data_2pac_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 2pac _Structure_validation_residue.Date_analyzed 2016-10-08 loop_ _Residue_analysis_software.Software_ID _Residue_analysis_software.Software_label _Residue_analysis_software.Method_ID _Residue_analysis_software.Method_label _Residue_analysis_software.Entry_ID _Residue_analysis_software.Structure_validation_oneline_list_ID 1 MolProbity . . ? 1 2 CYRANGE . . ? 1 stop_ loop_ _Residue_analysis.ID _Residue_analysis.PDB_model_num _Residue_analysis.Hydrogen_positions _Residue_analysis.MolProbity_flips _Residue_analysis.Cyrange_core_flag _Residue_analysis.Two_letter_chain_ID _Residue_analysis.PDB_strand_ID _Residue_analysis.PDB_residue_no _Residue_analysis.PDB_ins_code _Residue_analysis.PDB_residue_name _Residue_analysis.Assembly_ID _Residue_analysis.Entity_assembly_ID _Residue_analysis.Entity_ID _Residue_analysis.Comp_ID _Residue_analysis.Comp_index_ID _Residue_analysis.Clash_value _Residue_analysis.Clash_source_PDB_atom_name _Residue_analysis.Clash_destination_PDB_atom_name _Residue_analysis.Clash_destination_PDB_strand_ID _Residue_analysis.Clash_destination_PDB_residue_no _Residue_analysis.Clash_destination_PDB_ins_code _Residue_analysis.Clash_destination_PDB_residue_name _Residue_analysis.Cbeta_deviation_value _Residue_analysis.Rotamer_score _Residue_analysis.Rotamer_name _Residue_analysis.Ramachandran_phi _Residue_analysis.Ramachandran_psi _Residue_analysis.Ramachandran_score _Residue_analysis.Ramachandran_evaluation _Residue_analysis.Ramachandran_type _Residue_analysis.Bond_outlier_count _Residue_analysis.Worst_bond _Residue_analysis.Worst_bond_value _Residue_analysis.Worst_bond_sigma _Residue_analysis.Angle_outlier_count _Residue_analysis.Worst_angle _Residue_analysis.Worst_angle_value _Residue_analysis.Worst_angle_sigma _Residue_analysis.RNA_phosphate_perpendicular_outlier _Residue_analysis.RNA_suitness_score _Residue_analysis.RNA_suite_conformer _Residue_analysis.RNA_suite_triage _Residue_analysis.Max_b_factor _Residue_analysis.Tau_angle _Residue_analysis.Omega_dihedral _Residue_analysis.Disulfide_chi1 _Residue_analysis.Disulfide_chi2 _Residue_analysis.Disulfide_chi3 _Residue_analysis.Disulfide_ss_angle _Residue_analysis.Disulfide_ss _Residue_analysis.Disulfide_ss_angle_prime _Residue_analysis.Disulfide_chi2prime _Residue_analysis.Disulfide_chi1prime _Residue_analysis.Outlier_count_separate_geometry _Residue_analysis.Outlier_count _Residue_analysis.Entry_ID _Residue_analysis.Structure_validation_residue_list_ID . 001 nuclear orig core ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 . . . . . 0 N--CA 1.453 -0.305 0 N-CA-C 109.118 -0.697 . . . . 0.0 109.118 . . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' A' A ' 3' ' ' PRO . . . . . . . . . . . . . 16.6 Cg_endo -77.42 -14.72 16.12 Favored 'Trans proline' 0 C--N 1.359 1.101 0 O-C-N 124.571 1.827 . . . . 0.0 111.947 -179.354 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 9.2 pt-20 -80.8 -28.16 36.37 Favored 'General case' 0 C--N 1.323 -0.555 0 O-C-N 124.707 1.254 . . . . 0.0 108.925 179.026 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 43.0 t -83.63 -29.18 7.6 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.435 0 CA-C-N 114.284 -1.325 . . . . 0.0 108.194 178.662 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 11.0 mt -81.87 -27.7 33.35 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.73 1.269 . . . . 0.0 108.833 179.328 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 7' ' ' PHE . . . . . 0.503 ' CE1' ' CE1' ' A' ' 27' ' ' TYR . 0.5 OUTLIER -69.65 -23.47 63.48 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.809 1.318 . . . . 0.0 110.283 179.54 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -105.03 0.43 27.62 Favored 'General case' 0 N--CA 1.45 -0.432 0 O-C-N 124.317 1.01 . . . . 0.0 111.689 -179.628 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -94.38 -8.79 37.74 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.22 0.95 . . . . 0.0 112.031 -178.619 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -109.41 -91.75 0.44 Allowed 'General case' 0 C--N 1.323 -0.58 0 O-C-N 124.234 0.959 . . . . 0.0 108.945 -179.835 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -169.75 26.81 0.11 Allowed Glycine 0 CA--C 1.528 0.85 0 O-C-N 124.481 1.113 . . . . 0.0 112.103 179.868 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 11.4 m -66.9 -50.4 62.56 Favored 'General case' 0 N--CA 1.449 -0.509 0 N-CA-C 108.615 -0.883 . . . . 0.0 108.615 179.864 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 0.4 OUTLIER -62.43 -4.92 1.18 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.718 1.261 . . . . 0.0 113.823 -177.523 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -52.82 -28.74 24.03 Favored 'General case' 0 C--N 1.324 -0.535 0 O-C-N 125.501 1.75 . . . . 0.0 107.934 178.277 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 1.8 p -163.13 20.29 0.08 Allowed 'General case' 0 C--O 1.238 0.49 0 O-C-N 124.927 1.392 . . . . 0.0 112.594 -179.504 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 16' ' ' HIS . . . . . 0.4 ' ND1' ' CE1' ' A' ' 27' ' ' TYR . 3.7 m-70 -100.33 -69.0 0.79 Allowed 'General case' 0 N--CA 1.451 -0.41 0 N-CA-C 113.486 0.921 . . . . 0.0 113.486 -179.032 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . 70.24 151.73 0.1 Allowed 'General case' 0 CA--C 1.539 0.527 0 N-CA-C 108.504 -0.924 . . . . 0.0 108.504 -177.702 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 18' ' ' ILE . . . . . 0.477 ' N ' ' CD1' ' A' ' 18' ' ' ILE . 2.6 mm -99.39 33.8 0.29 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 N-CA-C 107.121 -1.437 . . . . 0.0 107.121 -179.656 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER 174.51 9.83 0.0 OUTLIER 'General case' 0 C--O 1.243 0.755 0 N-CA-C 116.819 2.155 . . . . 0.0 116.819 178.976 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -142.22 163.64 32.31 Favored 'General case' 0 C--N 1.323 -0.572 0 CA-C-N 118.522 0.601 . . . . 0.0 111.304 178.945 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 23.5 tttt -113.19 149.6 33.46 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.517 1.136 . . . . 0.0 110.174 -179.525 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 22' ' ' MET . . . . . . . . . . . . . 0.8 OUTLIER -157.55 -85.2 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.484 0 CA-C-N 114.711 -1.131 . . . . 0.0 109.715 179.562 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 17.4 t -108.97 -50.61 7.05 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.513 0 N-CA-C 107.471 -1.307 . . . . 0.0 107.471 177.862 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -95.73 168.27 26.27 Favored Glycine 0 CA--C 1.536 1.344 0 N-CA-C 110.016 -1.234 . . . . 0.0 110.016 178.593 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 25' ' ' PRO . . . . . . . . . . . . . 73.8 Cg_endo -71.69 143.03 40.99 Favored 'Trans proline' 0 C--N 1.358 1.043 0 C-N-CA 122.156 1.904 . . . . 0.0 112.111 -179.23 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -68.04 126.44 29.48 Favored 'General case' 0 CA--C 1.544 0.717 0 N-CA-C 105.276 -2.12 . . . . 0.0 105.276 175.2 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 27' ' ' TYR . . . . . 0.516 ' CE2' ' CE3' ' A' ' 77' ' ' TRP . 10.9 m-85 -58.3 -41.46 84.49 Favored 'General case' 0 C--N 1.321 -0.64 0 O-C-N 125.524 1.765 . . . . 0.0 109.333 -179.309 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 1.7 ttpm? -67.04 -30.06 70.03 Favored 'General case' 0 CA--C 1.536 0.438 0 O-C-N 125.292 1.62 . . . . 0.0 109.813 179.901 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 11.7 m-20 -71.9 -32.63 67.6 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.817 1.323 . . . . 0.0 109.111 179.652 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 3.8 t -64.01 -33.5 62.62 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.52 0 N-CA-C 107.151 -1.426 . . . . 0.0 107.151 178.713 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -72.29 -30.77 65.13 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 114.205 -1.361 . . . . 0.0 108.974 179.055 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -90.78 14.22 14.15 Favored 'General case' 0 C--N 1.328 -0.354 0 O-C-N 124.555 1.159 . . . . 0.0 111.386 -179.256 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -124.49 -78.8 0.6 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.466 1.104 . . . . 0.0 108.547 178.777 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 0.5 OUTLIER -49.17 -65.63 0.53 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.749 1.281 . . . . 0.0 109.503 178.745 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . 37.18 86.98 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.508 0 N-CA-C 114.22 1.192 . . . . 0.0 114.22 177.688 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 86.7 37.04 8.87 Favored Glycine 0 CA--C 1.53 0.974 0 O-C-N 124.038 0.837 . . . . 0.0 111.416 178.891 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -135.09 79.98 1.82 Allowed 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.631 0.842 . . . . 0.0 110.052 179.964 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -111.54 90.45 3.34 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 114.835 -1.075 . . . . 0.0 109.679 -179.66 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . -135.37 10.99 4.38 Favored Glycine 0 CA--C 1.529 0.918 0 O-C-N 124.515 1.134 . . . . 0.0 111.809 179.587 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -131.2 -105.14 0.27 Allowed 'General case' 0 C--N 1.325 -0.466 0 N-CA-C 108.611 -0.885 . . . . 0.0 108.611 179.712 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 4.2 tt0 84.98 -35.57 0.05 Allowed 'General case' 0 C--N 1.323 -0.586 0 O-C-N 124.319 1.012 . . . . 0.0 111.247 -179.866 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -86.81 -44.96 11.33 Favored 'General case' 0 C--N 1.324 -0.539 0 O-C-N 124.397 1.061 . . . . 0.0 108.436 179.284 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 8.6 tt0 -87.05 -4.84 59.19 Favored 'General case' 0 CA--C 1.541 0.606 0 O-C-N 125.111 1.507 . . . . 0.0 110.96 179.053 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -87.97 -33.92 18.25 Favored 'General case' 0 C--N 1.322 -0.604 0 N-CA-C 106.368 -1.715 . . . . 0.0 106.368 176.856 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -78.88 -24.32 44.29 Favored 'General case' 0 CA--C 1.54 0.563 0 CA-C-N 114.101 -1.408 . . . . 0.0 107.308 176.346 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 46' ' ' GLN . . . . . . . . . . . . . 29.4 tp60 -71.41 -21.76 61.95 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 114.06 -1.427 . . . . 0.0 109.44 179.653 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 5.5 mpt_? -76.39 -35.37 58.65 Favored 'General case' 0 CA--C 1.539 0.531 0 O-C-N 125.209 1.568 . . . . 0.0 107.994 177.417 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 14.9 mt -70.82 -8.37 10.88 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.397 0 O-C-N 125.173 1.546 . . . . 0.0 110.283 178.701 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 1.3 tttt -129.83 3.05 4.9 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.293 0.996 . . . . 0.0 112.038 -178.946 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -144.98 7.47 1.2 Allowed 'General case' 0 N--CA 1.451 -0.409 0 O-C-N 124.157 0.911 . . . . 0.0 112.31 -179.225 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 80.27 152.0 7.64 Favored Glycine 0 CA--C 1.531 1.043 0 O-C-N 124.115 0.885 . . . . 0.0 111.311 179.536 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -72.77 -165.56 0.22 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.536 0.786 . . . . 0.0 110.086 179.971 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 4.1 mm100 -114.4 -30.97 6.4 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.583 1.177 . . . . 0.0 110.507 -179.778 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 118.47 97.05 1.8 Allowed Glycine 0 CA--C 1.531 1.05 0 O-C-N 124.39 1.056 . . . . 0.0 110.887 -179.916 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 18.0 t -128.22 -43.32 0.91 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.5 0.764 . . . . 0.0 109.96 -179.816 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 56' ' ' TRP . . . . . 0.443 ' CD1' ' N ' ' A' ' 56' ' ' TRP . 0.0 OUTLIER -110.41 -30.92 7.47 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.452 1.095 . . . . 0.0 108.215 179.932 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -138.93 143.55 14.25 Favored Glycine 0 CA--C 1.53 0.988 0 O-C-N 124.483 1.115 . . . . 0.0 110.962 -179.934 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 58' ' ' PRO . . . . . . . . . . . . . 44.1 Cg_endo -83.08 15.06 2.18 Favored 'Trans proline' 0 C--N 1.36 1.148 0 O-C-N 124.333 1.702 . . . . 0.0 112.555 -179.508 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 59' ' ' ILE . . . . . . . . . . . . . 0.5 OUTLIER -119.05 95.84 49.67 Favored Pre-proline 0 C--N 1.325 -0.474 0 O-C-N 124.288 0.993 . . . . 0.0 109.782 -179.704 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 60' ' ' PRO . . . . . . . . . . . . . 1.6 Cg_endo -52.93 148.51 29.31 Favored 'Trans proline' 0 C--N 1.363 1.307 0 O-C-N 124.487 1.783 . . . . 0.0 110.713 179.396 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 61' ' ' MET . . . . . . . . . . . . . 0.9 OUTLIER -78.01 140.19 61.92 Favored Pre-proline 0 C--N 1.325 -0.471 0 O-C-N 124.682 1.239 . . . . 0.0 112.041 -179.319 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 62' ' ' PRO . . . . . . . . . . . . . 34.5 Cg_exo -41.33 109.51 0.11 Allowed 'Trans proline' 0 C--N 1.362 1.276 0 O-C-N 124.603 1.844 . . . . 0.0 112.386 -178.757 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 63' ' ' PRO . . . . . . . . . . . . . 1.7 Cg_endo -68.18 154.48 72.25 Favored 'Trans proline' 0 C--N 1.362 1.254 0 O-C-N 124.367 1.72 . . . . 0.0 110.707 179.611 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 7.5 m120 72.35 134.91 0.04 OUTLIER 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.639 1.212 . . . . 0.0 109.494 -179.949 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -170.27 -42.54 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.472 0 CA-C-N 114.901 -1.045 . . . . 0.0 109.058 -179.985 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 15.6 m -141.01 -146.73 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.423 0 O-C-N 124.457 1.098 . . . . 0.0 108.897 179.722 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 30.8 t -98.84 -92.44 0.26 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.485 1.116 . . . . 0.0 110.004 -179.995 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 3.3 t0 -172.25 34.46 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.406 1.066 . . . . 0.0 109.253 179.984 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 21.7 t0 -130.77 -56.93 1.05 Allowed 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.524 1.14 . . . . 0.0 108.531 179.395 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 3.3 mm-40 -60.37 -23.38 64.25 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.767 1.292 . . . . 0.0 109.43 178.87 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -84.99 -42.13 15.19 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.652 1.22 . . . . 0.0 108.66 179.247 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 33.3 tt0 -50.81 -30.17 13.57 Favored 'General case' 0 C--N 1.326 -0.414 0 O-C-N 124.652 1.22 . . . . 0.0 110.654 179.902 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 2.9 m -72.83 -51.15 19.98 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.448 1.092 . . . . 0.0 110.502 179.997 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -74.16 -2.47 24.81 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.451 1.095 . . . . 0.0 110.558 179.651 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -90.32 -23.36 21.16 Favored 'General case' 0 C--N 1.324 -0.533 0 O-C-N 124.201 0.938 . . . . 0.0 110.34 -179.213 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 5.4 tptt -95.28 -17.77 21.39 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.201 0.938 . . . . 0.0 109.191 179.856 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 77' ' ' TRP . . . . . 0.516 ' CE3' ' CE2' ' A' ' 27' ' ' TYR . 28.2 t90 -72.14 -39.8 68.53 Favored 'General case' 0 C--N 1.324 -0.525 0 N-CA-C 107.161 -1.422 . . . . 0.0 107.161 179.017 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -59.76 -63.05 0.8 Allowed 'Isoleucine or valine' 0 CA--C 1.548 0.891 0 O-C-N 125.058 1.474 . . . . 0.0 107.228 178.929 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -56.08 -26.48 49.69 Favored 'General case' 0 N--CA 1.45 -0.445 0 CA-C-N 114.511 -1.222 . . . . 0.0 111.361 -179.505 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 5.0 m -118.56 62.05 0.78 Allowed 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.779 1.299 . . . . 0.0 111.486 -178.781 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 81' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -107.45 152.24 24.47 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.551 1.157 . . . . 0.0 109.266 178.693 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 C--N 1.325 -0.496 0 O-C-N 124.504 1.128 . . . . 0.0 109.333 -179.65 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 7.3 m-20 . . . . . 0 N--CA 1.455 -0.222 0 N-CA-C 108.953 -0.758 . . . . 0.0 108.953 . . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 3' ' ' PRO . . . . . . . . . . . . . 42.0 Cg_endo -82.81 -21.85 4.68 Favored 'Trans proline' 0 C--N 1.359 1.088 0 O-C-N 124.435 1.755 . . . . 0.0 110.007 -179.996 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 2.2 mt-10 -82.42 -24.15 34.51 Favored 'General case' 0 C--N 1.324 -0.538 0 O-C-N 124.831 1.332 . . . . 0.0 109.091 178.243 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 2.2 t -85.12 -28.83 6.49 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.356 0 O-C-N 124.758 1.286 . . . . 0.0 108.39 178.798 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -81.84 -31.02 31.85 Favored 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.718 1.261 . . . . 0.0 108.339 178.912 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 7' ' ' PHE . . . . . 0.519 ' CG ' ' CH2' ' A' ' 77' ' ' TRP . 11.1 t80 -66.34 -24.72 66.57 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.821 1.326 . . . . 0.0 111.484 -179.94 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -98.69 -9.08 25.14 Favored 'General case' 0 C--N 1.326 -0.429 0 O-C-N 124.568 1.168 . . . . 0.0 111.694 -178.881 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 25.3 t-20 -88.93 -63.79 1.24 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.114 0.883 . . . . 0.0 111.509 -178.905 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 2.5 mmpp? -47.32 -36.15 8.99 Favored 'General case' 0 C--N 1.326 -0.421 0 O-C-N 124.117 0.886 . . . . 0.0 111.702 -178.613 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 115.19 26.15 3.58 Favored Glycine 0 CA--C 1.53 0.974 0 O-C-N 124.344 1.028 . . . . 0.0 111.127 -179.853 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 1.8 m -68.39 -48.56 64.37 Favored 'General case' 0 N--CA 1.447 -0.595 0 N-CA-C 108.255 -1.017 . . . . 0.0 108.255 179.965 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 0.3 OUTLIER -63.85 -6.22 2.36 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.983 1.427 . . . . 0.0 113.284 -177.687 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -52.76 -28.56 22.79 Favored 'General case' 0 CA--C 1.539 0.538 0 O-C-N 125.772 1.92 . . . . 0.0 108.031 179.295 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 5.9 p -157.44 17.71 0.27 Allowed 'General case' 0 N--CA 1.45 -0.448 0 O-C-N 124.904 1.377 . . . . 0.0 111.864 -179.328 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 16' ' ' HIS . . . . . 0.533 ' CE1' ' CD ' ' A' ' 25' ' ' PRO . 3.6 m-70 -99.61 -172.62 2.28 Favored 'General case' 0 CA--C 1.54 0.565 0 O-C-N 123.804 0.69 . . . . 0.0 110.699 -179.97 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . 179.09 156.23 0.49 Allowed 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 113.973 -1.467 . . . . 0.0 108.903 178.813 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 0.6 OUTLIER -95.28 -57.56 4.32 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.38 0 O-C-N 124.33 1.019 . . . . 0.0 111.789 -178.872 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 3.3 p-10 -100.49 5.52 44.14 Favored 'General case' 0 N--CA 1.45 -0.446 0 CA-C-N 115.463 -0.789 . . . . 0.0 113.053 -177.909 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -124.8 165.27 18.31 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.212 0.945 . . . . 0.0 110.435 179.63 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 2.2 ttmt -98.62 159.99 14.58 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.691 1.244 . . . . 0.0 110.12 -179.399 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 22' ' ' MET . . . . . . . . . . . . . 1.1 tpt -177.56 -145.93 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.468 0 CA-C-N 114.939 -1.028 . . . . 0.0 110.308 -179.899 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 3.1 t -68.67 -39.62 80.58 Favored 'Isoleucine or valine' 0 CA--C 1.541 0.612 0 N-CA-C 106.201 -1.778 . . . . 