . . . . 0.0 110.406 173.481 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 59' ' ' ILE . . . . . . . . . . . . . 1.8 mp -55.32 -44.08 73.92 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.272 0 CA-C-N 115.998 -0.546 . . . . 0.0 110.387 177.906 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 60' ' ' ARG . . . . . 0.422 HH21 ' CD ' ' A' ' 57' ' ' GLU . 24.9 ttp180 -70.77 -23.56 62.42 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 115.712 -0.676 . . . . 0.0 111.142 -178.151 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 15.5 tpt180 -64.74 -40.5 95.42 Favored 'General case' 0 C--N 1.33 -0.259 0 N-CA-C 109.663 -0.495 . . . . 0.0 109.663 175.215 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 62' ' ' PHE . . . . . . . . . . . . . 79.4 m-85 -72.97 -30.03 63.52 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 115.975 -0.557 . . . . 0.0 111.023 176.309 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 34.8 tt0 -64.04 -39.42 94.06 Favored 'General case' 0 C--N 1.331 -0.206 0 N-CA-C 109.897 -0.409 . . . . 0.0 109.897 176.123 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 12.7 t70 -57.28 -37.35 72.25 Favored 'General case' 0 N--CA 1.463 0.19 0 CA-C-N 115.743 -0.662 . . . . 0.0 110.806 176.024 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 91.6 mtt-85 -75.55 -23.1 56.57 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 115.801 -0.636 . . . . 0.0 110.802 179.55 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 90.44 7.88 66.68 Favored Glycine 0 N--CA 1.447 -0.606 0 C-N-CA 120.7 -0.762 . . . . 0.0 111.223 -173.949 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -89.51 88.5 7.47 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-O 120.931 0.396 . . . . 0.0 110.253 -179.183 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 68' ' ' MET . . . . . 0.518 ' HA ' ' CE ' ' A' ' 68' ' ' MET . 0.0 OUTLIER -72.97 -35.12 66.86 Favored 'General case' 0 C--N 1.324 -0.538 0 CA-C-N 116.0 -0.545 . . . . 0.0 110.394 -176.038 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 24.0 tt0 -60.58 -54.5 44.71 Favored 'General case' 0 CA--C 1.519 -0.24 0 CA-C-N 116.028 -0.533 . . . . 0.0 110.014 178.229 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 70' ' ' ARG . . . . . 0.559 ' HD3' ' SD ' ' A' ' 33' ' ' MET . 48.3 mtt-85 -66.92 -25.13 66.22 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 115.474 -0.784 . . . . 0.0 110.968 -176.147 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -65.96 -50.19 65.21 Favored 'General case' 0 C--O 1.235 0.318 0 CA-C-O 121.156 0.503 . . . . 0.0 110.344 175.769 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 72' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -71.75 -27.99 63.36 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-O 121.284 0.564 . . . . 0.0 110.297 179.021 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 73' ' ' LYS . . . . . 0.419 ' HB3' ' HA ' ' A' ' 70' ' ' ARG . 75.6 tttt -73.49 -37.95 65.55 Favored 'General case' 0 C--N 1.323 -0.546 0 CA-C-N 115.469 -0.787 . . . . 0.0 110.62 179.613 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -58.69 -51.46 69.85 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.508 -0.315 . . . . 0.0 110.237 175.535 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 70.6 ttt180 -51.06 -50.09 59.36 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 115.946 -0.57 . . . . 0.0 111.271 178.532 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 83.6 mtm180 -73.12 -27.54 61.75 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-N 115.833 -0.621 . . . . 0.0 111.801 -175.54 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 77' ' ' ARG . . . . . 0.628 ' NE ' ' HA ' ' A' ' 77' ' ' ARG . 0.0 OUTLIER -79.06 -35.25 42.84 Favored 'General case' 0 C--N 1.329 -0.291 0 C-N-CA 120.71 -0.396 . . . . 0.0 110.066 179.266 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 78' ' ' CYS . . . . . . . . . . . . . 94.9 m -65.83 -40.18 91.56 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 120.805 0.336 . . . . 0.0 110.184 174.547 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . -60.98 -33.22 83.02 Favored Glycine 0 C--N 1.334 0.421 0 C-N-CA 120.896 -0.669 . . . . 0.0 111.931 174.768 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 80' ' ' GLU . . . . . 0.427 ' HB3' ' O ' ' A' ' 77' ' ' ARG . 28.1 tp10 -65.1 -43.58 91.61 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-O 120.9 0.381 . . . . 0.0 110.254 175.208 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 81' ' ' VAL . . . . . 0.411 HG23 ' O ' ' A' ' 77' ' ' ARG . 62.0 t -64.86 -40.46 89.15 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.251 0 CA-C-N 116.291 -0.413 . . . . 0.0 110.455 177.012 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 82' ' ' PHE . . . . . 0.432 ' O ' HG13 ' A' ' 86' ' ' ILE . 19.1 m-85 -60.1 -43.43 95.59 Favored 'General case' 0 C--N 1.332 -0.154 0 CA-C-N 116.292 -0.413 . . . . 0.0 110.378 176.379 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 83' ' ' ARG . . . . . 0.412 ' O ' HG23 ' A' ' 87' ' ' VAL . 31.8 ttt180 -57.37 -49.76 75.13 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 115.949 -0.569 . . . . 0.0 110.307 175.968 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 84' ' ' TYR . . . . . . . . . . . . . 64.4 t80 -56.11 -42.76 77.33 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 115.941 -0.572 . . . . 0.0 110.428 179.072 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -67.62 -35.59 79.23 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 115.819 -0.628 . . . . 0.0 111.839 -178.179 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 86' ' ' ILE . . . . . 0.432 HG13 ' O ' ' A' ' 82' ' ' PHE . 82.2 mt -66.93 -42.59 89.08 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.446 0 CA-C-O 121.061 0.457 . . . . 0.0 110.17 176.982 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 87' ' ' VAL . . . . . 0.412 HG23 ' O ' ' A' ' 83' ' ' ARG . 64.5 t -68.06 -33.86 63.45 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.37 0 CA-C-N 115.884 -0.598 . . . . 0.0 110.907 179.416 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 88' ' ' THR . . . . . . . . . . . . . 17.0 p -85.2 0.42 51.89 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-O 120.875 0.369 . . . . 0.0 111.467 179.903 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . 69.39 30.86 71.18 Favored Glycine 0 N--CA 1.452 -0.286 0 C-N-CA 121.194 -0.527 . . . . 0.0 112.757 177.227 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 99.2 mtt180 -113.29 -3.38 13.84 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-O 120.568 0.223 . . . . 0.0 111.022 179.624 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . -139.04 130.71 27.4 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-O 120.893 0.378 . . . . 0.0 110.884 176.924 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 63.7 tttp -96.63 -34.73 11.29 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 115.757 -0.656 . . . . 0.0 110.378 179.003 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 93' ' ' TYR . . . . . . . . . . . . . 87.7 t80 -142.71 144.37 32.66 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 115.573 -0.74 . . . . 0.0 109.683 -178.102 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 94' ' ' ASN . . . . . . . . . . . . . 26.2 p-10 -120.52 133.8 24.09 Favored Pre-proline 0 C--N 1.323 -0.55 0 CA-C-O 120.786 0.327 . . . . 0.0 110.459 178.228 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 95' ' ' PRO . . . . . . . . . . . . . 73.3 Cg_endo -76.7 34.28 0.44 Allowed 'Trans proline' 0 CA--C 1.529 0.255 0 C-N-CA 122.999 2.466 . . . . 0.0 113.04 -178.096 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 96' ' ' ALA . . . . . 