0.0 106.201 177.44 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -86.83 -178.16 49.17 Favored Glycine 0 CA--C 1.532 1.129 0 CA-C-N 113.789 -1.551 . . . . 0.0 110.266 178.668 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 25' ' ' PRO . . . . . 0.533 ' CD ' ' CE1' ' A' ' 16' ' ' HIS . 93.3 Cg_endo -102.16 139.65 0.17 Allowed 'Trans proline' 0 C--N 1.353 0.773 0 C-N-CA 122.798 2.332 . . . . 0.0 110.752 -178.26 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -57.82 114.39 2.28 Favored 'General case' 0 C--N 1.324 -0.542 0 N-CA-C 106.489 -1.671 . . . . 0.0 106.489 177.54 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 27' ' ' TYR . . . . . 0.635 ' CE2' ' CE3' ' A' ' 77' ' ' TRP . 3.8 m-85 -58.03 -21.98 47.79 Favored 'General case' 0 C--N 1.324 -0.535 0 O-C-N 124.797 1.311 . . . . 0.0 112.042 -177.705 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -74.53 -43.0 57.89 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.644 1.215 . . . . 0.0 108.859 179.585 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 12.7 m-20 -66.98 -34.05 76.91 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.882 1.364 . . . . 0.0 109.5 179.812 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 2.6 t -71.9 -31.45 40.88 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 N-CA-C 107.704 -1.221 . . . . 0.0 107.704 178.647 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -95.03 12.13 29.59 Favored 'General case' 0 C--N 1.328 -0.344 0 O-C-N 125.036 1.46 . . . . 0.0 110.31 179.831 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -124.56 5.31 8.26 Favored 'General case' 0 CA--C 1.54 0.578 0 O-C-N 123.949 0.781 . . . . 0.0 109.947 178.2 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 4.8 mmtm -122.4 -50.86 1.98 Allowed 'General case' 0 C--N 1.323 -0.579 0 N-CA-C 107.173 -1.417 . . . . 0.0 107.173 177.773 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 13.7 m-85 -93.91 -33.11 13.62 Favored 'General case' 0 CA--C 1.54 0.589 0 CA-C-N 114.343 -1.299 . . . . 0.0 108.85 177.174 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . 50.0 -157.84 0.09 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 125.203 1.565 . . . . 0.0 109.456 179.114 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . -88.21 39.98 3.1 Favored Glycine 0 CA--C 1.531 1.038 0 O-C-N 124.508 1.13 . . . . 0.0 110.859 179.665 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 1.5 mm-40 -66.25 -27.03 67.64 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.345 0.673 . . . . 0.0 109.408 179.332 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . 58.22 -179.84 0.07 Allowed 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 114.678 -1.146 . . . . 0.0 110.103 179.252 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 86.29 -23.03 10.4 Favored Glycine 0 CA--C 1.529 0.938 0 CA-C-N 114.718 -1.128 . . . . 0.0 111.971 -179.891 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -117.81 49.25 1.26 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.23 0.606 . . . . 0.0 109.649 -179.807 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 2.8 pt-20 -115.32 21.53 14.03 Favored 'General case' 0 C--N 1.324 -0.537 0 O-C-N 124.594 1.184 . . . . 0.0 109.927 179.2 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -101.59 -66.17 0.93 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.702 1.251 . . . . 0.0 109.111 -179.996 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -75.41 -1.56 24.49 Favored 'General case' 0 CA--C 1.54 0.577 0 O-C-N 124.647 1.217 . . . . 0.0 110.775 178.647 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -87.16 -34.9 18.89 Favored 'General case' 0 C--N 1.323 -0.565 0 N-CA-C 106.895 -1.52 . . . . 0.0 106.895 176.811 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -74.5 -24.58 59.01 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 125.137 1.523 . . . . 0.0 109.175 178.526 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 46' ' ' GLN . . . . . . . . . . . . . 3.6 mt-30 -81.15 -18.24 47.03 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.815 1.322 . . . . 0.0 109.982 -179.932 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 79.6 mtt180 -75.35 -32.07 60.76 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 125.074 1.484 . . . . 0.0 108.371 177.762 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 21.3 mt -76.76 -16.3 14.79 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.388 0 O-C-N 125.002 1.439 . . . . 0.0 109.925 178.711 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -114.52 -0.76 13.61 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.242 0.963 . . . . 0.0 112.809 -177.839 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 78.8 m-20 -134.91 -9.63 2.34 Favored 'General case' 0 N--CA 1.448 -0.542 0 O-C-N 124.379 1.05 . . . . 0.0 113.405 -179.192 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 74.72 126.86 0.17 Allowed Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.099 0.874 . . . . 0.0 110.98 179.933 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 14.1 t -112.12 166.97 10.78 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.355 0.679 . . . . 0.0 109.692 179.679 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -170.61 106.26 0.29 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.49 1.119 . . . . 0.0 110.465 -179.744 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 133.36 43.35 0.15 Allowed Glycine 0 CA--C 1.53 0.976 0 O-C-N 124.408 1.067 . . . . 0.0 111.165 179.871 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 22.0 t -131.39 -65.19 0.62 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.463 0.743 . . . . 0.0 109.128 179.98 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 56' ' ' TRP . . . . . . . . . . . . . 2.2 m95 -110.44 -43.05 3.95 Favored 'General case' 0 C--N 1.325 -0.46 0 N-CA-C 107.757 -1.201 . . . . 0.0 107.757 179.243 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -159.43 167.22 35.03 Favored Glycine 0 CA--C 1.531 1.055 0 O-C-N 124.666 1.228 . . . . 0.0 110.974 -179.9 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 58' ' ' PRO . . . . . . . . . . . . . 1.1 Cg_endo -68.21 -155.89 0.04 OUTLIER 'Trans proline' 0 C--N 1.36 1.159 0 O-C-N 124.495 1.787 . . . . 0.0 110.753 179.433 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 59' ' ' ILE . . . . . . . . . . . . . 0.5 OUTLIER 73.81 111.6 0.03 OUTLIER Pre-proline 0 C--N 1.325 -0.496 0 O-C-N 124.537 1.148 . . . . 0.0 109.267 179.92 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 60' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -76.83 122.98 6.58 Favored 'Trans proline' 0 C--N 1.36 1.178 0 O-C-N 124.425 1.75 . . . . 0.0 111.116 179.816 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 61' ' ' MET . . . . . . . . . . . . . 3.9 ttp -67.1 141.44 96.42 Favored Pre-proline 0 C--N 1.325 -0.478 0 O-C-N 124.484 1.115 . . . . 0.0 110.821 -179.97 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 62' ' ' PRO . . . . . . . . . . . . . 21.5 Cg_exo -47.33 107.32 0.12 Allowed 'Trans proline' 0 C--N 1.362 1.253 0 O-C-N 124.492 1.785 . . . . 0.0 111.58 -179.223 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 63' ' ' PRO . . . . . . . . . . . . . 14.8 Cg_endo -69.02 99.07 0.65 Allowed 'Trans proline' 0 C--N 1.361 1.187 0 O-C-N 124.408 1.741 . . . . 0.0 110.446 179.35 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER -65.26 -167.4 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.458 1.099 . . . . 0.0 109.677 -179.512 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -155.08 94.28 1.62 Allowed 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.426 1.079 . . . . 0.0 109.164 -179.992 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 0.6 OUTLIER -121.8 -143.22 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.323 -0.556 0 O-C-N 124.461 1.101 . . . . 0.0 109.147 -179.951 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 5.1 m -163.93 41.2 0.09 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.4 1.063 . . . . 0.0 110.189 -179.881 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 9.6 t70 70.17 148.38 0.07 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.468 1.105 . . . . 0.0 109.547 179.847 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 69' ' ' ASP . . . . . 0.426 ' O ' ' CB ' ' A' ' 70' ' ' GLU . 8.0 t0 69.77 88.05 0.11 Allowed 'General case' 0 CA--C 1.54 0.568 0 N-CA-C 107.817 -1.179 . . . . 0.0 107.817 -178.964 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 70' ' ' GLU . . . . . 0.426 ' CB ' ' O ' ' A' ' 69' ' ' ASP . 11.3 mm-40 140.37 -37.71 0.01 OUTLIER 'General case' 0 CA--C 1.559 1.317 0 N-CA-C 105.78 -1.933 . . . . 0.0 105.78 -177.811 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -97.47 -25.02 15.33 Favored 'General case' 0 CA--C 1.538 0.513 0 CA-C-N 112.609 -2.087 . . . . 0.0 107.137 175.966 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 11.2 tt0 -67.96 -36.95 80.94 Favored 'General case' 0 C--N 1.327 -0.382 0 O-C-N 125.029 1.456 . . . . 0.0 109.904 179.322 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -71.61 -45.1 63.11 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.45 1.094 . . . . 0.0 110.114 179.813 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -59.24 -41.37 88.58 Favored 'General case' 0 C--N 1.326 -0.421 0 O-C-N 124.554 1.159 . . . . 0.0 110.355 -179.547 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -66.86 -31.71 72.5 Favored 'General case' 0 N--CA 1.45 -0.449 0 O-C-N 124.304 1.003 . . . . 0.0 111.22 -179.047 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -76.6 -21.24 55.83 Favored 'General case' 0 C--N 1.323 -0.548 0 CA-C-N 115.055 -0.975 . . . . 0.0 109.381 -179.349 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 77' ' ' TRP . . . . . 0.635 ' CE3' ' CE2' ' A' ' 27' ' ' TYR . 36.3 t90 -79.47 -25.85 41.8 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.461 1.101 . . . . 0.0 108.967 -179.799 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -77.1 -52.33 16.91 Favored 'Isoleucine or valine' 0 CA--C 1.551 0.991 0 N-CA-C 106.394 -1.706 . . . . 0.0 106.394 177.802 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -50.67 -71.44 0.06 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 125.082 1.489 . . . . 0.0 108.887 179.17 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 2.1 p -96.42 133.62 40.61 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.811 1.32 . . . . 0.0 110.121 -179.885 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 81' ' ' GLN . . . . . . . . . . . . . 1.2 pp0? -92.13 -177.71 4.76 Favored 'General case' 0 C--N 1.327 -0.389 0 O-C-N 124.419 1.074 . . . . 0.0 110.21 179.994 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 22.7 tttt . . . . . 0 C--N 1.324 -0.51 0 O-C-N 124.54 1.15 . . . . 0.0 109.21 179.791 . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 11.2 m-20 . . . . . 0 N--CA 1.453 -0.315 0 N-CA-C 109.086 -0.709 . . . . 0.0 109.086 . . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 3' ' ' PRO . . . . . . . . . . . . . 20.2 Cg_endo -72.09 -12.89 28.45 Favored 'Trans proline' 0 C--N 1.36 1.172 0 O-C-N 124.562 1.822 . . . . 0.0 111.18 179.692 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 13.8 mt-10 -81.63 -27.38 34.17 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.608 1.192 . . . . 0.0 108.967 179.298 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 75.1 t -85.93 -23.37 7.03 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.537 0 O-C-N 124.925 1.39 . . . . 0.0 108.371 178.185 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -80.43 -40.59 26.05 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.542 1.151 . . . . 0.0 110.226 -179.775 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 7' ' ' PHE . . . . . 0.559 ' CB ' ' CZ3' ' A' ' 77' ' ' TRP . 4.6 t80 -72.36 -21.84 61.24 Favored 'General case' 0 C--N 1.327 -0.386 0 O-C-N 124.533 1.146 . . . . 0.0 111.635 -179.527 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 6.3 tptt -95.7 -7.73 36.56 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.681 1.238 . . . . 0.0 110.464 -179.614 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 11.7 t-20 -45.75 -74.69 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.066 0.854 . . . . 0.0 110.416 179.979 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 174.35 80.37 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.573 1.171 . . . . 0.0 109.635 179.874 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 174.15 -64.95 0.11 Allowed Glycine 0 CA--C 1.527 0.815 0 O-C-N 124.658 1.224 . . . . 0.0 113.052 179.731 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 12' ' ' CYS . . . . . 0.555 ' CB ' ' CD1' ' A' ' 7' ' ' PHE . 59.9 m -59.61 -60.41 3.88 Favored 'General case' 0 N--CA 1.449 -0.483 0 O-C-N 124.061 0.506 . . . . 0.0 110.813 -178.498 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 0.3 OUTLIER -63.97 -4.39 1.49 Allowed 'Isoleucine or valine' 0 CA--C 1.537 0.45 0 N-CA-C 113.793 1.034 . . . . 0.0 113.793 -177.178 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -53.58 -24.79 14.76 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 125.898 1.999 . . . . 0.0 108.54 179.447 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 1.6 p -165.35 21.55 0.05 OUTLIER 'General case' 0 C--O 1.238 0.493 0 O-C-N 125.089 1.493 . . . . 0.0 113.21 -179.328 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 2.0 m-70 -97.44 -74.34 0.58 Allowed 'General case' 0 C--N 1.326 -0.419 0 N-CA-C 115.544 1.683 . . . . 0.0 115.544 -178.028 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . 72.0 158.11 0.19 Allowed 'General case' 0 CA--C 1.541 0.6 0 N-CA-C 107.156 -1.424 . . . . 0.0 107.156 -175.601 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 1.1 pp -101.9 -53.25 7.69 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 O-C-N 124.273 0.983 . . . . 0.0 113.378 -177.963 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -93.54 11.75 27.59 Favored 'General case' 0 N--CA 1.452 -0.348 0 CA-C-N 115.412 -0.813 . . . . 0.0 111.49 -178.548 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -136.32 161.9 34.5 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.427 1.079 . . . . 0.0 110.052 179.028 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -130.1 128.67 42.34 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.75 1.281 . . . . 0.0 109.585 -179.539 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 22' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -130.21 -88.94 0.49 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.338 1.024 . . . . 0.0 110.122 179.545 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 1.5 t -96.52 -39.3 9.11 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 N-CA-C 107.713 -1.217 . . . . 0.0 107.713 178.251 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -105.09 168.13 15.5 Favored Glycine 0 CA--C 1.532 1.152 0 O-C-N 124.897 1.373 . . . . 0.0 111.065 179.919 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 25' ' ' PRO . . . . . . . . . . . . . 41.6 Cg_endo -67.84 156.07 67.39 Favored 'Trans proline' 0 N--CA 1.448 -1.159 0 C-N-CA 122.151 1.901 . . . . 0.0 112.081 -179.246 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -82.15 127.86 33.57 Favored 'General case' 0 C--N 1.324 -0.51 0 N-CA-C 106.59 -1.633 . . . . 0.0 106.59 176.867 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 27' ' ' TYR . . . . . 0.613 ' CE2' ' CZ3' ' A' ' 77' ' ' TRP . 8.6 m-85 -56.38 -32.16 64.5 Favored 'General case' 0 C--N 1.323 -0.565 0 O-C-N 124.911 1.382 . . . . 0.0 111.059 -178.373 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -69.34 -39.67 78.0 Favored 'General case' 0 CA--C 1.535 0.386 0 O-C-N 124.576 1.172 . . . . 0.0 109.521 179.773 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 5.6 m-20 -64.23 -34.42 78.06 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.638 1.211 . . . . 0.0 109.214 179.74 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 53.2 t -70.0 -35.09 62.63 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.363 0 CA-C-N 114.287 -1.324 . . . . 0.0 107.658 178.866 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -94.04 20.9 7.31 Favored 'General case' 0 CA--C 1.537 0.443 0 O-C-N 124.545 1.153 . . . . 0.0 108.893 177.767 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -120.44 -1.11 10.21 Favored 'General case' 0 CA--C 1.548 0.894 0 CA-C-N 114.59 -1.186 . . . . 0.0 108.665 176.863 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -122.45 -61.34 1.47 Allowed 'General case' 0 C--N 1.323 -0.55 0 O-C-N 124.824 1.327 . . . . 0.0 109.444 178.848 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 34' ' ' PHE . . . . . 0.516 ' N ' ' CD1' ' A' ' 34' ' ' PHE . 0.0 OUTLIER -105.37 30.41 5.68 Favored 'General case' 0 N--CA 1.444 -0.767 0 N-CA-C 114.424 1.268 . . . . 0.0 114.424 -179.72 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -73.05 -10.05 59.39 Favored 'General case' 0 CA--C 1.569 1.679 0 O-C-N 125.262 1.601 . . . . 0.0 107.525 173.401 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . -94.06 -39.81 4.75 Favored Glycine 0 CA--C 1.551 2.308 0 N-CA-C 105.511 -3.036 . . . . 0.0 105.511 171.561 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 37' ' ' GLN . . . . . 0.425 ' CG ' ' O ' ' A' ' 34' ' ' PHE . 2.3 mt-30 81.19 -164.67 0.02 OUTLIER 'General case' 0 N--CA 1.444 -0.729 0 N-CA-C 117.04 2.237 . . . . 0.0 117.04 173.761 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . 78.56 104.13 0.07 Allowed 'General case' 0 CA--C 1.541 0.603 0 N-CA-C 107.04 -1.467 . . . . 0.0 107.04 -177.095 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 162.92 -27.49 0.24 Allowed Glycine 0 CA--C 1.534 1.226 0 O-C-N 124.61 1.194 . . . . 0.0 110.132 -178.897 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -173.3 -91.71 0.01 OUTLIER 'General case' 0 N--CA 1.452 -0.373 0 O-C-N 125.297 1.234 . . . . 0.0 113.401 179.424 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 1.3 tt0 50.92 25.1 2.05 Favored 'General case' 0 CA--C 1.541 0.609 0 CA-C-O 121.708 0.766 . . . . 0.0 109.349 -177.321 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -141.79 -53.82 0.44 Allowed 'General case' 0 CA--C 1.544 0.74 0 N-CA-C 105.278 -2.119 . . . . 0.0 105.278 177.576 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 1.7 pt-20 -85.33 3.93 37.47 Favored 'General case' 0 CA--C 1.54 0.575 0 O-C-N 125.764 1.915 . . . . 0.0 109.596 174.984 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -88.4 -38.28 15.2 Favored 'General case' 0 CA--C 1.543 0.685 0 N-CA-C 106.018 -1.845 . . . . 0.0 106.018 176.236 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -71.29 -26.29 62.8 Favored 'General case' 0 C--N 1.327 -0.412 0 O-C-N 125.377 1.673 . . . . 0.0 108.247 177.605 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 46' ' ' GLN . . . . . . . . . . . . . 1.4 mt-30 -79.99 -18.19 50.93 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 114.502 -1.226 . . . . 0.0 110.485 -179.936 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -76.03 -32.98 59.62 Favored 'General case' 0 CA--C 1.542 0.654 0 O-C-N 125.077 1.486 . . . . 0.0 107.683 177.27 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 2.0 mt -63.21 -29.1 46.39 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.441 0 O-C-N 125.162 1.538 . . . . 0.0 109.115 178.82 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 2.9 ttpm? -114.92 6.44 15.37 Favored 'General case' 0 N--CA 1.45 -0.458 0 O-C-N 124.442 1.089 . . . . 0.0 113.434 -177.745 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 2.0 t-20 -148.41 13.48 0.96 Allowed 'General case' 0 N--CA 1.452 -0.345 0 O-C-N 123.957 0.786 . . . . 0.0 112.404 -179.231 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 70.34 146.32 0.32 Allowed Glycine 0 CA--C 1.531 1.043 0 O-C-N 124.227 0.955 . . . . 0.0 111.064 179.767 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -72.51 -19.44 61.53 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.475 0.75 . . . . 0.0 111.295 -179.609 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER 79.47 -8.13 1.63 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.373 1.045 . . . . 0.0 112.198 179.943 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 117.75 96.7 1.86 Allowed Glycine 0 CA--C 1.529 0.962 0 O-C-N 124.14 0.9 . . . . 0.0 111.474 179.75 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 11.7 t -122.61 -50.47 2.73 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.395 0.703 . . . . 0.0 109.162 179.683 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 56' ' ' TRP . . . . . . . . . . . . . 1.4 m95 -102.04 -54.59 2.67 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.571 1.17 . . . . 0.0 107.979 179.81 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -122.48 167.33 14.92 Favored Glycine 0 CA--C 1.53 1.028 0 O-C-N 124.565 1.166 . . . . 0.0 110.894 -179.826 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 58' ' ' PRO . . . . . . . . . . . . . 37.1 Cg_endo -85.28 24.04 0.79 Allowed 'Trans proline' 0 C--N 1.358 1.042 0 O-C-N 124.375 1.723 . . . . 0.0 112.454 179.832 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 59' ' ' ILE . . . . . . . . . . . . . 1.3 tt -110.58 87.55 6.67 Favored Pre-proline 0 C--N 1.326 -0.436 0 O-C-N 124.227 0.955 . . . . 0.0 109.202 179.925 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 60' ' ' PRO . . . . . . . . . . . . . 2.7 Cg_endo -49.28 136.68 31.32 Favored 'Trans proline' 0 C--N 1.36 1.172 0 O-C-N 124.526 1.803 . . . . 0.0 110.848 -179.47 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 61' ' ' MET . . . . . . . . . . . . . 5.8 ttp -74.34 125.73 89.62 Favored Pre-proline 0 C--N 1.325 -0.489 0 O-C-N 124.6 1.187 . . . . 0.0 110.64 179.862 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 62' ' ' PRO . . . . . . . . . . . . . 24.0 Cg_exo -47.7 121.23 5.43 Favored 'Trans proline' 0 C--N 1.36 1.178 0 O-C-N 124.514 1.797 . . . . 0.0 110.967 -179.214 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 63' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -70.52 159.03 54.21 Favored 'Trans proline' 0 C--N 1.36 1.176 0 O-C-N 124.239 1.652 . . . . 0.0 110.855 179.625 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER 70.64 110.76 0.06 Allowed 'General case' 0 C--N 1.324 -0.534 0 O-C-N 124.725 1.266 . . . . 0.0 109.418 -179.904 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -146.69 -47.67 0.19 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.449 1.093 . . . . 0.0 109.095 179.849 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 0.1 OUTLIER -149.26 154.0 10.1 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.425 0 O-C-N 124.468 1.105 . . . . 0.0 109.165 179.892 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 22.7 m -71.19 174.27 6.6 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.59 1.181 . . . . 0.0 109.907 -179.964 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 68' ' ' ASP . . . . . 0.421 ' O ' ' CB ' ' A' ' 69' ' ' ASP . 7.0 t70 -61.11 138.29 58.21 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.57 1.169 . . . . 0.0 109.064 179.913 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 69' ' ' ASP . . . . . 0.421 ' CB ' ' O ' ' A' ' 68' ' ' ASP . 9.3 t0 89.38 -39.41 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.602 1.189 . . . . 0.0 108.959 -178.944 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 35.0 mm-40 -74.78 -25.49 59.1 Favored 'General case' 0 C--N 1.323 -0.548 0 O-C-N 124.822 1.326 . . . . 0.0 108.687 177.76 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -89.71 -44.33 10.09 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-N 114.372 -1.286 . . . . 0.0 108.07 178.448 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 5.8 tt0 -51.84 -33.7 37.28 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.786 1.303 . . . . 0.0 110.68 179.657 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -68.89 -50.97 45.05 Favored 'General case' 0 C--N 1.327 -0.407 0 O-C-N 124.424 1.077 . . . . 0.0 109.893 179.695 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 4.2 mm? -70.86 -9.37 57.49 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.726 1.266 . . . . 0.0 110.781 -179.659 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -89.57 -31.21 17.7 Favored 'General case' 0 C--N 1.325 -0.457 0 N-CA-C 108.477 -0.935 . . . . 0.0 108.477 179.062 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 3.6 tttp -72.03 -48.31 45.45 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 125.001 1.438 . . . . 0.0 109.012 -179.786 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 77' ' ' TRP . . . . . 0.613 ' CZ3' ' CE2' ' A' ' 27' ' ' TYR . 72.0 t90 -66.16 -32.01 73.19 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.645 1.215 . . . . 0.0 108.107 -179.801 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 78' ' ' VAL . . . . . 0.418 ' CG1' ' N ' ' A' ' 79' ' ' LEU . 0.6 OUTLIER -58.85 -48.78 85.2 Favored 'Isoleucine or valine' 0 CA--C 1.547 0.848 0 N-CA-C 105.097 -2.186 . . . . 0.0 105.097 176.411 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 79' ' ' LEU . . . . . 0.418 ' N ' ' CG1' ' A' ' 78' ' ' VAL . 0.2 OUTLIER -99.63 34.53 2.21 Favored 'General case' 0 N--CA 1.452 -0.357 0 CA-C-N 112.848 -1.978 . . . . 0.0 113.342 -177.376 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 15.8 t -155.01 20.49 0.44 Allowed 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.306 1.003 . . . . 0.0 110.956 179.485 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 81' ' ' GLN . . . . . . . . . . . . . 1.5 pt20 42.34 -98.68 0.03 OUTLIER 'General case' 0 C--N 1.323 -0.544 0 O-C-N 124.705 1.253 . . . . 0.0 112.005 179.557 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.325 -0.499 0 O-C-N 124.345 1.028 . . . . 0.0 109.152 179.696 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER . . . . . 0 N--CA 1.452 -0.345 0 N-CA-C 109.297 -0.631 . . . . 0.0 109.297 . . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 3' ' ' PRO . . . . . . . . . . . . . 5.3 Cg_endo -73.39 -13.58 25.31 Favored 'Trans proline' 0 C--N 1.359 1.112 0 O-C-N 124.501 1.79 . . . . 0.0 111.601 -179.837 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 51.5 mt-10 -83.04 -28.03 29.89 Favored 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.796 1.31 . . . . 0.0 108.497 178.252 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 55.8 t -78.06 -31.76 16.86 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.398 0 CA-C-N 114.172 -1.376 . . . . 0.0 108.125 178.47 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -74.76 -39.29 61.89 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.859 1.349 . . . . 0.0 107.691 178.398 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 7' ' ' PHE . . . . . 0.547 ' CG ' ' CH2' ' A' ' 77' ' ' TRP . 14.6 t80 -60.52 -17.36 45.07 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 114.242 -1.345 . . . . 0.0 111.975 179.756 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 11.2 tptt -115.98 -13.24 11.27 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.16 0.912 . . . . 0.0 111.092 -178.999 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -62.37 -31.7 72.39 Favored 'General case' 0 N--CA 1.449 -0.5 0 N-CA-C 114.02 1.119 . . . . 0.0 114.02 -178.309 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -111.18 -88.39 0.52 Allowed 'General case' 0 C--N 1.326 -0.449 0 O-C-N 123.869 0.731 . . . . 0.0 112.012 -178.361 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -163.54 20.93 0.16 Allowed Glycine 0 CA--C 1.527 0.837 0 O-C-N 124.594 1.184 . . . . 0.0 113.969 -178.855 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 15.5 m -59.68 -52.92 63.45 Favored 'General case' 0 N--CA 1.448 -0.561 0 N-CA-C 108.285 -1.005 . . . . 0.0 108.285 179.443 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 0.3 OUTLIER -52.32 -11.17 0.25 Allowed 'Isoleucine or valine' 0 CA--C 1.539 0.548 0 N-CA-C 114.695 1.369 . . . . 0.0 114.695 -176.796 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -49.99 -45.48 51.74 Favored 'General case' 0 C--N 1.323 -0.548 0 O-C-N 126.12 2.137 . . . . 0.0 108.387 178.998 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -145.64 12.79 1.33 Allowed 'General case' 0 N--CA 1.45 -0.463 0 O-C-N 124.857 1.348 . . . . 0.0 112.675 -179.281 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 16' ' ' HIS . . . . . 0.446 ' O ' ' CZ ' ' A' ' 7' ' ' PHE . 6.1 m-70 -101.81 64.41 0.97 Allowed 'General case' 0 N--CA 1.451 -0.412 0 N-CA-C 115.849 1.796 . . . . 0.0 115.849 -177.98 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -55.42 167.02 0.53 Allowed 'General case' 0 CA--C 1.54 0.581 0 N-CA-C 107.785 -1.191 . . . . 0.0 107.785 177.034 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 18' ' ' ILE . . . . . . . . . . . . 0.287 0.1 OUTLIER -129.3 55.94 0.34 Allowed 'Isoleucine or valine' 0 CA--C 1.55 0.969 0 N-CA-C 105.471 -2.048 . . . . 0.0 105.471 177.221 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER 165.43 -23.79 0.0 OUTLIER 'General case' 0 N--CA 1.453 -0.323 0 CA-C-N 112.41 -2.177 . . . . 0.0 110.707 179.248 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -126.16 174.04 8.79 Favored 'General case' 0 C--N 1.323 -0.57 0 O-C-N 124.221 0.951 . . . . 0.0 110.207 179.744 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 1.6 pttp -128.97 138.28 51.87 Favored 'General case' 0 C--N 1.327 -0.403 0 O-C-N 124.377 1.048 . . . . 0.0 111.098 -179.431 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 22' ' ' MET . . . . . . . . . . . . . 2.2 tpp -134.67 -69.54 0.52 Allowed 'General case' 0 C--N 1.325 -0.474 0 CA-C-N 114.759 -1.109 . . . . 0.0 109.365 178.829 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 2.7 t -122.26 -49.0 2.65 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.519 0 N-CA-C 107.353 -1.351 . . . . 0.0 107.353 177.826 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -91.18 161.92 28.1 Favored Glycine 0 CA--C 1.534 1.26 0 O-C-N 124.845 1.34 . . . . 0.0 110.202 178.846 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 25' ' ' PRO . . . . . . . . . . . . . 46.8 Cg_endo -67.66 134.11 31.76 Favored 'Trans proline' 0 C--N 1.359 1.103 0 O-C-N 124.417 1.746 . . . . 0.0 114.097 -178.885 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -57.73 123.3 15.22 Favored 'General case' 0 C--N 1.324 -0.507 0 N-CA-C 105.732 -1.951 . . . . 0.0 105.732 175.735 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 27' ' ' TYR . . . . . 0.723 ' CE2' ' CE3' ' A' ' 77' ' ' TRP . 5.2 m-85 -57.37 -16.53 9.29 Favored 'General case' 0 C--N 1.323 -0.576 0 O-C-N 124.873 1.358 . . . . 0.0 111.566 -178.019 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -82.08 -39.7 23.04 Favored 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.624 1.202 . . . . 0.0 111.588 -179.059 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 5.1 p30 -72.62 -25.9 61.48 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.797 1.31 . . . . 0.0 109.209 -179.869 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 1.5 t -73.3 -36.31 48.93 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 N-CA-C 107.255 -1.387 . . . . 0.0 107.255 178.072 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -88.84 15.84 7.78 Favored 'General case' 0 C--N 1.328 -0.346 0 O-C-N 124.997 1.436 . . . . 0.0 109.983 179.371 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -144.96 18.08 1.6 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.175 0.922 . . . . 0.0 111.252 179.765 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -167.12 44.62 0.05 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.332 1.02 . . . . 0.0 108.561 179.314 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 10.0 t80 170.25 -31.23 0.0 OUTLIER 'General case' 0 CA--C 1.54 0.593 0 O-C-N 124.575 1.172 . . . . 0.0 110.18 179.82 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -48.67 138.03 11.31 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 125.525 1.766 . . . . 0.0 108.396 178.753 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 103.05 -7.43 52.47 Favored Glycine 0 CA--C 1.531 1.073 0 O-C-N 124.571 1.169 . . . . 0.0 111.101 -177.921 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -92.05 60.53 3.82 Favored 'General case' 0 C--N 1.326 -0.417 0 N-CA-C 109.274 -0.639 . . . . 0.0 109.274 179.127 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -55.68 169.38 0.34 Allowed 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 114.695 -1.139 . . . . 0.0 110.84 -178.954 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 67.49 26.07 73.7 Favored Glycine 0 CA--C 1.529 0.925 0 CA-C-N 114.86 -1.063 . . . . 0.0 112.475 179.429 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -124.42 -11.65 7.36 Favored 'General case' 0 N--CA 1.45 -0.459 0 O-C-N 124.26 0.624 . . . . 0.0 111.882 -179.492 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 23.8 pt-20 -63.95 -9.88 18.13 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.068 0.855 . . . . 0.0 112.358 -179.277 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -77.86 -54.15 6.66 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.51 1.131 . . . . 0.0 108.697 179.766 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -80.74 2.4 26.27 Favored 'General case' 0 CA--C 1.537 0.475 0 O-C-N 124.774 1.297 . . . . 0.0 110.798 178.501 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 13.9 tp -90.16 -37.56 14.1 Favored 'General case' 0 C--N 1.324 -0.51 0 N-CA-C 106.989 -1.485 . . . . 0.0 106.989 176.831 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -67.6 -22.37 65.37 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.988 1.43 . . . . 0.0 109.175 178.708 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 46' ' ' GLN . . . . . . . . . . . . . 74.9 mt-30 -83.92 -24.35 30.79 Favored 'General case' 0 CA--C 1.537 0.463 0 O-C-N 124.744 1.278 . . . . 0.0 109.893 -179.477 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -79.73 -39.72 30.47 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.989 1.43 . . . . 0.0 109.651 178.702 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 0.3 OUTLIER -83.29 -0.24 5.05 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 125.003 1.439 . . . . 0.0 110.104 179.107 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -124.41 -5.18 7.73 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.051 0.845 . . . . 0.0 111.451 179.908 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 3.8 t-20 -144.64 4.04 1.14 Allowed 'General case' 0 N--CA 1.449 -0.504 0 O-C-N 124.5 1.125 . . . . 0.0 113.015 -179.677 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 83.01 162.54 32.59 Favored Glycine 0 CA--C 1.53 0.973 0 O-C-N 123.973 0.796 . . . . 0.0 111.969 179.32 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 6.4 p -109.91 -159.99 0.7 Allowed 'General case' 0 C--N 1.327 -0.409 0 O-C-N 124.446 0.733 . . . . 0.0 109.741 179.747 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -121.35 -12.13 8.66 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.595 1.184 . . . . 0.0 111.697 -179.772 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 114.15 97.09 2.2 Favored Glycine 0 CA--C 1.531 1.059 0 O-C-N 124.309 1.006 . . . . 0.0 110.741 -179.727 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 24.6 t -113.65 -39.23 3.0 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.551 0.795 . . . . 0.0 109.595 -179.775 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 56' ' ' TRP . . . . . . . . . . . . . 6.6 m95 -111.35 28.93 8.27 Favored 'General case' 0 C--N 1.326 -0.42 0 N-CA-C 108.155 -1.054 . . . . 0.0 108.155 179.756 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 147.26 166.15 12.26 Favored Glycine 0 CA--C 1.529 0.968 0 O-C-N 124.54 1.15 . . . . 0.0 110.964 179.863 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 58' ' ' PRO . . . . . . . . . . . . . 2.3 Cg_endo -69.29 -42.97 3.37 Favored 'Trans proline' 0 C--N 1.359 1.111 0 O-C-N 124.665 1.876 . . . . 0.0 110.745 179.442 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 59' ' ' ILE . . . . . . . . . . . . . 6.1 tt -55.68 110.49 2.3 Favored Pre-proline 0 C--N 1.325 -0.465 0 O-C-N 124.592 1.183 . . . . 0.0 109.298 179.884 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 60' ' ' PRO . . . . . . . . . . . . . 19.4 Cg_endo -78.84 168.38 20.98 Favored 'Trans proline' 0 C--N 1.359 1.088 0 O-C-N 124.458 1.768 . . . . 0.0 110.934 -179.596 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 61' ' ' MET . . . . . . . . . . . . . 6.8 ttp -86.99 125.24 67.11 Favored Pre-proline 0 C--N 1.326 -0.435 0 O-C-N 124.45 1.094 . . . . 0.0 111.01 179.894 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 62' ' ' PRO . . . . . . . . . . . . . 22.4 Cg_exo -49.54 113.61 1.02 Allowed 'Trans proline' 0 C--N 1.36 1.151 0 O-C-N 124.585 1.834 . . . . 0.0 110.709 179.517 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 63' ' ' PRO . . . . . . . . . . . . . 12.0 Cg_endo -65.28 109.29 1.33 Allowed 'Trans proline' 0 C--N 1.361 1.213 0 O-C-N 124.243 1.654 . . . . 0.0 111.131 -179.611 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 1.1 t-20 -114.55 127.82 56.0 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.573 1.17 . . . . 0.0 108.981 179.66 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -81.2 134.41 35.61 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.616 1.197 . . . . 0.0 110.199 -179.522 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 0.1 OUTLIER -142.68 -152.54 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.439 0 O-C-N 124.389 1.056 . . . . 0.0 108.883 179.469 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 1.4 t -115.99 155.34 28.22 Favored 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.708 1.255 . . . . 0.0 109.717 179.74 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 1.6 m-20 -82.32 83.03 7.58 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.54 1.15 . . . . 0.0 109.204 179.996 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER 166.85 -43.84 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 114.703 -1.135 . . . . 0.0 108.557 179.625 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 10.1 mt-10 -76.81 -26.9 54.91 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.955 1.41 . . . . 0.0 108.484 178.193 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -92.04 -28.61 17.06 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 114.184 -1.371 . . . . 0.0 108.905 179.198 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -66.05 -35.81 81.55 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.589 1.181 . . . . 0.0 110.659 -179.991 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -71.42 -43.75 66.16 Favored 'General case' 0 C--N 1.327 -0.406 0 O-C-N 124.377 1.048 . . . . 0.0 111.371 -179.627 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 9.9 mt -71.64 -27.45 63.09 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.409 1.068 . . . . 0.0 110.637 -179.231 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -67.65 -23.84 65.38 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.373 1.046 . . . . 0.0 110.353 -179.401 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -92.98 -18.01 23.23 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.397 1.06 . . . . 0.0 110.03 -179.97 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 77' ' ' TRP . . . . . 0.723 ' CE3' ' CE2' ' A' ' 27' ' ' TYR . 35.5 t90 -74.18 -19.12 60.66 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.391 1.057 . . . . 0.0 109.651 -179.66 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -84.16 -51.15 14.38 Favored 'Isoleucine or valine' 0 CA--C 1.552 1.024 0 N-CA-C 106.513 -1.662 . . . . 0.0 106.513 177.89 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -40.43 -56.37 2.04 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 125.431 1.707 . . . . 0.0 111.094 -179.669 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 80' ' ' SER . . . . . 0.408 ' C ' ' CG ' ' A' ' 81' ' ' GLN . 57.6 p -174.34 50.03 0.01 OUTLIER 'General case' 0 C--N 1.327 -0.41 0 O-C-N 124.55 1.156 . . . . 0.0 110.353 -179.748 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 81' ' ' GLN . . . . . 0.408 ' CG ' ' C ' ' A' ' 80' ' ' SER . 0.1 OUTLIER 46.01 -100.1 0.05 OUTLIER 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.642 1.214 . . . . 0.0 111.247 179.862 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--N 1.325 -0.463 0 O-C-N 124.265 0.978 . . . . 0.0 109.179 179.71 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 N--CA 1.453 -0.299 0 N-CA-C 109.152 -0.685 . . . . 0.0 109.152 . . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 3' ' ' PRO . . . . . . . . . . . . . 9.9 Cg_endo -76.26 -10.23 19.16 Favored 'Trans proline' 0 C--N 1.36 1.154 0 O-C-N 124.486 1.782 . . . . 0.0 112.286 -179.454 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 19.4 tt0 -76.77 -28.88 55.85 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.565 1.165 . . . . 0.0 109.495 179.9 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 30.3 t -88.03 -33.28 6.46 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 N-CA-C 107.25 -1.389 . . . . 0.0 107.25 177.937 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -66.61 -31.85 72.81 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 113.889 -1.505 . . . . 0.0 108.624 178.888 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 7' ' ' PHE . . . . . 0.565 ' CD2' ' CB ' ' A' ' 12' ' ' CYS . 0.4 OUTLIER -72.43 -33.57 67.18 Favored 'General case' 0 CA--C 1.538 0.489 0 O-C-N 124.955 1.409 . . . . 0.0 110.379 179.566 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 13.6 tttt -77.39 -1.9 32.45 Favored 'General case' 0 C--N 1.326 -0.415 0 O-C-N 124.898 1.374 . . . . 0.0 110.943 -179.527 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 9.5 t-20 -47.79 -69.47 0.12 Allowed 'General case' 0 C--N 1.323 -0.556 0 O-C-N 124.402 1.064 . . . . 0.0 109.954 -179.863 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 179.77 -35.92 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.546 1.154 . . . . 0.0 110.389 179.89 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -61.97 -67.12 2.24 Favored Glycine 0 CA--C 1.53 0.975 0 O-C-N 124.319 1.012 . . . . 0.0 113.636 -178.558 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 12' ' ' CYS . . . . . 0.565 ' CB ' ' CD2' ' A' ' 7' ' ' PHE . 60.6 m -58.89 -58.5 8.37 Favored 'General case' 0 N--CA 1.449 -0.504 0 O-C-N 124.162 0.566 . . . . 