0.524 ' N ' ' HD2' ' A' ' 97' ' ' PRO . . . -68.12 -48.31 38.14 Favored Pre-proline 0 CA--C 1.537 0.47 0 CA-C-N 116.333 -0.394 . . . . 0.0 111.661 -179.203 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 97' ' ' PRO . . . . . 0.524 ' HD2' ' N ' ' A' ' 96' ' ' ALA . 18.0 Cg_endo -60.62 -35.54 89.29 Favored 'Trans proline' 0 C--N 1.357 1.003 0 C-N-CA 121.82 1.68 . . . . 0.0 111.615 174.514 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 98' ' ' ASP . . . . . 0.476 ' HB3' ' HB3' ' A' ' 52' ' ' PRO . 15.0 m-20 -66.93 -37.96 85.3 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.022 -0.535 . . . . 0.0 110.268 178.987 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 99' ' ' LEU . . . . . 0.456 HD13 ' C ' ' A' ' 99' ' ' LEU . 3.3 tm? -54.76 -49.74 70.15 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 115.421 -0.808 . . . . 0.0 109.956 175.22 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 100' ' ' ALA . . . . . 0.554 ' O ' ' HG3' ' A' ' 104' ' ' LYS . . . -71.7 -24.57 61.83 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-N 115.787 -0.642 . . . . 0.0 110.967 -179.152 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 17.6 t70 -68.35 -50.41 53.4 Favored 'General case' 0 C--N 1.324 -0.531 0 CA-C-N 115.936 -0.575 . . . . 0.0 110.514 -179.724 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -65.51 -35.79 81.91 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-N 115.963 -0.562 . . . . 0.0 110.598 177.592 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 103' ' ' MET . . . . . . . . . . . . . 54.5 ttm -55.22 -39.54 69.78 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.087 -0.506 . . . . 0.0 111.12 177.494 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 104' ' ' LYS . . . . . 0.554 ' HG3' ' O ' ' A' ' 100' ' ' ALA . 43.7 mttp -69.37 -45.58 69.01 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-O 120.848 0.356 . . . . 0.0 110.79 178.596 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 105' ' ' GLY . . . . . 0.478 ' O ' ' HB3' ' A' ' 108' ' ' LYS . . . -67.37 -23.89 73.51 Favored Glycine 0 N--CA 1.455 -0.093 0 C-N-CA 120.918 -0.658 . . . . 0.0 111.963 179.642 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 106' ' ' TYR . . . . . . . . . . . . . 54.1 t80 -69.72 -46.78 65.17 Favored 'General case' 0 C--N 1.323 -0.573 0 CA-C-N 115.459 -0.37 . . . . 0.0 110.384 177.709 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 107' ' ' ARG . . . . . . . . . . . . . 57.6 ttp85 -74.55 -11.65 60.26 Favored 'General case' 0 CA--C 1.533 0.317 0 CA-C-O 121.531 0.681 . . . . 0.0 110.415 179.123 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 108' ' ' LYS . . . . . 0.478 ' HB3' ' O ' ' A' ' 105' ' ' GLY . 81.9 tttt -69.64 -27.03 64.71 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 115.514 -0.766 . . . . 0.0 109.876 174.84 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 109' ' ' LYS . . . . . . . . . . . . . 97.0 mttt -95.23 152.46 18.35 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 115.732 -0.667 . . . . 0.0 110.711 -179.266 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 110' ' ' ASN . . . . . . . . . . . . . 41.8 m-80 -105.75 92.64 4.26 Favored 'General case' 0 C--N 1.321 -0.661 0 CA-C-N 115.993 -0.549 . . . . 0.0 109.901 178.554 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 111' ' ' LEU . . . . . . . . . . . . . 30.1 tp -61.88 127.16 30.09 Favored 'General case' 0 C--N 1.322 -0.602 0 CA-C-N 115.575 -0.739 . . . . 0.0 110.436 -178.884 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 112' ' ' GLU . . . . . . . . . . . . . 40.7 tt0 -55.17 -46.7 75.8 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 115.43 -0.804 . . . . 0.0 111.011 -178.914 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 113' ' ' HIS . . . . . 0.492 ' HB3' ' O ' ' A' ' 115' ' ' HIS . 65.2 m80 -100.78 101.2 11.99 Favored 'General case' 0 C--N 1.323 -0.565 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.149 176.653 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 114' ' ' HIS . . . . . . . . . . . . . 76.8 m80 -64.76 -29.91 70.9 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-O 121.541 0.686 . . . . 0.0 109.603 177.544 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 115' ' ' HIS . . . . . 0.492 ' O ' ' HB3' ' A' ' 113' ' ' HIS . 38.4 m80 -99.84 113.24 25.62 Favored 'General case' 0 C--N 1.322 -0.624 0 N-CA-C 107.357 -1.349 . . . . 0.0 107.357 164.855 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 116' ' ' HIS . . . . . . . . . . . . . 15.4 t-80 -61.51 -13.71 23.35 Favored 'General case' 0 CA--C 1.535 0.377 0 N-CA-C 112.563 0.579 . . . . 0.0 112.563 -169.581 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 117' ' ' HIS . . . . . . . . . . . . . 98.4 m-70 -103.91 -74.75 0.63 Allowed 'General case' 0 C--N 1.324 -0.51 0 N-CA-C 109.677 -0.49 . . . . 0.0 109.677 174.241 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 118' ' ' HIS . . . . . . . . . . . . . 8.1 m80 . . . . . 0 C--O 1.243 0.748 0 CA-C-O 118.358 -0.83 . . . . 0.0 110.195 176.811 . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 29.8 m . . . . . 0 N--CA 1.474 0.729 0 CA-C-O 120.974 0.416 . . . . 0.0 110.583 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 22.7 t -84.47 -43.9 14.16 Favored 'General case' 0 C--N 1.325 -0.467 0 N-CA-C 109.019 -0.734 . . . . 0.0 109.019 176.62 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 3' ' ' ASN . . . . . . . . . . . . . 5.8 t30 -79.02 97.26 6.02 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-N 115.192 -0.913 . . . . 0.0 109.693 176.825 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 4' ' ' ASN . . . . . . . . . . . . . 32.5 t-20 -102.73 122.68 44.95 Favored 'General case' 0 C--N 1.323 -0.586 0 N-CA-C 109.858 -0.423 . . . . 0.0 109.858 -178.979 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 29.1 p-10 -105.56 13.0 30.65 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.666 -175.216 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 62.1 p -69.75 154.07 42.49 Favored 'General case' 0 C--O 1.238 0.467 0 N-CA-C 110.011 -0.366 . . . . 0.0 110.011 176.916 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 7' ' ' PHE . . . . . . . . . . . . . 43.5 t80 -60.96 -41.09 95.67 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-N 116.38 -0.373 . . . . 0.0 110.548 -178.363 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 29.0 t -60.48 -39.53 87.97 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.463 -0.335 . . . . 0.0 111.185 179.487 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -66.87 -45.38 78.27 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.937 0.398 . . . . 0.0 111.163 -178.556 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 56.0 mt -73.46 -33.77 40.82 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.436 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.511 -179.806 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 0.4 OUTLIER -60.09 -41.02 91.61 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.232 173.39 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 4.9 tmtp? -63.57 -44.27 94.59 Favored 'General case' 0 C--N 1.326 -0.44 0 N-CA-C 109.915 -0.402 . . . . 0.0 109.915 179.66 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 10.4 tp10 -60.3 -49.56 77.12 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 115.95 -0.568 . . . . 0.0 110.154 176.261 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 14' ' ' TRP . . . . . 0.59 ' HH2' ' HD3' ' A' ' 77' ' ' ARG . 64.6 t90 -56.79 -49.2 76.05 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 115.431 -0.804 . . . . 0.0 110.614 177.121 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 15' ' ' TYR . . . . . 0.441 ' CE1' ' HB2' ' A' ' 31' ' ' ALA . 35.6 t80 -55.74 -50.83 69.32 Favored 'General case' 0 C--O 1.223 -0.297 0 CA-C-N 116.123 -0.49 . . . . 0.0 111.462 -179.827 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 41.1 mt-10 -62.45 -27.79 69.36 Favored 'General case' 0 C--N 1.327 -0.37 0 N-CA-C 111.71 0.263 . . . . 0.0 111.71 -176.994 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 17' ' ' HIS . . . . . . . . . . . . . 75.1 t60 -78.89 -43.91 23.87 Favored 'General case' 0 C--N 1.323 -0.554 0 CA-C-O 120.733 0.301 . . . . 0.0 110.396 178.264 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 18' ' ' LYS . . . . . 0.544 ' HG2' ' O ' ' A' ' 14' ' ' TRP . 24.9 mmmt -71.05 -25.3 62.58 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 121.248 0.547 . . . . 0.0 109.91 178.926 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 89.1 tttt -62.5 -16.68 57.01 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 115.484 -0.78 . . . . 0.0 111.007 -179.614 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 70.8 mm-40 -79.52 -28.59 41.35 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-O 120.725 0.297 . . . . 0.0 110.775 -179.993 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 28.3 m -100.94 -9.23 9.02 Favored 'Isoleucine or valine' 0 C--O 1.236 0.359 0 CA-C-O 120.838 0.352 . . . . 0.0 111.423 -177.612 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 22' ' ' TRP . . . . . . . . . . . . . 52.7 m0 -102.74 160.0 14.98 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-O 120.846 0.355 . . . . 0.0 110.25 177.808 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 5.8 p -77.32 133.71 38.7 Favored 'General case' 0 C--N 1.323 -0.567 0 N-CA-C 108.645 -0.872 . . . . 0.0 108.645 170.921 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 43.0 t -56.32 -38.52 55.59 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.421 0 N-CA-C 112.147 0.425 . . . . 0.0 112.147 -171.688 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -58.24 -51.92 55.68 Favored Glycine 0 N--CA 1.451 -0.358 0 C-N-CA 120.712 -0.756 . . . . 0.0 111.76 177.146 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 26' ' ' TYR . . . . . . . . . . . . . 82.0 t80 -66.85 -40.63 87.99 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-O 120.673 0.273 . . . . 0.0 110.868 178.377 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -57.9 -39.26 77.48 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.004 -179.077 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 8.5 m -72.34 -37.07 68.94 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-N 116.453 -0.34 . . . . 0.0 110.827 -179.832 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 72.7 mm-40 -63.64 -45.71 89.0 Favored 'General case' 0 C--O 1.234 0.259 0 CA-C-O 120.952 0.406 . . . . 0.0 110.065 176.848 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 9.4 tt -64.0 -47.48 80.13 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 115.806 -0.634 . . . . 0.0 110.049 178.87 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 31' ' ' ALA . . . . . 0.441 ' HB2' ' CE1' ' A' ' 15' ' ' TYR . . . -58.37 -44.3 88.82 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 115.859 -0.609 . . . . 0.0 111.253 -178.485 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 86.0 tttt -67.11 -41.33 86.43 Favored 'General case' 0 C--O 1.221 -0.413 0 C-N-CA 120.165 -0.614 . . . . 0.0 111.009 -178.247 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 33' ' ' MET . . . . . . . . . . . . . 24.3 ttp -60.03 -46.84 88.17 Favored 'General case' 0 N--CA 1.465 0.29 0 CA-C-O 121.238 0.542 . . . . 0.0 109.684 177.759 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 34' ' ' PHE . . . . . 0.467 ' CD2' HG13 ' A' ' 38' ' ' ILE . 26.7 t80 -57.96 -60.04 4.34 Favored 'General case' 0 C--O 1.219 -0.514 0 CA-C-N 115.097 -0.956 . . . . 0.0 109.236 177.456 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 35' ' ' ASP . . . . . 0.629 ' HA ' HD23 ' A' ' 39' ' ' LEU . 13.9 t70 -54.19 -46.66 72.47 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-N 116.003 -0.544 . . . . 0.0 111.831 -178.693 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 27.3 t70 -63.45 -31.72 72.96 Favored 'General case' 0 C--N 1.327 -0.38 0 N-CA-C 112.382 0.512 . . . . 0.0 112.382 -173.676 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 5.1 m-20 -99.4 -39.92 8.14 Favored 'General case' 0 C--N 1.328 -0.346 0 N-CA-C 111.83 0.307 . . . . 0.0 111.83 179.213 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 38' ' ' ILE . . . . . 0.49 HD13 HG11 ' A' ' 58' ' ' VAL . 25.8 mm -67.04 -44.99 87.91 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 CA-C-N 116.347 -0.388 . . . . 0.0 111.784 -177.086 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 39' ' ' LEU . . . . . 0.63 ' HA ' ' HA3' ' A' ' 43' ' ' GLY . 2.6 mm? -60.92 -51.9 76.11 Favored Pre-proline 0 C--N 1.326 -0.422 0 N-CA-C 113.421 0.897 . . . . 0.0 113.421 -171.703 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 40' ' ' PRO . . . . . 0.415 ' HD2' ' N ' ' A' ' 39' ' ' LEU . 44.4 Cg_endo -68.42 -3.6 11.3 Favored 'Trans proline' 0 C--N 1.35 0.657 0 C-N-CA 121.909 1.739 . . . . 0.0 113.184 -179.623 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 41' ' ' ILE . . . . . 0.636 HG22 HG23 ' A' ' 42' ' ' ILE . 36.3 mm -110.63 -56.11 4.6 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.376 0 CA-C-O 120.507 0.194 . . . . 0.0 111.369 179.76 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 42' ' ' ILE . . . . . 0.636 HG23 HG22 ' A' ' 41' ' ' ILE . 6.0 pt -136.2 4.17 0.92 Allowed 'Isoleucine or valine' 0 N--CA 1.467 0.404 0 N-CA-C 112.842 0.682 . . . . 0.0 112.842 -173.864 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 43' ' ' GLY . . . . . 0.63 ' HA3' ' HA ' ' A' ' 39' ' ' LEU . . . -59.65 -40.55 96.61 Favored Glycine 0 CA--C 1.51 -0.271 0 C-N-CA 120.507 -0.854 . . . . 0.0 113.262 -173.257 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -91.5 12.08 70.32 Favored Glycine 0 N--CA 1.441 -1.009 0 C-N-CA 120.645 -0.788 . . . . 0.0 112.338 -177.867 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 81.2 mt -96.76 152.49 18.62 Favored 'General case' 0 N--CA 1.449 -0.478 0 CA-C-N 116.886 0.343 . . . . 0.0 110.153 179.804 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 46' ' ' GLU . . . . . 0.558 ' O ' HG13 ' A' ' 50' ' ' ILE . 43.4 mt-10 -68.59 137.25 54.12 Favored 'General case' 0 C--N 1.324 -0.534 0 N-CA-C 108.766 -0.827 . . . . 0.0 108.766 174.597 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 47' ' ' ILE . . . . . 0.48 HD11 ' HA ' ' A' ' 82' ' ' PHE . 19.0 tt -61.96 -21.36 26.0 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.584 0 CA-C-O 121.424 0.63 . . . . 0.0 110.796 -177.313 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 42.8 mt-30 -86.71 -20.7 27.33 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 115.654 -0.703 . . . . 0.0 110.871 178.427 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 20.9 t70 -113.41 22.11 14.52 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-O 121.254 0.549 . . . . 0.0 111.092 -166.38 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 50' ' ' ILE . . . . . 0.558 HG13 ' O ' ' A' ' 46' ' ' GLU . 83.6 mt -88.94 128.31 41.14 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.045 179.778 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 51' ' ' GLU . . . . . 0.984 ' HB2' ' HB2' ' A' ' 54' ' ' GLN . 57.3 mm-40 -67.52 145.05 98.18 Favored Pre-proline 0 C--N 1.327 -0.398 0 CA-C-N 115.526 -0.761 . . . . 0.0 110.681 179.576 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 52' ' ' PRO . . . . . . . . . . . . . 44.9 Cg_exo -57.04 -45.14 37.97 Favored 'Trans proline' 0 C--N 1.342 0.23 0 C-N-CA 122.545 2.163 . . . . 0.0 112.114 176.738 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 53' ' ' MET . . . . . 0.43 ' HA ' ' HB3' ' A' ' 56' ' ' LEU . 