0.0 111.258 -178.279 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 0.4 OUTLIER -63.39 -4.21 1.26 Allowed 'Isoleucine or valine' 0 CA--C 1.536 0.437 0 N-CA-C 114.126 1.158 . . . . 0.0 114.126 -176.605 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -53.21 -31.26 42.23 Favored 'General case' 0 C--N 1.324 -0.537 0 O-C-N 125.817 1.948 . . . . 0.0 107.81 178.748 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -155.57 14.94 0.37 Allowed 'General case' 0 N--CA 1.449 -0.485 0 O-C-N 124.97 1.419 . . . . 0.0 112.494 -179.589 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 8.6 m-70 -105.14 -173.66 2.35 Favored 'General case' 0 N--CA 1.45 -0.459 0 O-C-N 123.82 0.7 . . . . 0.0 110.955 179.818 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . 179.47 157.63 0.61 Allowed 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 114.318 -1.31 . . . . 0.0 108.982 179.344 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 0.5 OUTLIER -93.43 -28.71 4.36 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.374 0 O-C-N 124.499 1.124 . . . . 0.0 111.783 -179.117 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 17.4 p30 -134.81 27.1 3.63 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.548 1.155 . . . . 0.0 109.822 -179.779 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -148.02 158.66 44.18 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.532 1.145 . . . . 0.0 109.693 179.404 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -127.66 131.75 49.78 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.511 1.132 . . . . 0.0 109.949 -179.408 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 22' ' ' MET . . . . . . . . . . . . . 3.7 mtt -130.12 -91.47 0.45 Allowed 'General case' 0 C--N 1.324 -0.509 0 CA-C-N 114.979 -1.009 . . . . 0.0 110.043 179.422 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 2.1 t -98.43 -38.15 7.04 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.522 0 N-CA-C 107.637 -1.245 . . . . 0.0 107.637 178.307 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -106.7 174.32 20.05 Favored Glycine 0 CA--C 1.532 1.143 0 CA-C-N 114.22 -1.354 . . . . 0.0 110.927 179.865 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 25' ' ' PRO . . . . . . . . . . . . . 60.8 Cg_endo -72.08 159.77 49.16 Favored 'Trans proline' 0 C--N 1.359 1.116 0 C-N-CA 121.972 1.781 . . . . 0.0 113.333 -179.102 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -89.39 142.18 27.89 Favored 'General case' 0 CA--C 1.54 0.579 0 N-CA-C 106.281 -1.748 . . . . 0.0 106.281 176.433 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 27' ' ' TYR . . . . . 0.618 ' CE2' ' CE3' ' A' ' 77' ' ' TRP . 11.0 m-85 -68.32 -26.68 65.74 Favored 'General case' 0 C--N 1.322 -0.614 0 O-C-N 125.151 1.532 . . . . 0.0 110.841 -178.46 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 3.5 tptm -75.31 -26.56 58.76 Favored 'General case' 0 C--N 1.328 -0.343 0 O-C-N 124.945 1.403 . . . . 0.0 108.614 179.408 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 2.5 m-20 -85.27 -25.55 27.17 Favored 'General case' 0 C--N 1.323 -0.551 0 O-C-N 124.767 1.292 . . . . 0.0 107.691 177.556 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 8.3 t -70.37 -31.98 48.73 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.383 0 CA-C-N 114.268 -1.333 . . . . 0.0 107.552 178.012 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -79.34 -24.2 42.91 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 125.275 1.609 . . . . 0.0 109.202 179.384 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -88.14 5.39 41.56 Favored 'General case' 0 CA--C 1.536 0.44 0 O-C-N 124.955 1.41 . . . . 0.0 109.526 178.87 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 2.0 tppp? -120.87 -21.14 6.68 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.744 1.277 . . . . 0.0 110.849 179.369 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -88.76 -68.26 0.78 Allowed 'General case' 0 C--N 1.323 -0.582 0 O-C-N 124.188 0.93 . . . . 0.0 109.041 179.314 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . 42.23 52.25 4.52 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.38 1.05 . . . . 0.0 111.292 177.913 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 136.88 -47.64 0.95 Allowed Glycine 0 CA--C 1.536 1.359 0 N-CA-C 109.123 -1.591 . . . . 0.0 109.123 -178.741 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER 64.87 -131.08 0.3 Allowed 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 114.142 -1.029 . . . . 0.0 110.561 177.823 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . 76.57 39.56 0.25 Allowed 'General case' 0 CA--C 1.54 0.582 0 N-CA-C 107.361 -1.348 . . . . 0.0 107.361 -177.795 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . -112.7 31.47 6.81 Favored Glycine 0 CA--C 1.531 1.084 0 CA-C-N 114.095 -1.412 . . . . 0.0 110.757 -179.813 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . 69.67 83.56 0.15 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.665 0.862 . . . . 0.0 111.893 179.395 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 1.4 pt-20 -61.19 -13.95 21.78 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.851 1.345 . . . . 0.0 110.145 177.755 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -75.43 -50.76 14.85 Favored 'General case' 0 C--N 1.323 -0.552 0 O-C-N 124.725 1.266 . . . . 0.0 107.764 178.968 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 8.1 mt-10 -82.76 0.75 42.2 Favored 'General case' 0 CA--C 1.54 0.58 0 O-C-N 125.203 1.564 . . . . 0.0 110.412 177.593 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -84.71 -37.7 20.62 Favored 'General case' 0 CA--C 1.54 0.57 0 N-CA-C 106.0 -1.852 . . . . 0.0 106.0 176.297 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -72.08 -21.25 61.53 Favored 'General case' 0 N--CA 1.451 -0.409 0 CA-C-N 113.776 -1.557 . . . . 0.0 108.986 177.746 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 46' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER -82.58 -19.23 38.88 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.624 1.202 . . . . 0.0 110.9 -178.698 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 5.6 mtm180 -84.95 -37.72 20.17 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 125.096 1.497 . . . . 0.0 108.619 178.12 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 0.6 OUTLIER -77.47 -6.11 8.61 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 O-C-N 125.189 1.556 . . . . 0.0 111.239 179.672 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -126.99 -4.87 6.26 Favored 'General case' 0 N--CA 1.451 -0.411 0 O-C-N 123.993 0.808 . . . . 0.0 112.118 -179.797 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 1.8 t-20 -137.16 3.78 2.65 Favored 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.647 1.217 . . . . 0.0 111.584 179.347 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 76.77 152.89 4.89 Favored Glycine 0 CA--C 1.53 0.969 0 O-C-N 124.106 0.879 . . . . 0.0 112.585 178.983 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 4.4 m -103.19 -151.63 0.43 Allowed 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 114.716 -0.742 . . . . 0.0 109.502 179.377 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 1.8 tm0? -175.47 100.35 0.08 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.452 1.095 . . . . 0.0 110.33 179.888 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 78.43 84.27 0.56 Allowed Glycine 0 CA--C 1.531 1.035 0 O-C-N 124.51 1.131 . . . . 0.0 110.926 -179.982 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 11.7 t -133.5 -65.32 0.5 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.59 0.818 . . . . 0.0 109.254 -179.983 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 56' ' ' TRP . . . . . . . . . . . . . 3.0 m95 -115.47 32.97 5.72 Favored 'General case' 0 C--N 1.326 -0.425 0 N-CA-C 107.746 -1.205 . . . . 0.0 107.746 179.282 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 107.47 -153.31 16.85 Favored Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.687 1.242 . . . . 0.0 111.234 179.751 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 58' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.75 -172.02 1.21 Allowed 'Trans proline' 0 C--N 1.36 1.181 0 O-C-N 124.467 1.772 . . . . 0.0 111.023 -179.536 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 59' ' ' ILE . . . . . . . . . . . . . 3.1 mp 54.74 79.49 0.34 Allowed Pre-proline 0 C--N 1.324 -0.519 0 O-C-N 124.485 1.116 . . . . 0.0 109.056 -179.944 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 60' ' ' PRO . . . . . . . . . . . . . 23.5 Cg_endo -78.08 173.89 13.29 Favored 'Trans proline' 0 C--N 1.36 1.169 0 O-C-N 124.446 1.761 . . . . 0.0 111.25 -179.529 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 61' ' ' MET . . . . . . . . . . . . . 6.8 ttp -76.29 132.13 73.76 Favored Pre-proline 0 C--N 1.325 -0.461 0 O-C-N 124.428 1.08 . . . . 0.0 110.873 179.92 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 62' ' ' PRO . . . . . . . . . . . . . 6.9 Cg_endo -57.17 135.4 70.28 Favored 'Trans proline' 0 C--N 1.361 1.225 0 O-C-N 124.566 1.824 . . . . 0.0 110.673 179.541 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 63' ' ' PRO . . . . . . . . . . . . . 22.4 Cg_endo -73.95 100.05 1.24 Allowed 'Trans proline' 0 C--N 1.36 1.148 0 O-C-N 124.455 1.766 . . . . 0.0 110.864 -179.748 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -65.97 -169.21 0.06 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.507 1.129 . . . . 0.0 109.291 179.972 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -155.21 104.06 2.41 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.601 1.188 . . . . 0.0 109.49 179.96 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 68.9 t -141.79 -96.58 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.492 1.12 . . . . 0.0 109.213 179.92 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -172.29 -91.14 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.455 1.097 . . . . 0.0 109.922 179.974 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 15.4 t0 -178.79 55.79 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.566 1.166 . . . . 0.0 109.578 179.921 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 24.8 t70 -146.27 -64.53 0.3 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.554 1.159 . . . . 0.0 108.982 179.502 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 47.4 tt0 -60.57 -22.39 63.64 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.665 1.228 . . . . 0.0 109.424 178.892 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -88.68 -34.03 17.36 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.598 1.186 . . . . 0.0 109.112 179.51 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 14.5 mt-30 -58.04 -32.4 67.95 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.545 1.153 . . . . 0.0 110.633 -179.851 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 0.4 OUTLIER -80.49 -40.16 26.64 Favored 'General case' 0 C--N 1.326 -0.422 0 O-C-N 124.409 1.068 . . . . 0.0 111.146 -179.607 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 14.4 mt -76.83 -11.63 59.85 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.397 1.061 . . . . 0.0 111.057 -179.39 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -89.9 -22.45 22.01 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.262 0.976 . . . . 0.0 109.89 179.989 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -83.75 -18.63 37.17 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.536 1.147 . . . . 0.0 110.062 -179.543 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 77' ' ' TRP . . . . . 0.618 ' CE3' ' CE2' ' A' ' 27' ' ' TYR . 28.8 t90 -84.82 -35.88 22.01 Favored 'General case' 0 C--N 1.323 -0.566 0 N-CA-C 107.309 -1.367 . . . . 0.0 107.309 179.742 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 1.2 t -69.05 -51.71 41.18 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.553 0 N-CA-C 107.242 -1.392 . . . . 0.0 107.242 177.854 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -59.12 -63.52 1.27 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 113.972 -1.467 . . . . 0.0 109.678 -179.139 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -120.61 93.05 3.91 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.294 0.996 . . . . 0.0 110.272 -179.989 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 81' ' ' GLN . . . . . . . . . . . . . 5.8 tt0 -59.67 -75.71 0.05 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.537 1.148 . . . . 0.0 110.65 179.942 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 9.3 pttt . . . . . 0 C--N 1.325 -0.47 0 O-C-N 124.48 1.112 . . . . 0.0 109.321 -179.883 . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 2' ' ' ASP . . . . . 0.532 ' N ' ' CD ' ' A' ' 3' ' ' PRO . 0.0 OUTLIER . . . . . 0 N--CA 1.451 -0.403 0 CA-C-O 119.823 -0.132 . . . . 0.0 110.724 . . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 3' ' ' PRO . . . . . 0.532 ' CD ' ' N ' ' A' ' 2' ' ' ASP . 1.6 Cg_endo -70.28 -14.07 34.06 Favored 'Trans proline' 0 C--N 1.359 1.09 0 O-C-N 124.186 1.624 . . . . 0.0 111.937 -179.464 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 4.4 mt-10 -78.61 -30.26 46.45 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.721 1.263 . . . . 0.0 108.284 178.563 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 3.8 t -82.1 -26.64 9.24 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.402 0 CA-C-N 113.98 -1.464 . . . . 0.0 108.864 179.11 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 1.7 mt -83.22 -28.73 29.04 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.548 1.155 . . . . 0.0 108.662 179.373 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 7' ' ' PHE . . . . . 0.458 ' CG ' ' CZ3' ' A' ' 77' ' ' TRP . 15.8 t80 -68.91 -23.39 64.17 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.724 1.265 . . . . 0.0 110.922 179.908 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -103.67 -5.1 22.93 Favored 'General case' 0 C--N 1.326 -0.42 0 O-C-N 124.544 1.153 . . . . 0.0 110.807 179.878 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -87.54 -66.0 0.96 Allowed 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.127 0.892 . . . . 0.0 110.506 -179.523 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -51.82 -53.21 42.72 Favored 'General case' 0 C--N 1.326 -0.423 0 O-C-N 124.259 0.974 . . . . 0.0 110.335 -179.29 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 131.93 27.75 0.64 Allowed Glycine 0 CA--C 1.529 0.909 0 O-C-N 124.416 1.073 . . . . 0.0 113.96 179.304 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 1.2 m -66.73 -42.1 86.83 Favored 'General case' 0 CA--C 1.544 0.72 0 N-CA-C 108.05 -1.093 . . . . 0.0 108.05 179.515 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 0.3 OUTLIER -65.71 -6.78 4.03 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.547 0 O-C-N 125.377 1.673 . . . . 0.0 113.134 -177.29 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -54.13 -25.6 23.06 Favored 'General case' 0 CA--C 1.539 0.527 0 O-C-N 125.774 1.921 . . . . 0.0 107.84 178.447 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -155.26 16.53 0.41 Allowed 'General case' 0 N--CA 1.45 -0.441 0 O-C-N 124.743 1.277 . . . . 0.0 111.647 -179.149 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 6.4 m-70 -115.3 164.08 14.76 Favored 'General case' 0 CA--C 1.539 0.533 0 O-C-N 123.738 0.649 . . . . 0.0 110.572 179.502 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -153.13 155.68 37.21 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 114.182 -1.372 . . . . 0.0 108.309 178.02 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 0.5 OUTLIER -90.73 -26.58 5.16 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 O-C-N 124.675 1.234 . . . . 0.0 111.267 -179.341 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 3.4 p30 -133.17 22.29 4.1 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.501 1.126 . . . . 0.0 110.523 -179.755 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -145.14 160.13 41.91 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.44 1.087 . . . . 0.0 109.822 179.367 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -121.79 123.94 42.99 Favored 'General case' 0 C--N 1.326 -0.425 0 O-C-N 124.593 1.183 . . . . 0.0 109.955 -179.369 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 22' ' ' MET . . . . . . . . . . . . . 21.0 mtp -124.21 -96.76 0.45 Allowed 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.444 1.09 . . . . 0.0 110.037 179.089 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 2.2 t -94.27 -39.25 10.23 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 N-CA-C 107.462 -1.31 . . . . 0.0 107.462 178.064 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -103.92 172.46 20.82 Favored Glycine 0 CA--C 1.532 1.096 0 CA-C-N 114.166 -1.379 . . . . 0.0 110.763 179.685 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 25' ' ' PRO . . . . . . . . . . . . . 72.2 Cg_endo -74.45 153.1 44.46 Favored 'Trans proline' 0 C--N 1.359 1.094 0 O-C-N 124.392 1.733 . . . . 0.0 111.508 -179.234 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -75.71 139.05 41.7 Favored 'General case' 0 C--N 1.325 -0.493 0 N-CA-C 106.919 -1.511 . . . . 0.0 106.919 176.865 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 27' ' ' TYR . . . . . 0.608 ' CE2' ' CE3' ' A' ' 77' ' ' TRP . 15.1 m-85 -67.93 -26.16 65.83 Favored 'General case' 0 C--N 1.324 -0.542 0 O-C-N 124.959 1.412 . . . . 0.0 110.851 -178.812 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 17.3 ttmt -74.49 -24.19 58.98 Favored 'General case' 0 C--N 1.326 -0.414 0 O-C-N 124.996 1.435 . . . . 0.0 109.959 -179.63 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 29.0 m-20 -81.99 -43.8 17.54 Favored 'General case' 0 C--N 1.325 -0.471 0 N-CA-C 107.633 -1.247 . . . . 0.0 107.633 178.5 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 71.0 t -63.45 -28.16 44.47 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.474 0 CA-C-N 114.126 -1.397 . . . . 0.0 107.359 177.511 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -73.35 -34.41 65.61 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 114.163 -1.38 . . . . 0.0 108.819 179.412 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -64.15 -9.86 19.36 Favored 'General case' 0 CA--C 1.544 0.72 0 O-C-N 124.741 1.276 . . . . 0.0 109.852 179.924 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 33' ' ' LYS . . . . . 0.5 ' O ' ' CB ' ' A' ' 34' ' ' PHE . 1.2 mtmm -147.6 87.14 1.62 Allowed 'General case' 0 N--CA 1.447 -0.584 0 O-C-N 125.316 1.635 . . . . 0.0 111.261 178.744 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 34' ' ' PHE . . . . . 0.5 ' CB ' ' O ' ' A' ' 33' ' ' LYS . 10.3 m-30 130.3 -11.51 0.0 OUTLIER 'General case' 0 CA--C 1.546 0.795 0 C-N-CA 125.823 1.649 . . . . 0.0 112.363 177.978 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -93.05 31.33 1.45 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.691 1.245 . . . . 0.0 110.084 -179.859 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . -163.35 31.25 0.27 Allowed Glycine 0 CA--C 1.538 1.489 0 N-CA-C 109.506 -1.438 . . . . 0.0 109.506 179.243 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 37' ' ' GLN . . . . . 0.419 ' CA ' ' NE2' ' A' ' 37' ' ' GLN . 0.0 OUTLIER 176.62 -55.82 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 113.776 -1.212 . . . . 0.0 110.617 -178.761 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . 95.27 -95.72 0.0 OUTLIER 'General case' 0 CA--C 1.544 0.734 0 N-CA-C 107.306 -1.368 . . . . 0.0 107.306 -177.469 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 71.68 -0.83 33.27 Favored Glycine 0 CA--C 1.529 0.932 0 O-C-N 124.872 1.357 . . . . 0.0 113.65 178.396 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -174.34 80.85 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.484 0.755 . . . . 0.0 111.13 -179.862 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -123.68 10.23 9.01 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.486 1.116 . . . . 0.0 111.052 179.573 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -102.41 -63.53 1.15 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.312 1.008 . . . . 0.0 108.376 179.311 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 40.2 mt-10 -77.71 0.67 22.63 Favored 'General case' 0 CA--C 1.539 0.557 0 O-C-N 124.858 1.349 . . . . 0.0 110.471 177.438 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 1.4 tm? -87.11 -34.46 19.1 Favored 'General case' 0 C--N 1.323 -0.563 0 N-CA-C 106.423 -1.695 . . . . 0.0 106.423 176.952 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -73.92 -23.86 59.59 Favored 'General case' 0 CA--C 1.536 0.421 0 CA-C-N 114.085 -1.416 . . . . 0.0 108.258 177.246 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 46' ' ' GLN . . . . . . . . . . . . . 2.5 tm0? -78.37 -20.75 50.58 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-N 114.379 -1.282 . . . . 0.0 109.77 -179.645 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 22.8 mmt-85 -73.6 -35.31 65.37 Favored 'General case' 0 CA--C 1.539 0.532 0 O-C-N 125.294 1.621 . . . . 0.0 108.011 177.427 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 2.2 mt -64.92 -24.98 36.67 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 125.102 1.501 . . . . 