85.1 mtp -78.32 -8.29 58.24 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 120.966 0.413 . . . . 0.0 110.699 179.459 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 54' ' ' GLN . . . . . 0.984 ' HB2' ' HB2' ' A' ' 51' ' ' GLU . 31.3 tp60 -81.46 -41.46 21.76 Favored 'General case' 0 C--N 1.324 -0.512 0 N-CA-C 108.818 -0.808 . . . . 0.0 108.818 176.868 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 28.8 tp -65.57 -37.42 86.62 Favored 'General case' 0 C--N 1.324 -0.531 0 CA-C-N 115.423 -0.808 . . . . 0.0 109.034 172.725 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 56' ' ' LEU . . . . . 0.525 ' O ' HD22 ' A' ' 56' ' ' LEU . 1.9 tm? -63.42 -34.73 78.38 Favored 'General case' 0 C--O 1.221 -0.44 0 CA-C-N 115.608 -0.724 . . . . 0.0 109.911 173.344 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 57' ' ' GLU . . . . . 0.475 ' HG3' ' NH2' ' A' ' 60' ' ' ARG . 28.4 tt0 -59.88 -36.35 76.74 Favored 'General case' 0 C--N 1.325 -0.465 0 N-CA-C 110.404 -0.221 . . . . 0.0 110.404 179.783 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 58' ' ' VAL . . . . . 0.508 ' O ' ' HB3' ' A' ' 61' ' ' ARG . 90.4 t -62.31 -57.98 9.63 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.381 0 CA-C-O 121.12 0.486 . . . . 0.0 110.995 173.639 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 59' ' ' ILE . . . . . 0.571 HG23 ' HB1' ' A' ' 71' ' ' ALA . 1.7 mp -58.24 -44.2 87.46 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.42 0 CA-C-N 116.043 -0.526 . . . . 0.0 110.716 -179.178 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 60' ' ' ARG . . . . . 0.475 ' NH2' ' HG3' ' A' ' 57' ' ' GLU . 34.0 ttp180 -62.03 -32.83 73.37 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 115.816 -0.629 . . . . 0.0 110.453 178.15 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 61' ' ' ARG . . . . . 0.508 ' HB3' ' O ' ' A' ' 58' ' ' VAL . 19.8 tpt85 -61.81 -35.56 78.57 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 115.82 -0.627 . . . . 0.0 110.235 176.991 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 62' ' ' PHE . . . . . . . . . . . . . 71.7 m-85 -75.34 -42.91 53.2 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.589 175.415 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 63' ' ' GLU . . . . . 0.406 ' HG3' ' O ' ' A' ' 59' ' ' ILE . 42.7 mt-10 -61.32 -29.41 69.86 Favored 'General case' 0 N--CA 1.465 0.288 0 CA-C-O 121.044 0.449 . . . . 0.0 111.026 179.317 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 35.9 t70 -61.6 -26.69 68.14 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-N 115.617 -0.72 . . . . 0.0 110.776 178.147 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 65' ' ' ARG . . . . . 0.42 ' NH1' ' HG3' ' A' ' 61' ' ' ARG . 2.6 mpp_? -102.99 -0.07 31.43 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.865 177.28 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 81.57 13.12 80.77 Favored Glycine 0 N--CA 1.447 -0.587 0 C-N-CA 120.458 -0.877 . . . . 0.0 111.779 179.548 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 67' ' ' ALA . . . . . 0.477 ' HB1' ' HB2' ' A' ' 70' ' ' ARG . . . -83.4 73.81 10.13 Favored 'General case' 0 C--N 1.321 -0.631 0 N-CA-C 109.738 -0.467 . . . . 0.0 109.738 178.223 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 68' ' ' MET . . . . . . . . . . . . . 38.7 mmm -71.72 -40.07 69.69 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-N 115.876 -0.602 . . . . 0.0 110.623 -173.093 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 19.6 mm-40 -69.83 -35.66 74.96 Favored 'General case' 0 C--N 1.323 -0.58 0 CA-C-N 115.85 -0.614 . . . . 0.0 110.019 179.498 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 70' ' ' ARG . . . . . 0.477 ' HB2' ' HB1' ' A' ' 67' ' ' ALA . 70.2 mtt180 -69.97 -34.24 73.13 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.253 176.887 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 71' ' ' ALA . . . . . 0.571 ' HB1' HG23 ' A' ' 59' ' ' ILE . . . -62.34 -49.36 75.9 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-O 120.97 0.414 . . . . 0.0 110.147 175.803 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 72' ' ' ASN . . . . . . . . . . . . . 29.5 m-80 -61.1 -36.99 81.15 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 115.814 -0.63 . . . . 0.0 110.828 175.398 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 85.0 tttt -63.71 -50.96 67.12 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 115.826 -0.625 . . . . 0.0 110.117 178.408 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -55.1 -49.76 70.9 Favored 'General case' 0 CA--C 1.52 -0.201 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.423 177.478 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 75.2 ttt180 -51.26 -46.6 62.44 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 115.114 -0.948 . . . . 0.0 111.776 179.51 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 45.1 ttm-85 -74.17 -44.03 55.06 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.545 -0.298 . . . . 0.0 111.399 -177.382 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 77' ' ' ARG . . . . . 0.59 ' HD3' ' HH2' ' A' ' 14' ' ' TRP . 2.2 mmp_? -60.26 -42.38 95.21 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.546 -0.297 . . . . 0.0 110.353 -179.869 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 78' ' ' CYS . . . . . . . . . . . . . 85.2 m -64.41 -39.12 93.23 Favored 'General case' 0 CA--C 1.523 -0.082 0 CA-C-N 116.427 -0.352 . . . . 0.0 110.465 177.843 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . -55.03 -36.93 61.71 Favored Glycine 0 C--N 1.333 0.38 0 C-N-CA 121.255 -0.498 . . . . 0.0 112.382 177.695 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 47.3 mt-10 -71.4 -36.29 71.31 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-O 120.501 0.191 . . . . 0.0 111.291 177.408 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 56.6 t -61.31 -46.74 96.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-O 121.062 0.458 . . . . 0.0 109.777 175.322 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 82' ' ' PHE . . . . . 0.48 ' HA ' HD11 ' A' ' 47' ' ' ILE . 67.2 m-85 -61.75 -41.22 97.39 Favored 'General case' 0 C--N 1.333 -0.14 0 CA-C-N 115.785 -0.643 . . . . 0.0 110.123 174.794 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 83' ' ' ARG . . . . . 0.479 ' O ' HG23 ' A' ' 87' ' ' VAL . 40.0 ttm180 -58.22 -46.72 85.38 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 115.746 -0.661 . . . . 0.0 111.122 -179.903 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 84' ' ' TYR . . . . . . . . . . . . . 68.2 t80 -60.43 -41.57 94.26 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-O 120.808 0.337 . . . . 0.0 110.114 178.416 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 85' ' ' ALA . . . . . 0.453 ' HA ' HG22 ' A' ' 88' ' ' THR . . . -63.53 -32.55 74.04 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 115.943 -0.571 . . . . 0.0 111.066 178.82 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 86' ' ' ILE . . . . . 0.473 HG13 ' O ' ' A' ' 82' ' ' PHE . 75.2 mt -71.28 -44.25 73.23 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.4 0 CA-C-O 120.704 0.288 . . . . 0.0 110.237 176.296 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 87' ' ' VAL . . . . . 0.479 HG23 ' O ' ' A' ' 83' ' ' ARG . 92.5 t -60.73 -41.19 87.44 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.237 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.036 179.407 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 88' ' ' THR . . . . . 0.526 HG23 ' HG3' ' A' ' 90' ' ' ARG . 15.2 t -81.99 5.87 17.87 Favored 'General case' 0 CA--C 1.537 0.477 0 CA-C-O 121.007 0.432 . . . . 0.0 110.908 179.981 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . 67.66 30.45 74.75 Favored Glycine 0 C--N 1.329 0.18 0 C-N-CA 121.296 -0.478 . . . . 0.0 113.461 173.53 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 90' ' ' ARG . . . . . 0.526 ' HG3' HG23 ' A' ' 88' ' ' THR . 99.6 mtt180 -99.82 -41.2 7.35 Favored 'General case' 0 C--N 1.322 -0.601 0 CA-C-O 121.035 0.445 . . . . 0.0 110.25 176.785 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . -104.33 136.56 43.69 Favored 'General case' 0 C--N 1.32 -0.688 0 CA-C-N 115.822 -0.626 . . . . 0.0 110.278 179.028 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 62.4 tttp -101.42 -30.21 11.57 Favored 'General case' 0 C--N 1.32 -0.709 0 CA-C-O 121.333 0.587 . . . . 0.0 109.809 179.846 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 93' ' ' TYR . . . . . . . . . . . . . 93.0 t80 -146.88 135.55 22.11 Favored 'General case' 0 C--N 1.321 -0.664 0 CA-C-N 115.416 -0.811 . . . . 0.0 110.276 -177.05 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 94' ' ' ASN . . . . . . . . . . . . . 26.2 p-10 -112.37 133.78 21.7 Favored Pre-proline 0 C--N 1.32 -0.704 0 CA-C-N 115.961 -0.563 . . . . 0.0 109.798 176.503 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 95' ' ' PRO . . . . . 0.41 ' HA ' ' OD1' ' A' ' 98' ' ' ASP . 73.8 Cg_endo -76.99 36.9 0.55 Allowed 'Trans proline' 0 CA--C 1.532 0.379 0 C-N-CA 122.705 2.27 . . . . 0.0 112.905 -177.304 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 96' ' ' ALA . . . . . 0.523 ' N ' ' HD2' ' A' ' 97' ' ' PRO . . . -70.45 -46.53 19.19 Favored Pre-proline 0 CA--C 1.537 0.471 0 CA-C-N 116.324 -0.398 . . . . 0.0 111.816 179.754 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 97' ' ' PRO . . . . . 0.523 ' HD2' ' N ' ' A' ' 96' ' ' ALA . 20.5 Cg_endo -63.06 -34.2 70.78 Favored 'Trans proline' 0 C--N 1.355 0.92 0 C-N-CA 121.686 1.591 . . . . 0.0 111.723 174.499 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 98' ' ' ASP . . . . . 0.41 ' OD1' ' HA ' ' A' ' 95' ' ' PRO . 3.8 m-20 -66.04 -44.31 85.01 Favored 'General case' 0 CA--C 1.518 -0.265 0 CA-C-N 115.818 -0.628 . . . . 0.0 109.547 176.736 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 99' ' ' LEU . . . . . 0.435 ' HB3' ' O ' ' A' ' 96' ' ' ALA . 1.7 tm? -51.67 -46.44 63.79 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 114.978 -1.01 . . . . 0.0 110.313 174.528 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 100' ' ' ALA . . . . . 0.53 ' O ' ' HG3' ' A' ' 104' ' ' LYS . . . -60.96 -52.18 66.1 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.416 -179.339 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 13.3 t70 -66.36 -42.12 88.49 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.066 -174.966 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -61.52 -44.95 96.13 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 115.995 -0.548 . . . . 0.0 110.656 178.232 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 103' ' ' MET . . . . . . . . . . . . . 29.5 ttm -55.39 -35.51 65.39 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 115.986 -0.552 . . . . 0.0 110.954 177.798 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 104' ' ' LYS . . . . . 0.53 ' HG3' ' O ' ' A' ' 100' ' ' ALA . 94.0 mttt -68.58 -61.34 1.87 Allowed 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 115.926 -0.579 . . . . 0.0 111.071 -179.939 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 105' ' ' GLY . . . . . . . . . . . . . . . -75.2 -22.62 75.91 Favored Glycine 0 CA--C 1.52 0.355 0 CA-C-N 115.8 -0.637 . . . . 0.0 113.956 -171.207 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 106' ' ' TYR . . . . . . . . . . . . . 84.5 t80 -62.91 -14.65 49.43 Favored 'General case' 0 N--CA 1.467 0.375 0 CA-C-N 117.024 0.412 . . . . 0.0 111.793 -177.071 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 107' ' ' ARG . . . . . . . . . . . . . 78.7 mtm180 -84.15 -2.74 57.37 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 116.55 -0.295 . . . . 0.0 111.349 -177.439 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 108' ' ' LYS . . . . . 0.452 ' HG2' ' O ' ' A' ' 108' ' ' LYS . 61.8 tttp 61.08 36.15 18.47 Favored 'General case' 0 CA--C 1.535 0.394 0 CA-C-O 121.749 0.785 . . . . 0.0 111.292 177.903 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 109' ' ' LYS . . . . . . . . . . . . . 98.4 mttt -118.29 14.29 13.83 Favored 'General case' 0 C--N 1.32 -0.689 0 N-CA-C 109.068 -0.715 . . . . 0.0 109.068 173.345 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 110' ' ' ASN . . . . . . . . . . . . . 7.3 t30 -153.85 120.21 5.47 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-N 115.013 -0.994 . . . . 0.0 109.618 -179.178 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 111' ' ' LEU . . . . . . . . . . . . . 48.1 tp -105.11 146.88 28.55 Favored 'General case' 0 C--N 1.322 -0.595 0 CA-C-O 120.7 0.286 . . . . 0.0 110.508 -178.174 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 112' ' ' GLU . . . . . 0.488 ' HB2' ' CE1' ' A' ' 115' ' ' HIS . 42.2 mt-10 -64.63 129.61 40.46 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.432 177.259 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 113' ' ' HIS . . . . . . . . . . . . . 55.0 m80 -97.39 -17.22 19.84 Favored 'General case' 0 C--N 1.322 -0.599 0 CA-C-O 121.291 0.567 . . . . 0.0 109.545 177.344 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 114' ' ' HIS . . . . . . . . . . . . . 16.8 m80 -133.81 113.12 11.92 Favored 'General case' 0 C--N 1.324 -0.528 0 CA-C-N 115.287 -0.869 . . . . 0.0 109.377 172.652 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 115' ' ' HIS . . . . . 0.488 ' CE1' ' HB2' ' A' ' 112' ' ' GLU . 85.8 m-70 -96.57 131.81 42.83 Favored 'General case' 0 C--N 1.32 -0.687 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.797 -178.822 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 116' ' ' HIS . . . . . . . . . . . . . 26.2 m170 -98.55 -68.28 0.81 Allowed 'General case' 0 C--N 1.322 -0.613 0 N-CA-C 108.498 -0.927 . . . . 0.0 108.498 172.598 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 117' ' ' HIS . . . . . . . . . . . . . 16.0 p-80 171.87 -30.38 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 114.329 -1.305 . . . . 0.0 108.053 175.151 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 118' ' ' HIS . . . . . . . . . . . . . 1.9 p-80 . . . . . 0 C--O 1.246 0.882 0 N-CA-C 107.602 -1.258 . . . . 0.0 107.602 167.457 . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A ' 1' ' ' SER . . . . . 0.682 ' HA ' ' OE1' ' A' ' 46' ' ' GLU . 21.0 t . . . . . 0 N--CA 1.477 0.887 0 N-CA-C 109.791 -0.448 . . . . 0.0 109.791 . . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 42.1 m -150.47 161.72 41.98 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-O 120.782 0.325 . . . . 0.0 110.684 -174.418 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 3' ' ' ASN . . . . . . . . . . . . . 16.2 m120 -66.08 -30.72 71.28 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.332 178.384 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 4' ' ' ASN . . . . . . . . . . . . . 65.1 t30 -76.87 -1.32 27.81 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-O 121.306 0.574 . . . . 0.0 110.711 179.644 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 3.7 m-20 -101.44 1.08 37.89 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.041 -0.527 . . . . 0.0 110.687 178.984 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . 0.561 ' HA ' ' HA ' ' A' ' 46' ' ' GLU . 91.2 p -76.77 155.52 33.08 Favored 'General case' 0 C--O 1.237 0.406 0 N-CA-C 109.868 -0.419 . . . . 0.0 109.868 179.926 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 7' ' ' PHE . . . . . 0.519 ' HB2' HD11 ' A' ' 50' ' ' ILE . 33.1 t80 -61.56 -38.74 88.6 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.046 -179.779 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 33.1 p -58.13 -45.33 87.51 Favored 'General case' 0 C--O 1.236 0.366 0 CA-C-N 116.31 -0.405 . . . . 