0.0 110.676 179.492 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 3.5 ptpp? -118.37 2.33 11.87 Favored 'General case' 0 N--CA 1.449 -0.485 0 N-CA-C 113.904 1.076 . . . . 0.0 113.904 -177.722 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 16.9 t30 -129.54 -5.06 4.73 Favored 'General case' 0 N--CA 1.45 -0.431 0 O-C-N 124.267 0.979 . . . . 0.0 111.804 -179.545 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 76.67 149.36 3.01 Favored Glycine 0 CA--C 1.529 0.931 0 O-C-N 124.289 0.993 . . . . 0.0 111.694 179.636 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 13.0 m -81.82 -152.51 0.1 Allowed 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.47 0.747 . . . . 0.0 109.561 179.808 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -160.29 39.61 0.18 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.452 1.095 . . . . 0.0 110.173 -179.858 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 73.06 76.33 0.66 Allowed Glycine 0 CA--C 1.531 1.056 0 CA-C-N 114.82 -1.082 . . . . 0.0 110.59 -179.782 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 48.7 t -93.14 -40.64 12.11 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.427 0 O-C-N 124.491 0.76 . . . . 0.0 110.177 -179.457 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 56' ' ' TRP . . . . . . . . . . . . . 8.1 m95 -99.17 -24.0 15.02 Favored 'General case' 0 C--N 1.326 -0.425 0 O-C-N 124.547 1.155 . . . . 0.0 109.225 -179.481 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 146.58 -67.13 0.41 Allowed Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.402 1.064 . . . . 0.0 112.821 179.358 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 58' ' ' PRO . . . . . . . . . . . . . 17.3 Cg_exo -51.36 169.65 0.2 Allowed 'Trans proline' 0 C--N 1.361 1.2 0 O-C-N 124.458 1.767 . . . . 0.0 112.326 -178.729 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 59' ' ' ILE . . . . . . . . . . . . . 0.3 OUTLIER -49.72 155.49 1.43 Allowed Pre-proline 0 C--N 1.327 -0.396 0 CA-C-N 114.874 -1.057 . . . . 0.0 109.99 -179.805 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 60' ' ' PRO . . . . . . . . . . . . . 19.8 Cg_endo -77.43 160.03 32.31 Favored 'Trans proline' 0 C--N 1.36 1.161 0 O-C-N 124.331 1.7 . . . . 0.0 111.884 -179.215 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 61' ' ' MET . . . . . . . . . . . . . 5.3 ttp -64.14 130.35 94.5 Favored Pre-proline 0 C--N 1.326 -0.456 0 O-C-N 124.38 1.05 . . . . 0.0 111.547 -179.958 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 62' ' ' PRO . . . . . . . . . . . . . 0.9 OUTLIER -50.85 116.08 2.4 Favored 'Trans proline' 0 C--N 1.361 1.185 0 O-C-N 124.49 1.784 . . . . 0.0 110.205 179.268 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 63' ' ' PRO . . . . . . . . . . . . . 11.7 Cg_endo -64.9 107.87 0.99 Allowed 'Trans proline' 0 C--N 1.36 1.15 0 O-C-N 124.292 1.68 . . . . 0.0 110.951 -179.392 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 28.7 m-20 -96.29 -160.9 0.83 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.416 1.072 . . . . 0.0 109.032 179.757 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -144.35 98.6 3.23 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.432 1.082 . . . . 0.0 109.493 -179.936 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 1.5 t -108.79 170.19 2.94 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.491 1.119 . . . . 0.0 109.237 179.985 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 14.6 m -93.54 22.26 5.54 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.484 1.115 . . . . 0.0 110.545 -179.723 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 31.0 t0 52.89 57.46 6.33 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.344 1.028 . . . . 0.0 109.813 179.876 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 4.4 m-20 -153.03 -68.51 0.15 Allowed 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 114.727 -1.124 . . . . 0.0 108.366 179.19 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 3.7 mt-10 -54.28 -23.17 13.99 Favored 'General case' 0 C--N 1.326 -0.431 0 O-C-N 124.824 1.327 . . . . 0.0 109.026 178.118 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -81.19 -47.57 13.25 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 114.567 -1.197 . . . . 0.0 108.71 179.011 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -47.67 -34.65 8.39 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.7 1.25 . . . . 0.0 112.308 -179.696 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -77.64 -45.56 24.66 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.15 0.906 . . . . 0.0 110.826 -179.599 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 3.9 mm? -73.76 -6.71 48.6 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.572 1.17 . . . . 0.0 110.556 -179.982 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -94.49 -19.78 20.25 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.157 0.911 . . . . 0.0 110.047 -179.642 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -88.18 -13.43 41.18 Favored 'General case' 0 C--N 1.323 -0.573 0 O-C-N 124.605 1.191 . . . . 0.0 108.996 179.124 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 77' ' ' TRP . . . . . 0.608 ' CE3' ' CE2' ' A' ' 27' ' ' TYR . 27.7 t90 -90.15 -43.71 10.26 Favored 'General case' 0 C--N 1.324 -0.535 0 N-CA-C 106.458 -1.682 . . . . 0.0 106.458 178.774 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 0.9 OUTLIER -61.91 -50.91 78.24 Favored 'Isoleucine or valine' 0 CA--C 1.544 0.718 0 N-CA-C 105.977 -1.861 . . . . 0.0 105.977 176.702 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 1.5 tp -57.92 -64.42 0.91 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 113.459 -1.7 . . . . 0.0 109.37 -179.658 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 31.2 t -112.56 123.49 50.41 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.385 1.053 . . . . 0.0 110.144 -179.914 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 81' ' ' GLN . . . . . . . . . . . . . 2.4 mt-30 -51.43 -76.53 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.15 0.906 . . . . 0.0 110.182 -179.95 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--N 1.326 -0.451 0 O-C-N 124.535 1.147 . . . . 0.0 109.278 179.889 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 2' ' ' ASP . . . . . 0.477 ' N ' ' CD ' ' A' ' 3' ' ' PRO . 0.3 OUTLIER . . . . . 0 N--CA 1.452 -0.328 0 N-CA-C 110.091 -0.337 . . . . 0.0 110.091 . . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 3' ' ' PRO . . . . . 0.477 ' CD ' ' N ' ' A' ' 2' ' ' ASP . 25.6 Cg_endo -80.76 -26.95 3.44 Favored 'Trans proline' 0 C--N 1.358 1.032 0 O-C-N 124.476 1.777 . . . . 0.0 110.516 -179.654 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 12.8 tm-20 -81.14 -19.96 42.38 Favored 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.686 1.241 . . . . 0.0 109.953 179.061 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 5.2 t -91.63 -27.12 4.88 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.52 0 O-C-N 124.476 1.11 . . . . 0.0 109.106 179.889 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 3.7 tt -83.2 -33.1 26.22 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.619 1.199 . . . . 0.0 107.927 178.821 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 7' ' ' PHE . . . . . 0.477 ' CE1' ' CG2' ' A' ' 13' ' ' VAL . 7.9 t80 -62.71 -47.31 84.16 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 114.323 -1.308 . . . . 0.0 110.68 179.469 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 8.7 tttt -86.29 -15.72 39.77 Favored 'General case' 0 C--N 1.327 -0.402 0 O-C-N 124.837 1.336 . . . . 0.0 111.9 -178.93 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -52.83 -64.81 0.7 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.35 1.031 . . . . 0.0 108.864 179.931 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 1.3 ptpp? 175.23 80.43 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.674 1.234 . . . . 0.0 109.089 179.707 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 140.03 97.01 0.33 Allowed Glycine 0 CA--C 1.531 1.076 0 O-C-N 124.649 1.218 . . . . 0.0 111.754 179.846 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 3.7 m 140.67 -64.27 0.0 OUTLIER 'General case' 0 CA--C 1.558 1.264 0 N-CA-C 104.806 -2.294 . . . . 0.0 104.806 -179.575 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 13' ' ' VAL . . . . . 0.477 ' CG2' ' CE1' ' A' ' 7' ' ' PHE . 1.8 p -69.21 -8.33 9.95 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.537 0 O-C-N 125.51 1.756 . . . . 0.0 110.974 178.967 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -48.08 -32.24 6.53 Favored 'General case' 0 CA--C 1.541 0.61 0 O-C-N 126.502 2.376 . . . . 0.0 106.522 177.984 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -152.1 24.7 0.64 Allowed 'General case' 0 C--O 1.238 0.474 0 CA-C-N 113.858 -1.519 . . . . 0.0 111.849 178.77 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 33.3 m-70 -120.39 -179.02 3.83 Favored 'General case' 0 N--CA 1.445 -0.71 0 CA-C-O 122.737 1.256 . . . . 0.0 113.968 179.934 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -158.13 171.58 19.96 Favored 'General case' 0 CA--C 1.54 0.577 0 CA-C-N 113.285 -1.78 . . . . 0.0 108.511 179.49 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 0.2 OUTLIER -134.86 53.76 0.33 Allowed 'Isoleucine or valine' 0 CA--C 1.541 0.605 0 N-CA-C 107.511 -1.292 . . . . 0.0 107.511 178.314 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 1.9 p30 160.7 -19.29 0.0 OUTLIER 'General case' 0 N--CA 1.451 -0.397 0 CA-C-N 113.621 -1.627 . . . . 0.0 111.545 178.627 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -127.03 175.31 8.2 Favored 'General case' 0 C--N 1.324 -0.531 0 O-C-N 124.3 1.0 . . . . 0.0 111.232 -179.275 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 5.2 ptmm? -118.14 142.08 47.81 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 114.895 -1.048 . . . . 0.0 109.927 -179.786 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 22' ' ' MET . . . . . . . . . . . . . 20.9 mtt -139.77 -89.94 0.19 Allowed 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 114.911 -1.04 . . . . 0.0 110.272 179.46 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 2.7 t -101.09 -37.31 5.34 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 N-CA-C 107.942 -1.133 . . . . 0.0 107.942 178.416 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -114.09 -168.39 16.36 Favored Glycine 0 CA--C 1.532 1.125 0 O-C-N 124.847 1.342 . . . . 0.0 111.354 -179.723 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 25' ' ' PRO . . . . . . . . . . . . . 87.4 Cg_endo -81.07 141.55 13.13 Favored 'Trans proline' 0 N--CA 1.448 -1.192 0 C-N-CA 122.167 1.911 . . . . 0.0 113.528 -178.885 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -63.51 131.57 48.53 Favored 'General case' 0 C--N 1.325 -0.489 0 N-CA-C 105.844 -1.91 . . . . 0.0 105.844 175.588 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 27' ' ' TYR . . . . . 0.517 ' CE2' ' CE3' ' A' ' 77' ' ' TRP . 5.9 m-85 -59.29 -19.73 48.52 Favored 'General case' 0 C--N 1.324 -0.537 0 O-C-N 124.813 1.321 . . . . 0.0 110.511 -178.892 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 1.2 tttt -80.41 -39.16 28.84 Favored 'General case' 0 CA--C 1.536 0.408 0 O-C-N 124.443 1.09 . . . . 0.0 109.954 179.941 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -65.4 -34.05 77.39 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.74 1.275 . . . . 0.0 108.162 179.582 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 6.9 t -73.16 -31.63 35.45 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.544 0 N-CA-C 106.883 -1.525 . . . . 0.0 106.883 177.457 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -89.37 15.33 9.32 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 114.022 -1.445 . . . . 0.0 109.644 179.091 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -129.55 2.99 5.03 Favored 'General case' 0 CA--C 1.537 0.446 0 O-C-N 124.064 0.853 . . . . 0.0 111.272 179.407 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -135.86 -24.46 1.31 Allowed 'General case' 0 N--CA 1.449 -0.484 0 O-C-N 124.781 1.301 . . . . 0.0 113.875 179.566 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 1.6 t80 -125.3 -1.32 7.61 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 123.805 0.691 . . . . 0.0 112.266 179.851 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -76.3 -179.83 5.34 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.304 1.003 . . . . 0.0 108.968 179.051 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 49.17 23.76 4.26 Favored Glycine 0 CA--C 1.531 1.034 0 O-C-N 124.384 1.052 . . . . 0.0 111.14 179.972 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 13.0 mm100 -135.84 -63.57 0.65 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.418 0.717 . . . . 0.0 110.344 -179.553 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . 56.02 -163.94 0.15 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.484 1.115 . . . . 0.0 109.239 -179.851 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 112.27 -37.7 3.56 Favored Glycine 0 CA--C 1.529 0.939 0 O-C-N 124.508 1.13 . . . . 0.0 110.936 -179.838 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -80.24 -95.04 0.04 OUTLIER 'General case' 0 C--N 1.326 -0.415 0 O-C-N 124.504 0.767 . . . . 0.0 109.484 -179.993 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER 51.06 18.81 0.59 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.175 0.922 . . . . 0.0 111.444 -179.508 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -124.61 -56.66 1.59 Allowed 'General case' 0 C--N 1.324 -0.509 0 N-CA-C 106.966 -1.494 . . . . 0.0 106.966 177.787 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 3.9 tt0 -86.5 -4.59 59.2 Favored 'General case' 0 CA--C 1.542 0.642 0 O-C-N 125.346 1.654 . . . . 0.0 110.021 176.573 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 1.3 tm? -90.05 -34.28 16.0 Favored 'General case' 0 C--N 1.325 -0.478 0 N-CA-C 107.475 -1.305 . . . . 0.0 107.475 177.416 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -76.7 -23.0 53.14 Favored 'General case' 0 CA--C 1.537 0.471 0 O-C-N 124.919 1.387 . . . . 0.0 107.662 176.95 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 46' ' ' GLN . . . . . . . . . . . . . 5.0 tt0 -76.62 -21.95 54.81 Favored 'General case' 0 CA--C 1.536 0.422 0 CA-C-N 114.166 -1.379 . . . . 0.0 109.484 179.727 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 10.4 mmt180 -70.31 -36.49 74.34 Favored 'General case' 0 CA--C 1.545 0.751 0 O-C-N 125.36 1.663 . . . . 0.0 107.524 176.988 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 18.3 mt -78.52 -9.65 12.44 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 125.27 1.606 . . . . 0.0 111.12 179.694 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -118.16 -5.62 10.91 Favored 'General case' 0 N--CA 1.451 -0.38 0 O-C-N 123.903 0.752 . . . . 0.0 112.884 -178.385 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -138.02 -4.62 1.72 Allowed 'General case' 0 N--CA 1.45 -0.462 0 O-C-N 124.767 1.292 . . . . 0.0 113.027 -178.897 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 83.79 162.91 34.39 Favored Glycine 0 CA--C 1.53 0.988 0 O-C-N 124.108 0.88 . . . . 0.0 111.484 179.637 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -137.27 138.02 39.63 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.442 0.73 . . . . 0.0 109.782 179.803 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 2.5 pt20 -141.3 90.9 2.34 Favored 'General case' 0 C--N 1.324 -0.53 0 O-C-N 124.551 1.157 . . . . 0.0 110.362 -179.838 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 129.73 66.53 0.11 Allowed Glycine 0 CA--C 1.532 1.095 0 O-C-N 124.441 1.088 . . . . 0.0 110.925 -179.985 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 13.3 t -138.38 -76.98 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.63 0.841 . . . . 0.0 109.45 -179.885 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 56' ' ' TRP . . . . . . . . . . . . . 3.0 m95 -97.57 -26.51 14.77 Favored 'General case' 0 C--N 1.327 -0.401 0 O-C-N 124.452 1.095 . . . . 0.0 108.366 179.934 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 168.98 -156.42 27.71 Favored Glycine 0 CA--C 1.529 0.968 0 O-C-N 124.418 1.073 . . . . 0.0 111.146 179.77 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 58' ' ' PRO . . . . . . . . . . . . . 19.4 Cg_endo -72.34 -160.27 0.09 OUTLIER 'Trans proline' 0 C--N 1.36 1.167 0 O-C-N 124.561 1.822 . . . . 0.0 110.869 -179.956 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 59' ' ' ILE . . . . . . . . . . . . . 0.3 OUTLIER 60.22 83.54 0.21 Allowed Pre-proline 0 C--N 1.326 -0.439 0 O-C-N 124.578 1.174 . . . . 0.0 109.168 -179.934 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 60' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -74.36 160.99 41.16 Favored 'Trans proline' 0 C--N 1.36 1.178 0 O-C-N 124.481 1.78 . . . . 0.0 111.068 -179.553 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 61' ' ' MET . . . . . . . . . . . . . 10.1 ttp -90.05 113.46 57.28 Favored Pre-proline 0 C--N 1.325 -0.458 0 O-C-N 124.533 1.146 . . . . 0.0 110.9 179.994 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 62' ' ' PRO . . . . . . . . . . . . . 6.8 Cg_exo -49.18 109.7 0.29 Allowed 'Trans proline' 0 C--N 1.362 1.253 0 O-C-N 124.527 1.804 . . . . 0.0 110.753 -179.527 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 63' ' ' PRO . . . . . . . . . . . . . 17.9 Cg_exo -48.37 108.59 0.19 Allowed 'Trans proline' 0 C--N 1.361 1.216 0 O-C-N 124.461 1.769 . . . . 0.0 110.774 -179.815 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 5.9 t-20 -79.31 -43.13 24.22 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.604 1.19 . . . . 0.0 109.787 -179.634 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . 65.4 97.56 0.05 OUTLIER 'General case' 0 C--N 1.324 -0.533 0 O-C-N 124.439 1.087 . . . . 0.0 109.618 -179.944 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 0.5 OUTLIER -102.73 -146.85 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.331 1.019 . . . . 0.0 109.171 179.824 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 18.8 t -109.15 25.95 11.2 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.37 1.044 . . . . 0.0 110.108 -179.914 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER 45.77 32.06 1.16 Allowed 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.651 1.219 . . . . 0.0 110.149 179.971 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 34.3 t70 -141.33 -68.25 0.39 Allowed 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 114.579 -1.191 . . . . 0.0 108.309 179.073 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -54.02 -23.65 14.22 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.878 1.361 . . . . 0.0 108.963 178.127 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -80.27 -46.72 15.72 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 114.487 -1.233 . . . . 0.0 108.669 179.141 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 1.2 tt0 -50.57 -24.04 2.96 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.709 1.256 . . . . 0.0 110.576 179.816 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 0.5 OUTLIER -72.9 -52.18 15.7 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.483 1.115 . . . . 0.0 110.178 179.774 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 1.1 mp -74.58 -9.84 58.97 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.566 1.166 . . . . 0.0 110.352 179.643 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -79.82 -25.93 40.67 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.271 0.982 . . . . 0.0 109.319 -179.972 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 2.1 pttp -87.23 -19.17 28.74 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.701 1.251 . . . . 0.0 109.648 179.736 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 77' ' ' TRP . . . . . 0.517 ' CE3' ' CE2' ' A' ' 27' ' ' TYR . 29.5 t90 -83.48 -42.11 17.27 Favored 'General case' 0 C--N 1.324 -0.513 0 N-CA-C 106.687 -1.597 . . . . 0.0 106.687 179.069 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 78' ' ' VAL . . . . . 0.412 ' CG1' ' N ' ' A' ' 79' ' ' LEU . 0.9 OUTLIER -61.28 -52.14 64.86 Favored 'Isoleucine or valine' 0 CA--C 1.543 0.675 0 N-CA-C 106.156 -1.794 . . . . 0.0 106.156 177.282 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 79' ' ' LEU . . . . . 0.412 ' N ' ' CG1' ' A' ' 78' ' ' VAL . 3.5 mt -51.03 -70.3 0.09 Allowed 'General case' 0 N--CA 1.451 -0.413 0 O-C-N 125.218 1.574 . . . . 0.0 108.977 179.753 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 2.1 m -85.36 -133.21 0.05 Allowed 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 114.213 -1.358 . . . . 0.0 109.289 -179.901 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 81' ' ' GLN . . . . . . . . . . . . . 13.4 tt0 -154.85 -43.89 0.09 Allowed 'General case' 0 C--N 1.324 -0.53 0 O-C-N 124.325 1.015 . . . . 0.0 110.606 179.987 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 4.6 tttt . . . . . 0 C--N 1.326 -0.446 0 O-C-N 124.339 1.024 . . . . 0.0 109.09 179.995 . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 N--CA 1.453 -0.28 0 N-CA-C 109.06 -0.719 . . . . 0.0 109.06 . . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 3' ' ' PRO . . . . . . . . . . . . . 