0.0 111.409 178.375 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -64.81 -51.63 61.12 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.002 -0.544 . . . . 0.0 111.094 -177.58 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 54.4 mt -68.34 -33.51 60.84 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 CA-C-N 115.953 -0.567 . . . . 0.0 110.84 -178.222 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 11' ' ' TYR . . . . . 0.532 ' OH ' ' HA ' ' A' ' 31' ' ' ALA . 89.6 t80 -62.51 -48.83 77.83 Favored 'General case' 0 C--O 1.22 -0.449 0 CA-C-N 116.508 -0.315 . . . . 0.0 110.992 179.142 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 62.3 tttm -64.44 -37.25 86.89 Favored 'General case' 0 C--N 1.332 -0.178 0 C-N-CA 120.554 -0.458 . . . . 0.0 110.548 -178.855 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 37.4 tt0 -59.62 -50.08 75.25 Favored 'General case' 0 C--N 1.323 -0.556 0 CA-C-O 121.627 0.727 . . . . 0.0 109.903 177.593 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 14' ' ' TRP . . . . . . . . . . . . . 68.0 t90 -65.13 -42.37 93.95 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-N 114.97 -1.014 . . . . 0.0 110.897 176.565 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 15' ' ' TYR . . . . . 0.422 ' CE1' ' HB2' ' A' ' 31' ' ' ALA . 45.1 t80 -60.4 -49.05 79.13 Favored 'General case' 0 C--O 1.223 -0.302 0 CA-C-N 116.027 -0.533 . . . . 0.0 111.468 179.473 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 2.4 tp10 -60.1 -39.24 85.5 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-O 121.068 0.461 . . . . 0.0 110.282 -177.259 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 17' ' ' HIS . . . . . . . . . . . . . 57.7 t60 -68.45 -47.72 66.43 Favored 'General case' 0 CA--C 1.535 0.396 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.438 177.084 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 29.7 mmtm -68.52 -14.96 63.36 Favored 'General case' 0 N--CA 1.466 0.326 0 CA-C-N 116.355 -0.384 . . . . 0.0 111.601 179.457 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 87.3 tttt -64.42 -21.36 66.62 Favored 'General case' 0 C--N 1.323 -0.569 0 CA-C-N 115.857 -0.611 . . . . 0.0 110.842 -179.027 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 72.8 mt-30 -92.49 -3.14 55.62 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 116.295 -0.411 . . . . 0.0 110.436 178.55 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 47.6 t -97.14 -47.98 12.53 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 CA-C-N 116.081 -0.509 . . . . 0.0 110.373 -178.351 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 22' ' ' TRP . . . . . . . . . . . . . 5.9 m0 -93.46 178.01 5.84 Favored 'General case' 0 C--N 1.323 -0.568 0 CA-C-N 115.968 -0.56 . . . . 0.0 110.079 179.418 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 24.2 p -81.61 142.95 32.31 Favored 'General case' 0 C--N 1.325 -0.482 0 N-CA-C 109.383 -0.599 . . . . 0.0 109.383 174.698 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 14.6 p -58.17 -34.35 49.32 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.293 0 N-CA-C 111.722 0.267 . . . . 0.0 111.722 -175.904 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -63.44 -50.32 63.2 Favored Glycine 0 N--CA 1.448 -0.532 0 C-N-CA 120.597 -0.811 . . . . 0.0 111.882 178.207 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 26' ' ' TYR . . . . . . . . . . . . . 83.0 t80 -70.0 -38.88 76.08 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-O 120.624 0.25 . . . . 0.0 110.502 -179.993 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -61.68 -39.67 92.23 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.274 -0.421 . . . . 0.0 111.091 -179.833 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 87.7 m -65.8 -42.82 90.24 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 116.657 -0.247 . . . . 0.0 110.603 178.581 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 50.5 mt-10 -64.98 -44.67 88.55 Favored 'General case' 0 C--N 1.332 -0.168 0 CA-C-O 120.802 0.334 . . . . 0.0 110.496 176.588 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 30' ' ' LEU . . . . . 0.687 HD11 ' HE ' ' A' ' 77' ' ' ARG . 9.9 tt -56.59 -48.55 77.17 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 115.674 -0.694 . . . . 0.0 109.999 177.742 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 31' ' ' ALA . . . . . 0.532 ' HA ' ' OH ' ' A' ' 11' ' ' TYR . . . -65.69 -37.34 86.18 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 116.002 -0.545 . . . . 0.0 110.989 179.399 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 66.5 tttm -66.64 -35.71 80.82 Favored 'General case' 0 CA--C 1.521 -0.159 0 CA-C-O 120.789 0.328 . . . . 0.0 110.473 179.754 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 33' ' ' MET . . . . . . . . . . . . . 54.7 ttp -59.93 -39.36 85.24 Favored 'General case' 0 C--N 1.325 -0.493 0 N-CA-C 109.532 -0.544 . . . . 0.0 109.532 176.802 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 34' ' ' PHE . . . . . 0.684 ' HA ' HD13 ' A' ' 38' ' ' ILE . 28.6 m-85 -75.34 -39.41 59.4 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 115.807 -0.633 . . . . 0.0 111.14 175.895 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 35' ' ' ASP . . . . . 0.696 ' O ' ' HB2' ' A' ' 39' ' ' LEU . 44.6 m-20 -54.86 -57.22 12.49 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-O 121.095 0.474 . . . . 0.0 110.339 175.945 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 11.7 t70 -70.98 -38.65 72.75 Favored 'General case' 0 C--N 1.321 -0.653 0 CA-C-N 115.439 -0.8 . . . . 0.0 112.687 -169.126 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 44.0 m-20 -108.62 -19.93 13.26 Favored 'General case' 0 C--N 1.329 -0.32 0 N-CA-C 113.13 0.789 . . . . 0.0 113.13 -173.793 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 38' ' ' ILE . . . . . 0.684 HD13 ' HA ' ' A' ' 34' ' ' PHE . 1.3 mp -96.41 -42.18 11.94 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.42 0 O-C-N 121.895 -0.503 . . . . 0.0 111.468 179.126 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 39' ' ' LEU . . . . . 0.696 ' HB2' ' O ' ' A' ' 35' ' ' ASP . 3.3 mm? -63.12 -46.6 86.35 Favored Pre-proline 0 CA--C 1.54 0.571 0 N-CA-C 113.105 0.78 . . . . 0.0 113.105 -173.843 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 40' ' ' PRO . . . . . 0.472 ' HD3' ' O ' ' A' ' 35' ' ' ASP . 17.8 Cg_exo -69.01 -7.49 20.99 Favored 'Trans proline' 0 C--N 1.354 0.857 0 C-N-CA 121.931 1.754 . . . . 0.0 112.529 177.959 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 41' ' ' ILE . . . . . 0.645 HG22 HG23 ' A' ' 42' ' ' ILE . 48.2 mm -102.34 -63.03 1.85 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.389 0 CA-C-N 116.49 -0.323 . . . . 0.0 110.66 179.606 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 42' ' ' ILE . . . . . 0.645 HG23 HG22 ' A' ' 41' ' ' ILE . 12.2 pt -127.58 13.05 3.34 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 N-CA-C 111.829 0.307 . . . . 0.0 111.829 -176.089 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 43' ' ' GLY . . . . . 0.529 ' HA3' HD13 ' A' ' 39' ' ' LEU . . . -54.64 -50.04 59.0 Favored Glycine 0 N--CA 1.452 -0.284 0 C-N-CA 121.27 -0.49 . . . . 0.0 113.558 -172.642 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -94.21 15.7 62.63 Favored Glycine 0 N--CA 1.449 -0.488 0 C-N-CA 120.608 -0.806 . . . . 0.0 112.81 -176.554 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 45' ' ' LEU . . . . . 0.419 HD12 HG22 ' A' ' 42' ' ' ILE . 93.7 mt -93.43 146.4 23.79 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 117.1 0.45 . . . . 0.0 110.191 179.731 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 46' ' ' GLU . . . . . 0.682 ' OE1' ' HA ' ' A' ' 1' ' ' SER . 35.2 mt-10 -68.35 136.46 53.41 Favored 'General case' 0 C--N 1.325 -0.481 0 N-CA-C 108.881 -0.785 . . . . 0.0 108.881 175.699 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 47' ' ' ILE . . . . . 0.42 HD13 ' HB2' ' A' ' 85' ' ' ALA . 15.1 tt -60.3 -23.22 27.18 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.701 0 CA-C-O 120.885 0.374 . . . . 0.0 111.696 -174.373 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 53.0 tt0 -94.96 -6.57 42.12 Favored 'General case' 0 CA--C 1.535 0.379 0 CA-C-O 121.24 0.543 . . . . 0.0 110.568 178.571 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 24.7 t70 -107.61 -11.68 15.4 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-O 121.18 0.514 . . . . 0.0 110.513 -177.515 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 50' ' ' ILE . . . . . 0.63 HG13 ' O ' ' A' ' 46' ' ' GLU . 85.9 mt -60.05 128.6 21.33 Favored 'Isoleucine or valine' 0 C--O 1.233 0.232 0 CA-C-N 115.588 -0.733 . . . . 0.0 111.432 -178.34 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 51' ' ' GLU . . . . . 0.421 ' HB2' ' CB ' ' A' ' 54' ' ' GLN . 4.0 mm-40 -72.24 130.03 86.79 Favored Pre-proline 0 C--N 1.323 -0.584 0 CA-C-N 115.265 -0.88 . . . . 0.0 109.97 178.969 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 52' ' ' PRO . . . . . . . . . . . . . 17.9 Cg_endo -60.17 -34.88 93.87 Favored 'Trans proline' 0 C--N 1.341 0.159 0 C-N-CA 122.475 2.117 . . . . 0.0 111.684 178.723 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 53' ' ' MET . . . . . . . . . . . . . 63.4 mtt -75.32 -22.66 57.49 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 115.814 -0.63 . . . . 0.0 110.37 179.39 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 54' ' ' GLN . . . . . 0.538 ' O ' ' HB3' ' A' ' 57' ' ' GLU . 39.9 tt0 -87.31 -25.07 24.09 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-O 121.248 0.546 . . . . 0.0 109.663 178.858 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 38.2 tp -66.35 -30.68 71.13 Favored 'General case' 0 C--N 1.324 -0.522 0 N-CA-C 108.4 -0.963 . . . . 0.0 108.4 169.256 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 3.0 tm? -68.92 -35.35 76.73 Favored 'General case' 0 C--O 1.224 -0.242 0 CA-C-N 115.416 -0.811 . . . . 0.0 109.414 173.022 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 57' ' ' GLU . . . . . 0.538 ' HB3' ' O ' ' A' ' 54' ' ' GLN . 8.7 tp10 -56.02 -35.63 67.05 Favored 'General case' 0 CA--C 1.535 0.383 0 CA-C-O 120.788 0.327 . . . . 0.0 110.196 175.206 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 58' ' ' VAL . . . . . 0.637 ' O ' ' HB3' ' A' ' 61' ' ' ARG . 72.1 t -64.26 -56.84 14.2 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.272 0 CA-C-O 121.394 0.616 . . . . 0.0 111.01 174.521 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 59' ' ' ILE . . . . . 0.564 HG23 ' HB1' ' A' ' 71' ' ' ALA . 1.7 mp -60.07 -39.86 81.62 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.652 0 CA-C-N 115.834 -0.621 . . . . 0.0 110.725 -179.022 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 51.5 ttp85 -73.22 -20.36 60.88 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-N 115.86 -0.609 . . . . 0.0 110.547 -179.796 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 61' ' ' ARG . . . . . 0.637 ' HB3' ' O ' ' A' ' 58' ' ' VAL . 24.3 tpt180 -62.95 -45.04 94.34 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 115.92 -0.582 . . . . 0.0 109.489 172.238 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 62' ' ' PHE . . . . . . . . . . . . . 98.6 m-85 -70.78 -31.9 68.84 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 115.747 -0.66 . . . . 0.0 110.639 175.565 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 36.1 tt0 -56.86 -40.05 75.43 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 115.803 -0.635 . . . . 0.0 111.056 178.819 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 22.5 t70 -56.5 -38.02 71.21 Favored 'General case' 0 N--CA 1.464 0.235 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.124 -179.937 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 67.2 mtm-85 -92.7 7.36 43.86 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.919 -177.692 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 72.85 15.71 78.16 Favored Glycine 0 N--CA 1.45 -0.419 0 C-N-CA 121.017 -0.611 . . . . 0.0 112.787 177.677 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 67' ' ' ALA . . . . . 0.595 ' HB1' ' HB2' ' A' ' 70' ' ' ARG . . . -84.13 79.19 9.6 Favored 'General case' 0 C--N 1.322 -0.604 0 CA-C-O 120.988 0.423 . . . . 0.0 110.334 -179.234 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 68' ' ' MET . . . . . 0.437 ' HA ' ' CE ' ' A' ' 68' ' ' MET . 14.5 mmt -70.08 -48.35 58.11 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-N 115.971 -0.558 . . . . 0.0 110.928 -176.016 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 42.3 mt-10 -63.41 -43.27 98.01 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 116.543 -0.299 . . . . 0.0 110.846 179.162 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 70' ' ' ARG . . . . . 0.595 ' HB2' ' HB1' ' A' ' 67' ' ' ALA . 58.4 mtt-85 -65.91 -36.68 84.07 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.593 -0.276 . . . . 0.0 111.074 179.448 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 71' ' ' ALA . . . . . 0.564 ' HB1' HG23 ' A' ' 59' ' ' ILE . . . -61.27 -47.95 83.65 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 121.138 0.494 . . . . 0.0 110.777 178.08 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 72' ' ' ASN . . . . . . . . . . . . . 58.2 m-80 -72.1 -30.69 65.33 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.862 179.576 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 28.3 ttpt -69.84 -33.1 71.84 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.315 -0.402 . . . . 0.0 109.977 176.614 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -62.13 -49.23 76.7 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.034 -0.53 . . . . 0.0 109.735 173.105 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 75' ' ' ARG . . . . . 0.403 ' HG3' ' CD1' ' A' ' 99' ' ' LEU . 6.5 ttm180 -56.38 -49.84 73.29 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-N 115.611 -0.722 . . . . 0.0 110.839 178.76 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 47.1 ttm-85 -58.76 -46.47 87.39 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 115.849 -0.614 . . . . 0.0 111.012 -176.708 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 77' ' ' ARG . . . . . 0.687 ' HE ' HD11 ' A' ' 30' ' ' LEU . 46.5 mtt85 -72.65 -37.87 67.86 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 116.054 -0.521 . . . . 0.0 111.628 -177.792 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 78' ' ' CYS . . . . . . . . . . . . . 82.6 m -60.44 -44.6 95.65 Favored 'General case' 0 C--N 1.327 -0.41 0 N-CA-C 109.328 -0.619 . . . . 0.0 109.328 173.376 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . -58.5 -35.48 80.22 Favored Glycine 0 N--CA 1.447 -0.591 0 CA-C-N 115.798 -0.637 . . . . 0.0 112.444 176.925 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 41.4 tt0 -69.12 -37.5 78.38 Favored 'General case' 0 C--N 1.332 -0.174 0 N-CA-C 109.993 -0.373 . . . . 0.0 109.993 177.886 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 81' ' ' VAL . . . . . 0.49 HG23 ' O ' ' A' ' 77' ' ' ARG . 68.8 t -64.23 -44.35 97.41 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.176 -0.465 . . . . 0.0 109.968 175.159 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 82' ' ' PHE . . . . . 0.485 ' HB3' ' HB3' ' A' ' 94' ' ' ASN . 45.9 m-85 -58.43 -46.48 86.41 Favored 'General case' 0 N--CA 1.462 0.143 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.366 174.334 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 83' ' ' ARG . . . . . 