37.9 Cg_endo -84.32 -25.32 2.18 Favored 'Trans proline' 0 C--N 1.358 1.045 0 O-C-N 124.653 1.87 . . . . 0.0 109.859 179.988 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 20.3 mt-10 -81.08 -20.96 40.41 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.855 1.347 . . . . 0.0 109.461 178.524 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 0.9 OUTLIER -85.69 -35.95 10.16 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.801 1.313 . . . . 0.0 108.619 179.227 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 15.2 tp -73.32 -38.59 65.75 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.588 1.18 . . . . 0.0 108.727 179.394 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 7' ' ' PHE . . . . . 0.454 ' CD1' ' C ' ' A' ' 7' ' ' PHE . 1.3 t80 -71.37 -14.78 62.29 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.682 1.239 . . . . 0.0 110.94 179.382 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 37.6 tttt -115.42 12.84 16.39 Favored 'General case' 0 C--N 1.326 -0.42 0 O-C-N 124.239 0.962 . . . . 0.0 111.748 -179.239 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 2.2 m120 -95.22 40.64 1.1 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.149 0.906 . . . . 0.0 108.629 179.375 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER 62.66 69.1 0.61 Allowed 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 114.569 -1.196 . . . . 0.0 108.718 -179.72 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 158.88 93.67 0.1 OUTLIER Glycine 0 CA--C 1.532 1.124 0 O-C-N 124.577 1.173 . . . . 0.0 111.374 -179.708 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 12.1 m 133.89 -60.21 0.0 OUTLIER 'General case' 0 CA--C 1.556 1.174 0 N-CA-C 104.664 -2.347 . . . . 0.0 104.664 -178.993 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 13' ' ' VAL . . . . . 0.426 ' C ' ' N ' ' A' ' 15' ' ' CYS . 0.5 OUTLIER -71.02 -5.8 6.28 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 125.524 1.765 . . . . 0.0 110.218 177.899 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -46.93 -30.21 2.44 Favored 'General case' 0 CA--C 1.541 0.621 0 O-C-N 126.223 2.202 . . . . 0.0 106.649 177.426 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 15' ' ' CYS . . . . . 0.426 ' N ' ' C ' ' A' ' 13' ' ' VAL . 0.8 OUTLIER -167.96 37.66 0.03 OUTLIER 'General case' 0 C--O 1.238 0.49 0 O-C-N 125.594 1.809 . . . . 0.0 113.849 178.321 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 4.6 m-70 -108.93 -99.93 0.38 Allowed 'General case' 0 N--CA 1.452 -0.361 0 N-CA-C 113.972 1.101 . . . . 0.0 113.972 179.83 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . 102.37 152.11 0.01 OUTLIER 'General case' 0 CA--C 1.545 0.78 0 N-CA-C 107.178 -1.415 . . . . 0.0 107.178 -176.916 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 0.5 OUTLIER -99.81 -24.93 4.01 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.44 0 O-C-N 125.021 1.451 . . . . 0.0 112.299 -178.075 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 28.0 t0 -136.56 27.98 3.03 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.414 1.071 . . . . 0.0 109.191 179.754 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -144.96 159.67 42.56 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.609 1.193 . . . . 0.0 110.131 179.71 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 21' ' ' LYS . . . . . 0.453 ' NZ ' ' CB ' ' A' ' 21' ' ' LYS . 1.0 OUTLIER -112.73 165.51 12.22 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.546 1.154 . . . . 0.0 109.163 179.999 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 22' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -175.08 -88.56 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.428 0 O-C-N 124.473 1.108 . . . . 0.0 110.691 179.839 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 1.5 t -112.97 -36.81 2.57 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.378 1.049 . . . . 0.0 108.83 179.746 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -111.98 173.52 15.63 Favored Glycine 0 CA--C 1.532 1.135 0 CA-C-N 114.569 -1.196 . . . . 0.0 111.432 -179.183 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 25' ' ' PRO . . . . . . . . . . . . . 58.9 Cg_endo -72.06 146.74 47.37 Favored 'Trans proline' 0 C--N 1.359 1.117 0 C-N-CA 121.976 1.784 . . . . 0.0 111.684 -179.342 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -78.76 142.16 37.23 Favored 'General case' 0 C--N 1.325 -0.49 0 N-CA-C 106.688 -1.597 . . . . 0.0 106.688 177.11 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 27' ' ' TYR . . . . . 0.648 ' CE2' ' CE3' ' A' ' 77' ' ' TRP . 11.8 m-85 -68.33 -18.38 64.48 Favored 'General case' 0 C--N 1.323 -0.559 0 O-C-N 124.725 1.266 . . . . 0.0 111.817 -178.443 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 34.6 tttt -86.68 -22.06 26.32 Favored 'General case' 0 C--N 1.326 -0.424 0 O-C-N 124.536 1.147 . . . . 0.0 109.893 -179.999 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -82.29 -40.91 20.85 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.523 1.139 . . . . 0.0 107.97 178.356 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 4.1 t -64.36 -33.18 61.07 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.909 1.381 . . . . 0.0 107.512 178.153 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -71.33 -32.03 68.09 Favored 'General case' 0 CA--C 1.535 0.377 0 O-C-N 124.893 1.371 . . . . 0.0 108.234 178.697 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -91.4 16.28 10.51 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 114.644 -1.162 . . . . 0.0 111.268 -179.566 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -129.5 -82.09 0.56 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.303 1.002 . . . . 0.0 108.738 179.071 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 0.7 OUTLIER -66.72 -29.11 69.02 Favored 'General case' 0 C--N 1.326 -0.428 0 O-C-N 124.508 1.13 . . . . 0.0 110.642 179.384 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . 53.28 -155.48 0.2 Allowed 'General case' 0 C--N 1.327 -0.402 0 O-C-N 124.824 1.328 . . . . 0.0 108.708 179.74 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . -89.43 44.31 3.06 Favored Glycine 0 CA--C 1.533 1.166 0 O-C-N 124.656 1.223 . . . . 0.0 110.547 179.443 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER -54.89 -31.39 59.85 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.483 0.755 . . . . 0.0 110.086 -179.882 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . 50.56 49.98 19.74 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.485 1.116 . . . . 0.0 110.198 179.423 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . -149.66 22.71 1.18 Allowed Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.482 1.114 . . . . 0.0 110.763 179.585 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -162.68 76.03 0.43 Allowed 'General case' 0 C--N 1.327 -0.407 0 O-C-N 124.577 0.81 . . . . 0.0 110.063 -179.748 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 38.9 mt-10 -129.4 -28.75 2.28 Favored 'General case' 0 N--CA 1.452 -0.368 0 O-C-N 124.485 1.116 . . . . 0.0 113.319 -179.552 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -74.47 -64.86 0.94 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.223 0.952 . . . . 0.0 109.828 -179.157 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 5.7 pt-20 -77.11 -0.17 23.83 Favored 'General case' 0 CA--C 1.537 0.471 0 O-C-N 124.648 1.218 . . . . 0.0 110.617 178.244 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -84.98 -34.0 22.49 Favored 'General case' 0 C--N 1.323 -0.563 0 N-CA-C 106.346 -1.724 . . . . 0.0 106.346 176.657 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -73.6 -24.99 60.12 Favored 'General case' 0 N--CA 1.452 -0.364 0 CA-C-N 113.92 -1.491 . . . . 0.0 108.883 178.17 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 46' ' ' GLN . . . . . . . . . . . . . 5.7 tt0 -76.49 -21.72 55.45 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 114.612 -1.177 . . . . 0.0 109.968 -179.468 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -77.09 -32.99 57.04 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 125.32 1.638 . . . . 0.0 108.56 177.79 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 49.5 mt -63.15 -24.35 35.72 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 125.12 1.513 . . . . 0.0 109.313 178.876 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 5.7 pttt -120.03 4.97 10.87 Favored 'General case' 0 N--CA 1.449 -0.484 0 O-C-N 124.301 1.001 . . . . 0.0 113.163 -177.925 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 3.5 t-20 -139.45 8.02 2.39 Favored 'General case' 0 C--N 1.326 -0.432 0 O-C-N 124.144 0.903 . . . . 0.0 111.628 -179.968 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 76.03 146.97 1.89 Allowed Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.149 0.906 . . . . 0.0 112.077 179.358 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -78.84 -19.68 51.45 Favored 'General case' 0 C--N 1.326 -0.415 0 O-C-N 124.399 0.705 . . . . 0.0 110.737 179.929 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER 74.65 18.9 2.69 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.458 1.099 . . . . 0.0 111.042 -179.968 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 92.15 91.41 1.44 Allowed Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.415 1.072 . . . . 0.0 111.529 179.603 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 37.1 t -108.54 -41.48 5.17 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.499 0.764 . . . . 0.0 109.116 179.753 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 56' ' ' TRP . . . . . . . . . . . . . 7.0 m95 -109.44 27.72 9.26 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.529 1.143 . . . . 0.0 108.113 179.656 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 129.74 -155.06 20.73 Favored Glycine 0 CA--C 1.529 0.925 0 O-C-N 124.595 1.185 . . . . 0.0 111.167 179.866 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 58' ' ' PRO . . . . . . . . . . . . . 16.0 Cg_endo -77.9 -159.51 0.1 Allowed 'Trans proline' 0 C--N 1.359 1.131 0 O-C-N 124.382 1.727 . . . . 0.0 111.319 -179.322 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 59' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER 44.6 84.86 0.18 Allowed Pre-proline 0 C--N 1.325 -0.482 0 O-C-N 124.614 1.196 . . . . 0.0 111.327 179.899 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 60' ' ' PRO . . . . . . . . . . . . . 13.4 Cg_endo -66.47 152.97 79.69 Favored 'Trans proline' 0 C--N 1.367 1.545 0 O-C-N 123.808 1.425 . . . . 0.0 110.853 179.48 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 61' ' ' MET . . . . . . . . . . . . . 6.2 ttp -62.86 113.94 10.74 Favored Pre-proline 0 C--N 1.325 -0.462 0 O-C-N 124.591 1.182 . . . . 0.0 111.433 -179.862 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 62' ' ' PRO . . . . . . . . . . . . . 14.0 Cg_exo -54.1 110.91 0.57 Allowed 'Trans proline' 0 C--N 1.36 1.163 0 O-C-N 124.536 1.808 . . . . 0.0 110.019 178.935 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 63' ' ' PRO . . . . . . . . . . . . . 24.3 Cg_exo -44.07 102.28 0.04 OUTLIER 'Trans proline' 0 C--N 1.358 1.051 0 O-C-N 124.679 1.884 . . . . 0.0 111.051 -179.382 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 5.7 t-20 -69.23 -35.42 76.13 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.34 1.025 . . . . 0.0 110.615 -179.067 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . 64.91 80.62 0.23 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.438 1.087 . . . . 0.0 109.105 -179.584 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 0.3 OUTLIER -103.11 -15.74 7.84 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.385 1.053 . . . . 0.0 110.583 -179.894 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER 84.67 165.85 0.1 Allowed 'General case' 0 C--N 1.323 -0.544 0 O-C-N 124.462 1.101 . . . . 0.0 109.73 -179.508 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 68' ' ' ASP . . . . . 0.422 ' O ' ' CB ' ' A' ' 69' ' ' ASP . 0.8 OUTLIER -70.29 141.4 52.37 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.524 1.14 . . . . 0.0 110.766 -179.134 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 69' ' ' ASP . . . . . 0.422 ' CB ' ' O ' ' A' ' 68' ' ' ASP . 4.0 t0 88.64 -36.95 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.443 1.089 . . . . 0.0 110.394 179.764 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 4.2 mt-10 -79.05 -32.11 44.74 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.629 1.206 . . . . 0.0 108.3 178.694 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -87.64 -31.71 19.64 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 113.952 -1.476 . . . . 0.0 108.365 178.412 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 6.7 tp60 -57.65 -34.89 69.84 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.799 1.312 . . . . 0.0 110.324 179.731 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 1.1 m -70.15 -47.96 59.41 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.563 1.165 . . . . 0.0 110.46 -179.959 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 2.9 mt -78.99 2.9 18.8 Favored 'General case' 0 N--CA 1.449 -0.487 0 O-C-N 124.45 1.093 . . . . 0.0 111.461 -179.481 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -100.12 -28.16 13.18 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.281 0.988 . . . . 0.0 110.573 -179.725 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 8.1 pttp -85.26 -16.32 40.56 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.596 1.185 . . . . 0.0 110.017 -179.912 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 77' ' ' TRP . . . . . 0.648 ' CE3' ' CE2' ' A' ' 27' ' ' TYR . 33.5 t90 -86.6 -38.82 16.74 Favored 'General case' 0 C--N 1.323 -0.544 0 N-CA-C 106.696 -1.594 . . . . 0.0 106.696 178.876 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 78' ' ' VAL . . . . . 0.426 ' CG1' ' N ' ' A' ' 79' ' ' LEU . 1.0 OUTLIER -63.79 -54.31 33.62 Favored 'Isoleucine or valine' 0 CA--C 1.542 0.654 0 N-CA-C 106.675 -1.602 . . . . 0.0 106.675 177.134 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 79' ' ' LEU . . . . . 0.426 ' N ' ' CG1' ' A' ' 78' ' ' VAL . 0.3 OUTLIER -62.45 -69.68 0.24 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 113.964 -1.471 . . . . 0.0 109.241 -179.271 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -85.57 113.31 21.71 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.442 1.089 . . . . 0.0 109.756 179.69 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 81' ' ' GLN . . . . . . . . . . . . . 14.5 pt20 -51.4 -41.44 60.73 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.43 1.081 . . . . 0.0 110.707 -179.778 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.325 -0.467 0 O-C-N 124.443 1.089 . . . . 0.0 109.368 -179.993 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 2.3 m-20 . . . . . 0 N--CA 1.453 -0.323 0 N-CA-C 110.596 -0.15 . . . . 0.0 110.596 . . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 3' ' ' PRO . . . . . . . . . . . . . 67.7 Cg_endo -82.62 -23.93 3.78 Favored 'Trans proline' 0 C--N 1.358 1.057 0 O-C-N 124.55 1.816 . . . . 0.0 109.536 178.441 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -80.79 -23.48 39.26 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.823 1.327 . . . . 0.0 109.211 178.632 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 41.0 t -88.34 -25.85 5.79 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.424 0 O-C-N 124.754 1.284 . . . . 0.0 108.977 179.246 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -81.61 -35.68 29.8 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 114.821 -1.081 . . . . 0.0 108.728 179.464 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 7' ' ' PHE . . . . . 0.606 ' CD2' ' CB ' ' A' ' 12' ' ' CYS . 0.4 OUTLIER -68.84 -23.94 64.31 Favored 'General case' 0 C--N 1.327 -0.406 0 O-C-N 124.827 1.329 . . . . 0.0 111.083 179.864 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 2.1 mmmt -92.38 -10.72 37.11 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.556 1.16 . . . . 0.0 111.377 -178.901 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 4.1 t30 -47.65 -75.18 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.312 1.007 . . . . 0.0 110.166 -179.694 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 6.6 mttp 176.11 79.91 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.511 1.132 . . . . 0.0 109.621 179.805 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -179.99 -69.08 0.07 OUTLIER Glycine 0 CA--C 1.529 0.924 0 O-C-N 124.614 1.196 . . . . 0.0 111.735 179.926 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 12' ' ' CYS . . . . . 0.606 ' CB ' ' CD2' ' A' ' 7' ' ' PHE . 60.1 m -58.18 -59.73 4.85 Favored 'General case' 0 N--CA 1.449 -0.494 0 O-C-N 124.268 0.628 . . . . 0.0 110.571 -179.126 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 0.3 OUTLIER -62.19 -4.69 1.08 Allowed 'Isoleucine or valine' 0 CA--C 1.536 0.44 0 N-CA-C 114.084 1.142 . . . . 0.0 114.084 -176.869 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -52.03 -31.34 29.4 Favored 'General case' 0 CA--C 1.538 0.516 0 O-C-N 125.906 2.004 . . . . 0.0 108.164 179.619 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 3.6 p -157.29 16.86 0.27 Allowed 'General case' 0 N--CA 1.45 -0.451 0 O-C-N 125.208 1.567 . . . . 0.0 112.631 -179.515 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 3.3 m-70 -94.27 -71.76 0.65 Allowed 'General case' 0 C--N 1.327 -0.404 0 N-CA-C 113.993 1.109 . . . . 0.0 113.993 -178.671 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . 68.8 160.04 0.18 Allowed 'General case' 0 C--N 1.325 -0.476 0 N-CA-C 107.689 -1.226 . . . . 0.0 107.689 -176.686 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 0.5 OUTLIER -101.18 -22.41 4.74 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.399 0 O-C-N 124.135 0.897 . . . . 0.0 112.534 -178.398 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 18.4 t0 -133.96 23.34 3.88 Favored 'General case' 0 N--CA 1.45 -0.434 0 O-C-N 124.284 0.99 . . . . 0.0 112.402 -179.074 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -146.07 157.96 43.86 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.288 0.993 . . . . 0.0 109.968 178.767 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 2.1 mtpp -116.3 163.04 16.6 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.546 1.154 . . . . 0.0 110.953 -178.951 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 22' ' ' MET . . . . . . . . . . . . . 1.6 mmm -170.93 -72.18 0.02 OUTLIER 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 114.737 -1.119 . . . . 0.0 110.442 179.934 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 1.8 t -122.83 -42.12 1.59 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.591 1.182 . . . . 0.0 108.99 179.184 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -105.82 166.48 14.17 Favored Glycine 0 CA--C 1.532 1.153 0 O-C-N 124.371 1.044 . . . . 0.0 111.778 -179.423 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 25' ' ' PRO . . . . . . . . . . . . . 73.5 Cg_endo -72.76 122.08 7.9 Favored 'Trans proline' 0 C--N 1.36 1.16 0 C-N-CA 122.291 1.994 . . . . 0.0 113.569 -179.12 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -56.2 137.27 52.19 Favored 'General case' 0 C--N 1.325 -0.462 0 N-CA-C 106.959 -1.497 . . . . 0.0 106.959 176.977 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 27' ' ' TYR . . . . . 0.618 ' CZ ' ' CZ3' ' A' ' 77' ' ' TRP . 10.0 m-85 -64.13 -16.31 61.58 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.635 1.209 . . . . 0.0 113.233 -178.184 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 43.1 tttt -84.48 -27.81 27.2 Favored 'General case' 0 C--N 1.326 -0.416 0 O-C-N 124.381 1.051 . . . . 0.0 111.734 -179.04 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 2.4 p30 -79.91 -33.6 39.68 Favored 'General case' 0 C--N 1.326 -0.417 0 O-C-N 124.699 1.249 . . . . 0.0 108.253 179.022 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 2.1 t -67.53 -35.46 73.26 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 N-CA-C 107.533 -1.284 . . . . 0.0 107.533 178.196 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -74.94 -23.19 58.28 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 114.256 -1.338 . . . . 0.0 109.137 179.396 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -102.13 17.72 22.61 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.376 1.048 . . . . 0.0 110.771 -179.783 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 1.9 mmtt -129.28 -76.58 0.55 Allowed 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.43 1.082 . . . . 0.0 108.537 179.306 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -51.26 -44.43 61.76 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.835 1.335 . . . . 0.0 109.359 178.476 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . 51.61 64.25 1.92 Allowed 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 114.53 -1.213 . . . . 0.0 110.605 178.736 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 48.01 31.29 8.0 Favored Glycine 0 CA--C 1.529 0.923 0 O-C-N 124.544 1.152 . . . . 0.0 111.353 179.512 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -54.23 -58.13 8.53 Favored 'General case' 0 C--N 1.327 -0.41 0 O-C-N 124.483 0.754 . . . . 