0.519 ' O ' HG23 ' A' ' 87' ' ' VAL . 37.3 ttt180 -56.19 -50.11 72.14 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 115.802 -0.636 . . . . 0.0 110.474 177.28 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 84' ' ' TYR . . . . . . . . . . . . . 53.1 t80 -61.16 -37.41 82.78 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 115.825 -0.625 . . . . 0.0 110.709 -179.393 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 85' ' ' ALA . . . . . 0.473 ' HA ' HG22 ' A' ' 88' ' ' THR . . . -65.16 -36.35 83.94 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.294 -0.412 . . . . 0.0 111.06 177.708 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 86' ' ' ILE . . . . . 0.477 HG13 ' O ' ' A' ' 82' ' ' PHE . 76.4 mt -68.71 -34.87 67.17 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 CA-C-O 121.018 0.437 . . . . 0.0 110.155 177.131 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 87' ' ' VAL . . . . . 0.519 HG23 ' O ' ' A' ' 83' ' ' ARG . 76.4 t -68.19 -44.64 84.03 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.399 0 CA-C-N 116.065 -0.516 . . . . 0.0 110.925 178.403 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 88' ' ' THR . . . . . 0.484 HG23 ' HG3' ' A' ' 90' ' ' ARG . 9.8 t -78.98 -11.68 60.01 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.819 0.342 . . . . 0.0 111.139 -179.97 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . 88.8 19.33 51.91 Favored Glycine 0 N--CA 1.451 -0.36 0 C-N-CA 120.758 -0.734 . . . . 0.0 113.77 174.157 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 90' ' ' ARG . . . . . 0.484 ' HG3' HG23 ' A' ' 88' ' ' THR . 74.3 mtt180 -88.91 -18.17 28.07 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-N 117.152 0.476 . . . . 0.0 110.287 178.813 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . -137.61 158.07 45.17 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 115.862 -0.608 . . . . 0.0 109.829 177.497 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 88.1 tttt -106.18 -50.17 3.21 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-O 121.036 0.445 . . . . 0.0 110.504 -179.987 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 93' ' ' TYR . . . . . . . . . . . . . 0.0 OUTLIER -127.2 143.18 51.31 Favored 'General case' 0 C--N 1.323 -0.568 0 CA-C-N 115.905 -0.589 . . . . 0.0 109.93 -178.961 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 94' ' ' ASN . . . . . 0.485 ' HB3' ' HB3' ' A' ' 82' ' ' PHE . 17.6 p-10 -102.22 125.11 37.46 Favored Pre-proline 0 C--N 1.323 -0.57 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.159 179.516 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 95' ' ' PRO . . . . . . . . . . . . . 57.9 Cg_endo -71.9 36.02 0.31 Allowed 'Trans proline' 0 CA--C 1.532 0.394 0 C-N-CA 123.128 2.552 . . . . 0.0 113.085 -178.946 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 96' ' ' ALA . . . . . 0.535 ' N ' ' HD2' ' A' ' 97' ' ' PRO . . . -70.56 -48.1 17.31 Favored Pre-proline 0 CA--C 1.537 0.463 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.576 179.961 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 97' ' ' PRO . . . . . 0.535 ' HD2' ' N ' ' A' ' 96' ' ' ALA . 19.5 Cg_endo -60.03 -38.93 74.61 Favored 'Trans proline' 0 C--N 1.357 1.014 0 C-N-CA 121.779 1.652 . . . . 0.0 111.637 174.903 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 6.6 m-20 -66.42 -37.8 86.0 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 115.756 -0.657 . . . . 0.0 110.474 177.64 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 99' ' ' LEU . . . . . 0.409 HD13 ' C ' ' A' ' 99' ' ' LEU . 2.6 tm? -58.83 -50.06 75.37 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.011 -0.54 . . . . 0.0 110.024 175.823 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 100' ' ' ALA . . . . . 0.464 ' O ' ' HG3' ' A' ' 104' ' ' LYS . . . -62.18 -44.66 96.09 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.077 -0.511 . . . . 0.0 110.815 -179.315 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 38.3 t70 -65.25 -40.78 94.45 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.033 -0.53 . . . . 0.0 111.036 -179.235 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -64.93 -42.76 94.4 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 115.946 -0.57 . . . . 0.0 110.456 177.939 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 103' ' ' MET . . . . . . . . . . . . . 44.0 ttm -53.23 -38.26 62.79 Favored 'General case' 0 C--N 1.331 -0.2 0 CA-C-O 121.108 0.48 . . . . 0.0 110.65 177.579 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 104' ' ' LYS . . . . . 0.464 ' HG3' ' O ' ' A' ' 100' ' ' ALA . 84.6 mttt -72.21 -56.82 4.89 Favored 'General case' 0 C--N 1.322 -0.623 0 CA-C-N 115.851 -0.613 . . . . 0.0 111.026 179.576 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 105' ' ' GLY . . . . . . . . . . . . . . . -67.19 -35.39 88.31 Favored Glycine 0 CA--C 1.518 0.25 0 CA-C-N 115.914 -0.584 . . . . 0.0 113.562 -174.374 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 106' ' ' TYR . . . . . . . . . . . . . 42.7 t80 -64.99 -27.33 68.76 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-O 120.998 0.428 . . . . 0.0 111.128 -176.44 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 107' ' ' ARG . . . . . . . . . . . . . 74.9 mtm180 -73.07 -20.74 60.9 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 116.53 -0.304 . . . . 0.0 111.208 -179.954 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 108' ' ' LYS . . . . . . . . . . . . . 42.9 mmtm -79.63 -46.23 17.61 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-O 120.862 0.363 . . . . 0.0 110.126 175.881 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 109' ' ' LYS . . . . . . . . . . . . . 54.7 tttm -146.77 134.0 20.57 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 115.949 -0.569 . . . . 0.0 110.622 179.312 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 110' ' ' ASN . . . . . . . . . . . . . 20.7 m-80 -69.12 135.93 51.46 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 115.998 -0.546 . . . . 0.0 109.73 174.256 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 111' ' ' LEU . . . . . . . . . . . . . 80.8 mt -98.1 110.9 23.4 Favored 'General case' 0 C--N 1.319 -0.743 0 CA-C-N 116.357 -0.383 . . . . 0.0 110.132 -179.719 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 112' ' ' GLU . . . . . . . . . . . . . 3.5 mp0 -63.16 102.65 0.4 Allowed 'General case' 0 C--N 1.325 -0.463 0 CA-C-N 115.499 -0.773 . . . . 0.0 111.672 -175.976 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 113' ' ' HIS . . . . . . . . . . . . . 26.8 m170 -109.83 96.91 6.55 Favored 'General case' 0 C--N 1.321 -0.655 0 N-CA-C 108.806 -0.812 . . . . 0.0 108.806 171.695 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 114' ' ' HIS . . . . . . . . . . . . . 3.8 t60 -71.9 -34.38 69.08 Favored 'General case' 0 C--N 1.322 -0.592 0 N-CA-C 109.865 -0.42 . . . . 0.0 109.865 -176.284 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 115' ' ' HIS . . . . . . . . . . . . . 23.4 m-70 -94.69 106.63 18.62 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 116.071 -0.513 . . . . 0.0 109.962 175.723 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 116' ' ' HIS . . . . . . . . . . . . . 71.6 m80 -91.22 127.69 36.75 Favored 'General case' 0 C--N 1.319 -0.733 0 CA-C-N 116.139 -0.482 . . . . 0.0 109.861 178.999 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 117' ' ' HIS . . . . . . . . . . . . . 2.9 m170 -78.64 128.24 33.21 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-O 120.876 0.369 . . . . 0.0 111.16 -178.895 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 118' ' ' HIS . . . . . . . . . . . . . 90.4 m-70 . . . . . 0 C--O 1.247 0.922 0 CA-C-O 118.607 -0.711 . . . . 0.0 109.972 177.233 . . . . . . . . 0 0 . 1 stop_ save_