0.0 109.785 -179.953 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . 65.17 162.14 0.13 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.463 1.102 . . . . 0.0 111.051 178.977 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 117.1 -2.77 19.11 Favored Glycine 0 CA--C 1.529 0.956 0 CA-C-N 114.71 -1.132 . . . . 0.0 112.362 179.578 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -144.51 9.9 1.41 Allowed 'General case' 0 N--CA 1.451 -0.407 0 O-C-N 124.378 0.693 . . . . 0.0 112.21 -179.38 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -50.97 -16.7 0.47 Allowed 'General case' 0 C--N 1.323 -0.568 0 N-CA-C 113.55 0.944 . . . . 0.0 113.55 -179.308 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -75.49 -57.62 3.78 Favored 'General case' 0 C--N 1.323 -0.562 0 O-C-N 124.377 1.048 . . . . 0.0 109.371 -179.887 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 9.9 pm0 -81.04 4.1 20.9 Favored 'General case' 0 CA--C 1.536 0.404 0 O-C-N 124.437 1.085 . . . . 0.0 110.891 178.788 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 1.1 tm? -92.98 -33.25 14.22 Favored 'General case' 0 C--N 1.324 -0.532 0 N-CA-C 106.458 -1.682 . . . . 0.0 106.458 177.187 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -78.09 -24.78 47.47 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 113.869 -1.514 . . . . 0.0 108.114 177.808 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 46' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -77.08 -24.31 51.85 Favored 'General case' 0 CA--C 1.537 0.458 0 CA-C-N 114.231 -1.35 . . . . 0.0 109.248 179.881 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 2.3 mmt180 -71.42 -34.46 70.34 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 125.32 1.638 . . . . 0.0 108.695 177.828 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 1.6 mt -64.2 -26.42 40.38 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.913 1.383 . . . . 0.0 110.418 179.521 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -118.36 7.8 12.05 Favored 'General case' 0 N--CA 1.448 -0.533 0 O-C-N 124.189 0.93 . . . . 0.0 113.364 -177.881 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 3.2 t-20 -135.36 -3.87 2.38 Favored 'General case' 0 N--CA 1.45 -0.448 0 O-C-N 124.358 1.036 . . . . 0.0 112.515 -179.376 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 77.1 151.63 4.43 Favored Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.095 0.872 . . . . 0.0 111.303 179.797 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -89.77 -148.6 0.19 Allowed 'General case' 0 C--N 1.324 -0.53 0 O-C-N 124.448 0.734 . . . . 0.0 109.628 179.926 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 44.9 mt-30 -135.93 -45.45 0.65 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.369 1.043 . . . . 0.0 110.365 -179.954 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 150.06 75.68 0.02 OUTLIER Glycine 0 CA--C 1.531 1.032 0 O-C-N 124.423 1.077 . . . . 0.0 110.75 -179.799 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 63.6 t -87.16 -49.33 14.85 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.513 0.772 . . . . 0.0 110.063 -179.59 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 56' ' ' TRP . . . . . . . . . . . . . 6.9 m95 -87.91 -25.78 23.05 Favored 'General case' 0 C--N 1.326 -0.42 0 O-C-N 124.491 1.12 . . . . 0.0 108.969 -179.525 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 57' ' ' GLY . . . . . 0.436 ' N ' ' CD ' ' A' ' 58' ' ' PRO . . . 135.25 -53.6 0.77 Allowed Glycine 0 CA--C 1.529 0.944 0 O-C-N 124.447 1.092 . . . . 0.0 112.718 179.695 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 58' ' ' PRO . . . . . 0.436 ' CD ' ' N ' ' A' ' 57' ' ' GLY . 33.9 Cg_exo -45.15 153.73 0.49 Allowed 'Trans proline' 0 C--N 1.359 1.124 0 O-C-N 124.48 1.779 . . . . 0.0 112.212 -178.722 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 59' ' ' ILE . . . . . . . . . . . . . 0.9 OUTLIER -50.93 138.54 24.25 Favored Pre-proline 0 C--N 1.327 -0.407 0 O-C-N 124.469 1.106 . . . . 0.0 109.515 -179.885 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 60' ' ' PRO . . . . . . . . . . . . . 6.8 Cg_exo -42.64 148.97 0.39 Allowed 'Trans proline' 0 C--N 1.359 1.114 0 O-C-N 124.595 1.84 . . . . 0.0 112.459 -179.396 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 61' ' ' MET . . . . . . . . . . . . . 5.9 ttp -64.27 139.07 97.61 Favored Pre-proline 0 C--N 1.327 -0.393 0 CA-C-N 114.905 -1.043 . . . . 0.0 111.554 -179.91 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 62' ' ' PRO . . . . . . . . . . . . . 2.1 Cg_endo -49.79 131.27 28.87 Favored 'Trans proline' 0 C--N 1.361 1.218 0 O-C-N 124.669 1.879 . . . . 0.0 110.53 179.336 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 63' ' ' PRO . . . . . . . . . . . . . 28.5 Cg_endo -76.8 164.22 30.34 Favored 'Trans proline' 0 C--N 1.359 1.1 0 O-C-N 124.334 1.702 . . . . 0.0 111.813 -179.64 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 64' ' ' ASN . . . . . 0.414 ' ND2' ' N ' ' A' ' 65' ' ' ALA . 4.3 p-10 44.07 -149.17 0.06 Allowed 'General case' 0 C--N 1.326 -0.421 0 O-C-N 124.865 1.353 . . . . 0.0 110.57 179.673 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 65' ' ' ALA . . . . . 0.414 ' N ' ' ND2' ' A' ' 64' ' ' ASN . . . 79.95 18.83 0.66 Allowed 'General case' 0 C--N 1.326 -0.436 0 O-C-N 123.966 0.791 . . . . 0.0 110.4 -179.105 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -163.48 -170.12 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.374 1.047 . . . . 0.0 109.587 178.81 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 12.5 p -145.9 165.12 29.86 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 114.605 -1.18 . . . . 0.0 109.499 179.827 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 40.3 t0 -61.21 145.61 50.57 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.547 1.154 . . . . 0.0 108.898 179.775 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER 85.58 -34.82 0.05 OUTLIER 'General case' 0 C--N 1.323 -0.575 0 O-C-N 124.646 1.216 . . . . 0.0 110.142 -179.071 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 26.8 mm-40 -79.54 -31.38 42.06 Favored 'General case' 0 C--N 1.323 -0.558 0 O-C-N 124.609 1.193 . . . . 0.0 108.519 178.685 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -87.77 -33.36 18.69 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.878 1.361 . . . . 0.0 108.077 178.455 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 5.2 tt0 -58.81 -42.28 88.75 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.719 1.262 . . . . 0.0 111.244 179.988 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -69.75 -41.58 75.02 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.344 1.027 . . . . 0.0 110.419 -179.816 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 2.9 mm? -71.75 -19.37 62.04 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.569 1.168 . . . . 0.0 110.669 -179.355 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -83.68 -20.11 34.12 Favored 'General case' 0 C--N 1.326 -0.43 0 O-C-N 124.161 0.913 . . . . 0.0 110.218 -179.789 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 28.4 ttmt -83.51 -21.01 32.91 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.55 1.156 . . . . 0.0 109.875 -179.557 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 77' ' ' TRP . . . . . 0.618 ' CZ3' ' CZ ' ' A' ' 27' ' ' TYR . 35.3 t90 -87.9 -40.18 14.17 Favored 'General case' 0 C--N 1.324 -0.526 0 N-CA-C 106.719 -1.585 . . . . 0.0 106.719 178.986 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 1.2 t -57.82 -50.38 77.88 Favored 'Isoleucine or valine' 0 CA--C 1.544 0.742 0 N-CA-C 105.553 -2.017 . . . . 0.0 105.553 176.299 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -65.6 -82.01 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 113.592 -1.64 . . . . 0.0 108.311 179.007 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -57.7 99.58 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.762 1.289 . . . . 0.0 109.463 179.649 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 81' ' ' GLN . . . . . . . . . . . . . 11.8 pt20 -66.8 -157.79 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.579 1.175 . . . . 0.0 110.454 -179.718 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.327 -0.413 0 O-C-N 124.369 1.043 . . . . 0.0 109.262 179.914 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 29.6 m-20 . . . . . 0 N--CA 1.453 -0.278 0 N-CA-C 109.209 -0.663 . . . . 0.0 109.209 . . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 3' ' ' PRO . . . . . . . . . . . . . 19.1 Cg_endo -77.07 -18.86 14.16 Favored 'Trans proline' 0 C--N 1.36 1.165 0 O-C-N 124.47 1.773 . . . . 0.0 111.266 179.785 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 11.9 mt-10 -81.59 -23.93 36.78 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.548 1.155 . . . . 0.0 109.866 179.613 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 73.5 t -87.51 -28.61 5.6 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.57 1.169 . . . . 0.0 108.813 179.455 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -82.52 -32.42 28.69 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.654 1.221 . . . . 0.0 108.811 179.528 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 7' ' ' PHE . . . . . 0.524 ' CD1' ' CB ' ' A' ' 12' ' ' CYS . 2.7 t80 -67.02 -27.17 67.19 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.717 1.26 . . . . 0.0 110.703 179.94 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -89.83 -21.94 22.33 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.465 1.103 . . . . 0.0 109.872 179.93 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 8.4 t30 -116.03 59.89 0.72 Allowed 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.508 1.13 . . . . 0.0 109.252 -179.885 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 1.3 tptp -155.46 -44.4 0.08 Allowed 'General case' 0 C--N 1.327 -0.375 0 O-C-N 124.359 1.037 . . . . 0.0 110.367 -179.838 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 136.35 -6.73 3.96 Favored Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.343 1.027 . . . . 0.0 111.921 -179.634 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 12' ' ' CYS . . . . . 0.524 ' CB ' ' CD1' ' A' ' 7' ' ' PHE . 57.5 m -57.3 -60.8 3.09 Favored 'General case' 0 N--CA 1.448 -0.544 0 O-C-N 124.098 0.528 . . . . 0.0 109.92 -179.772 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 0.4 OUTLIER -61.82 -5.14 1.09 Allowed 'Isoleucine or valine' 0 CA--C 1.536 0.435 0 N-CA-C 114.503 1.298 . . . . 0.0 114.503 -176.39 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -52.4 -28.39 19.55 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 125.869 1.98 . . . . 0.0 108.064 179.412 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 1.6 p -156.29 16.03 0.33 Allowed 'General case' 0 C--O 1.238 0.448 0 O-C-N 124.984 1.428 . . . . 0.0 112.161 -179.297 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 2.1 m-70 -98.83 -73.29 0.63 Allowed 'General case' 0 C--N 1.326 -0.456 0 N-CA-C 114.111 1.152 . . . . 0.0 114.111 -178.559 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . 70.14 157.73 0.17 Allowed 'General case' 0 CA--C 1.538 0.507 0 N-CA-C 107.247 -1.39 . . . . 0.0 107.247 -175.758 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 0.8 OUTLIER -92.17 -57.03 4.6 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.373 0 O-C-N 124.47 1.106 . . . . 0.0 111.254 -178.652 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 6.2 p-10 -98.86 16.72 21.44 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 115.166 -0.925 . . . . 0.0 111.282 -179.138 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -130.95 158.8 39.28 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.477 1.11 . . . . 0.0 110.288 179.567 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 15.4 mttt -119.06 165.44 14.13 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.511 1.132 . . . . 0.0 109.579 -179.611 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 22' ' ' MET . . . . . . . . . . . . . 1.5 tpp -175.0 -93.72 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.399 1.062 . . . . 0.0 110.602 179.689 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 8.3 t -97.13 -45.83 12.76 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.445 0 N-CA-C 107.817 -1.179 . . . . 0.0 107.817 178.342 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -102.89 172.44 21.72 Favored Glycine 0 CA--C 1.532 1.152 0 O-C-N 124.731 1.269 . . . . 0.0 110.962 179.683 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 25' ' ' PRO . . . . . . . . . . . . . 61.9 Cg_endo -73.71 152.44 47.67 Favored 'Trans proline' 0 C--N 1.359 1.099 0 O-C-N 124.369 1.72 . . . . 0.0 112.592 -178.886 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -75.42 128.01 34.4 Favored 'General case' 0 C--N 1.325 -0.495 0 N-CA-C 106.512 -1.662 . . . . 0.0 106.512 176.852 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 27' ' ' TYR . . . . . 0.613 ' CE2' ' CZ3' ' A' ' 77' ' ' TRP . 9.1 m-85 -55.14 -27.68 47.26 Favored 'General case' 0 C--N 1.323 -0.566 0 O-C-N 124.759 1.287 . . . . 0.0 111.222 -178.217 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -68.82 -45.03 72.24 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.598 1.186 . . . . 0.0 109.447 179.876 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 7.1 m-20 -62.25 -36.65 82.67 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.825 1.328 . . . . 0.0 110.328 -179.752 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 64.6 t -72.97 -31.23 34.85 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 N-CA-C 107.155 -1.424 . . . . 0.0 107.155 178.41 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -91.5 17.35 8.77 Favored 'General case' 0 CA--C 1.534 0.363 0 CA-C-N 114.28 -1.327 . . . . 0.0 109.357 178.542 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -137.37 10.71 2.99 Favored 'General case' 0 CA--C 1.538 0.497 0 CA-C-N 115.208 -0.905 . . . . 0.0 110.159 178.791 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -139.12 -57.45 0.6 Allowed 'General case' 0 C--N 1.323 -0.551 0 O-C-N 124.66 1.225 . . . . 0.0 108.827 179.058 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 9.5 m-85 -87.95 -5.27 58.62 Favored 'General case' 0 C--N 1.326 -0.421 0 O-C-N 124.316 1.01 . . . . 0.0 112.656 -179.962 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -72.84 147.26 45.59 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.386 1.054 . . . . 0.0 109.206 179.979 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 92.61 -29.8 7.51 Favored Glycine 0 CA--C 1.532 1.123 0 N-CA-C 110.165 -1.174 . . . . 0.0 110.165 -179.165 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 8.1 pt20 -105.56 140.74 38.19 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.538 0.787 . . . . 0.0 109.445 179.091 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -148.9 107.13 3.74 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.536 1.147 . . . . 0.0 109.796 -179.622 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . -144.96 25.26 1.92 Allowed Glycine 0 CA--C 1.531 1.039 0 O-C-N 124.536 1.148 . . . . 0.0 111.488 179.863 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 40' ' ' ALA . . . . . 0.406 ' C ' ' CG ' ' A' ' 41' ' ' GLU . . . -148.37 -94.55 0.08 Allowed 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.564 0.802 . . . . 0.0 109.783 179.868 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 41' ' ' GLU . . . . . 0.406 ' CG ' ' C ' ' A' ' 40' ' ' ALA . 0.0 OUTLIER 49.0 23.17 0.67 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.106 0.879 . . . . 0.0 110.646 -179.527 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -134.74 -57.03 0.83 Allowed 'General case' 0 CA--C 1.541 0.619 0 N-CA-C 105.918 -1.882 . . . . 0.0 105.918 177.707 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 3.1 tt0 -84.26 2.84 38.2 Favored 'General case' 0 CA--C 1.543 0.679 0 O-C-N 125.454 1.721 . . . . 0.0 109.562 175.085 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -90.77 -36.1 14.48 Favored 'General case' 0 C--N 1.323 -0.558 0 N-CA-C 106.816 -1.55 . . . . 0.0 106.816 177.711 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -73.56 -25.91 60.59 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 114.218 -1.355 . . . . 0.0 108.825 178.368 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 46' ' ' GLN . . . . . 0.413 ' O ' ' CB ' ' A' ' 50' ' ' ASN . 47.3 mm-40 -77.1 -24.83 51.74 Favored 'General case' 0 CA--C 1.537 0.458 0 CA-C-N 114.318 -1.31 . . . . 0.0 109.257 179.94 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -71.66 -37.56 70.78 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 125.461 1.726 . . . . 0.0 108.772 177.846 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 68.1 mt -55.66 -33.85 34.51 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 125.26 1.6 . . . . 0.0 110.146 179.478 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 9.5 mmtt -117.59 7.51 12.64 Favored 'General case' 0 N--CA 1.449 -0.495 0 N-CA-C 114.569 1.322 . . . . 0.0 114.569 -177.22 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 50' ' ' ASN . . . . . 0.413 ' CB ' ' O ' ' A' ' 46' ' ' GLN . 57.7 t30 -126.01 -5.38 6.79 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 123.988 0.805 . . . . 0.0 111.011 179.58 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 83.44 136.17 2.81 Favored Glycine 0 CA--C 1.529 0.946 0 O-C-N 124.292 0.995 . . . . 0.0 111.512 179.547 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -87.25 -9.71 54.35 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.36 0.682 . . . . 0.0 111.29 179.877 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER 86.34 -39.73 0.04 OUTLIER 'General case' 0 C--N 1.324 -0.542 0 O-C-N 124.399 1.062 . . . . 0.0 111.911 179.608 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 135.68 96.78 0.5 Allowed Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.385 1.053 . . . . 0.0 111.051 -179.838 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 75.3 t -110.6 -31.1 2.28 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.5 0 O-C-N 124.538 0.787 . . . . 0.0 109.856 -179.801 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 56' ' ' TRP . . . . . . . . . . . . . 5.8 m95 -102.45 -41.66 6.23 Favored 'General case' 0 C--N 1.326 -0.425 0 O-C-N 124.373 1.046 . . . . 0.0 108.552 -179.822 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -144.16 174.19 24.57 Favored Glycine 0 CA--C 1.53 0.979 0 O-C-N 124.392 1.058 . . . . 0.0 110.986 -179.842 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 58' ' ' PRO . . . . . . . . . . . . . 28.5 Cg_endo -82.93 78.74 3.2 Favored 'Trans proline' 0 C--N 1.358 1.052 0 O-C-N 124.378 1.725 . . . . 0.0 111.19 -179.661 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 59' ' ' ILE . . . . . . . . . . . . . 1.2 tt -172.33 113.26 0.38 Allowed Pre-proline 0 C--N 1.325 -0.487 0 O-C-N 124.411 1.069 . . . . 0.0 109.181 179.855 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 60' ' ' PRO . . . . . . . . . . . . . 29.7 Cg_endo -80.02 115.49 3.28 Favored 'Trans proline' 0 C--N 1.359 1.109 0 O-C-N 124.388 1.73 . . . . 0.0 112.333 -179.144 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 61' ' ' MET . . . . . . . . . . . . . 5.5 ttp -43.7 138.38 3.05 Favored Pre-proline 0 C--N 1.325 -0.481 0 O-C-N 124.483 1.114 . . . . 0.0 112.132 179.669 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 62' ' ' PRO . . . . . . . . . . . . . 23.3 Cg_exo -45.37 105.75 0.08 OUTLIER 'Trans proline' 0 C--N 1.361 1.237 0 O-C-N 124.526 1.803 . . . . 0.0 111.672 179.805 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 63' ' ' PRO . . . . . . . . . . . . . 38.2 Cg_endo -81.97 93.27 0.94 Allowed 'Trans proline' 0 C--N 1.359 1.089 0 O-C-N 124.291 1.679 . . . . 0.0 111.136 -179.72 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 41.6 t30 -135.71 86.86 2.27 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.177 0.923 . . . . 0.0 109.651 179.958 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -41.35 138.45 1.23 Allowed 'General case' 0 N--CA 1.449 -0.507 0 O-C-N 124.505 1.128 . . . . 0.0 112.882 -179.232 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 2.3 t -117.66 -71.52 0.72 Allowed 'Isoleucine or valine' 0 CA--C 1.536 0.416 0 CA-C-N 114.882 -1.054 . . . . 0.0 108.397 178.998 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 89.6 p -175.88 -138.14 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.741 1.276 . . . . 0.0 109.459 -179.773 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 6.8 m-20 -144.27 44.0 1.42 Allowed 'General case' 0 C--N 1.324 -0.539 0 O-C-N 124.13 0.893 . . . . 0.0 109.214 179.559 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -149.55 -66.02 0.22 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.719 1.262 . . . . 0.0 110.059 179.924 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 2.1 mt-10 -56.66 -36.61 69.76 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.539 1.149 . . . . 0.0 108.706 179.63 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -80.02 -32.03 39.58 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-N 114.144 -1.389 . . . . 0.0 108.909 178.97 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -65.09 -16.81 63.88 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.555 1.159 . . . . 0.0 111.581 -179.694 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 3.0 m -84.32 -45.27 12.97 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.265 0.978 . . . . 0.0 111.104 -179.653 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -81.74 -8.07 59.66 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.464 1.102 . . . . 0.0 111.329 -179.316 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -85.19 -34.74 21.99 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.201 0.938 . . . . 0.0 109.809 -179.871 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 4.5 ptmt -82.05 -15.85 52.12 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.553 1.158 . . . . 0.0 110.345 -179.47 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 77' ' ' TRP . . . . . 0.613 ' CZ3' ' CE2' ' A' ' 27' ' ' TYR . 38.6 t90 -88.31 -34.53 17.63 Favored 'General case' 0 C--N 1.324 -0.521 0 N-CA-C 106.931 -1.507 . . . . 0.0 106.931 179.038 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 78' ' ' VAL . . . . . 0.449 ' CG1' ' N ' ' A' ' 79' ' ' LEU . 0.8 OUTLIER -64.79 -53.78 37.83 Favored 'Isoleucine or valine' 0 CA--C 1.543 0.689 0 N-CA-C 106.246 -1.761 . . . . 0.0 106.246 176.964 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 79' ' ' LEU . . . . . 0.449 ' N ' ' CG1' ' A' ' 78' ' ' VAL . 9.4 tp -60.95 -64.38 0.97 Allowed 'General case' 0 N--CA 1.453 -0.311 0 CA-C-N 113.625 -1.625 . . . . 0.0 110.239 -178.624 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -107.41 117.0 32.95 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.393 1.058 . . . . 0.0 109.973 -179.782 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 81' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -51.27 -49.65 60.78 Favored 'General case' 0 C--N 1.327 -0.401 0 O-C-N 124.38 1.05 . . . . 0.0 110.146 -179.912 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 1.5 ptpp? . . . . . 0 C--N 1.326 -0.444 0 O-C-N 124.424 1.078 . . . . 0.0 109.187 179.527 . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 1' ' ' GLU . . . . . . . . . . . . . 39.9 mm-40 . . . . . 0 N--CA 1.453 -0.313 0 N-CA-C 110.268 -0.271 . . . . 0.0 110.268 . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -128.98 145.85 58.28 Favored Pre-proline 0 C--N 1.325 -0.475 0 O-C-N 124.572 1.17 . . . . 0.0 109.118 179.999 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 3' ' ' PRO . . . . . . . . . . . . . 16.6 Cg_endo -77.42 -14.72 16.12 Favored 'Trans proline' 0 C--N 1.359 1.101 0 O-C-N 124.571 1.827 . . . . 0.0 111.947 -179.354 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 9.2 pt-20 -80.8 -28.16 36.37 Favored 'General case' 0 C--N 1.323 -0.555 0 O-C-N 124.707 1.254 . . . . 0.0 108.925 179.026 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 43.0 t -83.63 -29.18 7.6 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.435 0 CA-C-N 114.284 -1.325 . . . . 0.0 108.194 178.662 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 11.0 mt -81.87 -27.7 33.35 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.73 1.269 . . . . 0.0 108.833 179.328 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 7' ' ' PHE . . . . . 0.503 ' CE1' ' CE1' ' A' ' 27' ' ' TYR . 0.5 OUTLIER -69.65 -23.47 63.48 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.809 1.318 . . . . 0.0 110.283 179.54 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -105.03 0.43 27.62 Favored 'General case' 0 N--CA 1.45 -0.432 0 O-C-N 124.317 1.01 . . . . 0.0 111.689 -179.628 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -94.38 -8.79 37.74 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.22 0.95 . . . . 0.0 112.031 -178.619 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -109.41 -91.75 0.44 Allowed 'General case' 0 C--N 1.323 -0.58 0 O-C-N 124.234 0.959 . . . . 0.0 108.945 -179.835 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -169.75 26.81 0.11 Allowed Glycine 0 CA--C 1.528 0.85 0 O-C-N 124.481 1.113 . . . . 0.0 112.103 179.868 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 11.4 m -66.9 -50.4 62.56 Favored 'General case' 0 N--CA 1.449 -0.509 0 N-CA-C 108.615 -0.883 . . . . 0.0 108.615 179.864 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 0.4 OUTLIER -62.43 -4.92 1.18 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.718 1.261 . . . . 0.0 113.823 -177.523 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -52.82 -28.74 24.03 Favored 'General case' 0 C--N 1.324 -0.535 0 O-C-N 125.501 1.75 . . . . 0.0 107.934 178.277 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 1.8 p -163.13 20.29 0.08 Allowed 'General case' 0 C--O 1.238 0.49 0 O-C-N 124.927 1.392 . . . . 0.0 112.594 -179.504 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 16' ' ' HIS . . . . . 0.401 ' CD2' ' NC ' ' A' ' 83' ' ' HEM . 3.7 m-70 -100.33 -69.0 0.79 Allowed 'General case' 0 N--CA 1.451 -0.41 0 N-CA-C 113.486 0.921 . . . . 0.0 113.486 -179.032 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . 70.24 151.73 0.1 Allowed 'General case' 0 CA--C 1.539 0.527 0 N-CA-C 108.504 -0.924 . . . . 0.0 108.504 -177.702 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 18' ' ' ILE . . . . . 0.477 ' N ' ' CD1' ' A' ' 18' ' ' ILE . 2.6 mm -99.39 33.8 0.29 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 N-CA-C 107.121 -1.437 . . . . 0.0 107.121 -179.656 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER 174.51 9.83 0.0 OUTLIER 'General case' 0 C--O 1.243 0.755 0 N-CA-C 116.819 2.155 . . . . 0.0 116.819 178.976 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -142.22 163.64 32.31 Favored 'General case' 0 C--N 1.323 -0.572 0 CA-C-N 118.522 0.601 . . . . 0.0 111.304 178.945 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 23.5 tttt -113.19 149.6 33.46 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.517 1.136 . . . . 0.0 110.174 -179.525 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 22' ' ' MET . . . . . . . . . . . . . 0.8 OUTLIER -157.55 -85.2 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.484 0 CA-C-N 114.711 -1.131 . . . . 0.0 109.715 179.562 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 17.4 t -108.97 -50.61 7.05 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.513 0 N-CA-C 107.471 -1.307 . . . . 0.0 107.471 177.862 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -95.73 168.27 26.27 Favored Glycine 0 CA--C 1.536 1.344 0 N-CA-C 110.016 -1.234 . . . . 0.0 110.016 178.593 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 25' ' ' PRO . . . . . 0.664 ' CD ' ' CHA' ' A' ' 83' ' ' HEM . 73.8 Cg_endo -71.69 143.03 40.99 Favored 'Trans proline' 0 C--N 1.358 1.043 0 C-N-CA 122.156 1.904 . . . . 0.0 112.111 -179.23 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -68.04 126.44 29.48 Favored 'General case' 0 CA--C 1.544 0.717 0 N-CA-C 105.276 -2.12 . . . . 0.0 105.276 175.2 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 27' ' ' TYR . . . . . 0.516 ' CE2' ' CE3' ' A' ' 77' ' ' TRP . 10.9 m-85 -58.3 -41.46 84.49 Favored 'General case' 0 C--N 1.321 -0.64 0 O-C-N 125.524 1.765 . . . . 0.0 109.333 -179.309 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 1.7 ttpm? -67.04 -30.06 70.03 Favored 'General case' 0 CA--C 1.536 0.438 0 O-C-N 125.292 1.62 . . . . 0.0 109.813 179.901 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 11.7 m-20 -71.9 -32.63 67.6 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.817 1.323 . . . . 0.0 109.111 179.652 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 3.8 t -64.01 -33.5 62.62 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.52 0 N-CA-C 107.151 -1.426 . . . . 0.0 107.151 178.713 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -72.29 -30.77 65.13 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 114.205 -1.361 . . . . 0.0 108.974 179.055 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -90.78 14.22 14.15 Favored 'General case' 0 C--N 1.328 -0.354 0 O-C-N 124.555 1.159 . . . . 0.0 111.386 -179.256 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -124.49 -78.8 0.6 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.466 1.104 . . . . 0.0 108.547 178.777 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 0.5 OUTLIER -49.17 -65.63 0.53 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.749 1.281 . . . . 0.0 109.503 178.745 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . 37.18 86.98 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.508 0 N-CA-C 114.22 1.192 . . . . 0.0 114.22 177.688 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 86.7 37.04 8.87 Favored Glycine 0 CA--C 1.53 0.974 0 O-C-N 124.038 0.837 . . . . 0.0 111.416 178.891 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -135.09 79.98 1.82 Allowed 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.631 0.842 . . . . 0.0 110.052 179.964 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -111.54 90.45 3.34 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 114.835 -1.075 . . . . 0.0 109.679 -179.66 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . -135.37 10.99 4.38 Favored Glycine 0 CA--C 1.529 0.918 0 O-C-N 124.515 1.134 . . . . 0.0 111.809 179.587 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -131.2 -105.14 0.27 Allowed 'General case' 0 C--N 1.325 -0.466 0 N-CA-C 108.611 -0.885 . . . . 0.0 108.611 179.712 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 4.2 tt0 84.98 -35.57 0.05 Allowed 'General case' 0 C--N 1.323 -0.586 0 O-C-N 124.319 1.012 . . . . 0.0 111.247 -179.866 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -86.81 -44.96 11.33 Favored 'General case' 0 C--N 1.324 -0.539 0 O-C-N 124.397 1.061 . . . . 0.0 108.436 179.284 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 8.6 tt0 -87.05 -4.84 59.19 Favored 'General case' 0 CA--C 1.541 0.606 0 O-C-N 125.111 1.507 . . . . 0.0 110.96 179.053 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -87.97 -33.92 18.25 Favored 'General case' 0 C--N 1.322 -0.604 0 N-CA-C 106.368 -1.715 . . . . 0.0 106.368 176.856 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -78.88 -24.32 44.29 Favored 'General case' 0 CA--C 1.54 0.563 0 CA-C-N 114.101 -1.408 . . . . 0.0 107.308 176.346 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 46' ' ' GLN . . . . . . . . . . . . . 29.4 tp60 -71.41 -21.76 61.95 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 114.06 -1.427 . . . . 0.0 109.44 179.653 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 5.5 mpt_? -76.39 -35.37 58.65 Favored 'General case' 0 CA--C 1.539 0.531 0 O-C-N 125.209 1.568 . . . . 0.0 107.994 177.417 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 14.9 mt -70.82 -8.37 10.88 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.397 0 O-C-N 125.173 1.546 . . . . 0.0 110.283 178.701 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 1.3 tttt -129.83 3.05 4.9 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.293 0.996 . . . . 0.0 112.038 -178.946 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -144.98 7.47 1.2 Allowed 'General case' 0 N--CA 1.451 -0.409 0 O-C-N 124.157 0.911 . . . . 0.0 112.31 -179.225 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 80.27 152.0 7.64 Favored Glycine 0 CA--C 1.531 1.043 0 O-C-N 124.115 0.885 . . . . 0.0 111.311 179.536 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 52' ' ' SER . . . . . 0.405 ' CB ' HAD1 ' A' ' 83' ' ' HEM . 0.3 OUTLIER -72.77 -165.56 0.22 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.536 0.786 . . . . 0.0 110.086 179.971 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 4.1 mm100 -114.4 -30.97 6.4 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.583 1.177 . . . . 0.0 110.507 -179.778 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 118.47 97.05 1.8 Allowed Glycine 0 CA--C 1.531 1.05 0 O-C-N 124.39 1.056 . . . . 0.0 110.887 -179.916 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 18.0 t -128.22 -43.32 0.91 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.5 0.764 . . . . 0.0 109.96 -179.816 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 56' ' ' TRP . . . . . 0.443 ' CD1' ' N ' ' A' ' 56' ' ' TRP . 0.0 OUTLIER -110.41 -30.92 7.47 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.452 1.095 . . . . 0.0 108.215 179.932 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -138.93 143.55 14.25 Favored Glycine 0 CA--C 1.53 0.988 0 O-C-N 124.483 1.115 . . . . 0.0 110.962 -179.934 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 58' ' ' PRO . . . . . . . . . . . . . 44.1 Cg_endo -83.08 15.06 2.18 Favored 'Trans proline' 0 C--N 1.36 1.148 0 O-C-N 124.333 1.702 . . . . 0.0 112.555 -179.508 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 59' ' ' ILE . . . . . . . . . . . . . 0.5 OUTLIER -119.05 95.84 49.67 Favored Pre-proline 0 C--N 1.325 -0.474 0 O-C-N 124.288 0.993 . . . . 0.0 109.782 -179.704 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 60' ' ' PRO . . . . . . . . . . . . . 1.6 Cg_endo -52.93 148.51 29.31 Favored 'Trans proline' 0 C--N 1.363 1.307 0 O-C-N 124.487 1.783 . . . . 0.0 110.713 179.396 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 61' ' ' MET . . . . . 0.556 ' CB ' ' C1D' ' A' ' 83' ' ' HEM . 0.9 OUTLIER -78.01 140.19 61.92 Favored Pre-proline 0 C--N 1.325 -0.471 0 O-C-N 124.682 1.239 . . . . 0.0 112.041 -179.319 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 62' ' ' PRO . . . . . . . . . . . . . 34.5 Cg_exo -41.33 109.51 0.11 Allowed 'Trans proline' 0 C--N 1.362 1.276 0 O-C-N 124.603 1.844 . . . . 0.0 112.386 -178.757 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 63' ' ' PRO . . . . . . . . . . . . . 1.7 Cg_endo -68.18 154.48 72.25 Favored 'Trans proline' 0 C--N 1.362 1.254 0 O-C-N 124.367 1.72 . . . . 0.0 110.707 179.611 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 7.5 m120 72.35 134.91 0.04 OUTLIER 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.639 1.212 . . . . 0.0 109.494 -179.949 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -170.27 -42.54 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.472 0 CA-C-N 114.901 -1.045 . . . . 0.0 109.058 -179.985 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 15.6 m -141.01 -146.73 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.423 0 O-C-N 124.457 1.098 . . . . 0.0 108.897 179.722 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 30.8 t -98.84 -92.44 0.26 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.485 1.116 . . . . 0.0 110.004 -179.995 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 3.3 t0 -172.25 34.46 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.406 1.066 . . . . 0.0 109.253 179.984 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 21.7 t0 -130.77 -56.93 1.05 Allowed 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.524 1.14 . . . . 0.0 108.531 179.395 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 3.3 mm-40 -60.37 -23.38 64.25 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.767 1.292 . . . . 0.0 109.43 178.87 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -84.99 -42.13 15.19 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.652 1.22 . . . . 0.0 108.66 179.247 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 33.3 tt0 -50.81 -30.17 13.57 Favored 'General case' 0 C--N 1.326 -0.414 0 O-C-N 124.652 1.22 . . . . 0.0 110.654 179.902 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 2.9 m -72.83 -51.15 19.98 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.448 1.092 . . . . 0.0 110.502 179.997 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -74.16 -2.47 24.81 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.451 1.095 . . . . 0.0 110.558 179.651 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -90.32 -23.36 21.16 Favored 'General case' 0 C--N 1.324 -0.533 0 O-C-N 124.201 0.938 . . . . 0.0 110.34 -179.213 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 5.4 tptt -95.28 -17.77 21.39 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.201 0.938 . . . . 0.0 109.191 179.856 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 77' ' ' TRP . . . . . 0.516 ' CE3' ' CE2' ' A' ' 27' ' ' TYR . 28.2 t90 -72.14 -39.8 68.53 Favored 'General case' 0 C--N 1.324 -0.525 0 N-CA-C 107.161 -1.422 . . . . 0.0 107.161 179.017 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -59.76 -63.05 0.8 Allowed 'Isoleucine or valine' 0 CA--C 1.548 0.891 0 O-C-N 125.058 1.474 . . . . 0.0 107.228 178.929 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -56.08 -26.48 49.69 Favored 'General case' 0 N--CA 1.45 -0.445 0 CA-C-N 114.511 -1.222 . . . . 0.0 111.361 -179.505 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 5.0 m -118.56 62.05 0.78 Allowed 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.779 1.299 . . . . 0.0 111.486 -178.781 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 81' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -107.45 152.24 24.47 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.551 1.157 . . . . 0.0 109.266 178.693 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 C--N 1.325 -0.496 0 O-C-N 124.504 1.128 . . . . 0.0 109.333 -179.65 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 83' ' ' HEM . . . . . 0.664 ' CHA' ' CD ' ' A' ' 25' ' ' PRO . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 1' ' ' GLU . . . . . . . . . . . . . 1.3 tp10 . . . . . 0 N--CA 1.453 -0.289 0 N-CA-C 110.237 -0.282 . . . . 0.0 110.237 . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 7.3 m-20 -170.25 62.8 0.43 Allowed Pre-proline 0 C--N 1.325 -0.466 0 O-C-N 124.497 1.123 . . . . 0.0 108.953 179.762 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 3' ' ' PRO . . . . . . . . . . . . . 42.0 Cg_endo -82.81 -21.85 4.68 Favored 'Trans proline' 0 C--N 1.359 1.088 0 O-C-N 124.435 1.755 . . . . 0.0 110.007 -179.996 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 2.2 mt-10 -82.42 -24.15 34.51 Favored 'General case' 0 C--N 1.324 -0.538 0 O-C-N 124.831 1.332 . . . . 0.0 109.091 178.243 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 2.2 t -85.12 -28.83 6.49 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.356 0 O-C-N 124.758 1.286 . . . . 0.0 108.39 178.798 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -81.84 -31.02 31.85 Favored 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.718 1.261 . . . . 0.0 108.339 178.912 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 7' ' ' PHE . . . . . 0.519 ' CG ' ' CH2' ' A' ' 77' ' ' TRP . 11.1 t80 -66.34 -24.72 66.57 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.821 1.326 . . . . 0.0 111.484 -179.94 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -98.69 -9.08 25.14 Favored 'General case' 0 C--N 1.326 -0.429 0 O-C-N 124.568 1.168 . . . . 0.0 111.694 -178.881 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 25.3 t-20 -88.93 -63.79 1.24 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.114 0.883 . . . . 0.0 111.509 -178.905 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 2.5 mmpp? -47.32 -36.15 8.99 Favored 'General case' 0 C--N 1.326 -0.421 0 O-C-N 124.117 0.886 . . . . 0.0 111.702 -178.613 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 115.19 26.15 3.58 Favored Glycine 0 CA--C 1.53 0.974 0 O-C-N 124.344 1.028 . . . . 0.0 111.127 -179.853 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 1.8 m -68.39 -48.56 64.37 Favored 'General case' 0 N--CA 1.447 -0.595 0 N-CA-C 108.255 -1.017 . . . . 0.0 108.255 179.965 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 0.3 OUTLIER -63.85 -6.22 2.36 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.983 1.427 . . . . 0.0 113.284 -177.687 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -52.76 -28.56 22.79 Favored 'General case' 0 CA--C 1.539 0.538 0 O-C-N 125.772 1.92 . . . . 0.0 108.031 179.295 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 5.9 p -157.44 17.71 0.27 Allowed 'General case' 0 N--CA 1.45 -0.448 0 O-C-N 124.904 1.377 . . . . 0.0 111.864 -179.328 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 16' ' ' HIS . . . . . 0.533 ' CE1' ' CD ' ' A' ' 25' ' ' PRO . 3.6 m-70 -99.61 -172.62 2.28 Favored 'General case' 0 CA--C 1.54 0.565 0 O-C-N 123.804 0.69 . . . . 0.0 110.699 -179.97 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . 179.09 156.23 0.49 Allowed 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 113.973 -1.467 . . . . 0.0 108.903 178.813 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 0.6 OUTLIER -95.28 -57.56 4.32 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.38 0 O-C-N 124.33 1.019 . . . . 0.0 111.789 -178.872 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 3.3 p-10 -100.49 5.52 44.14 Favored 'General case' 0 N--CA 1.45 -0.446 0 CA-C-N 115.463 -0.789 . . . . 0.0 113.053 -177.909 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -124.8 165.27 18.31 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.212 0.945 . . . . 0.0 110.435 179.63 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 2.2 ttmt -98.62 159.99 14.58 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.691 1.244 . . . . 0.0 110.12 -179.399 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 22' ' ' MET . . . . . . . . . . . . . 1.1 tpt -177.56 -145.93 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.468 0 CA-C-N 114.939 -1.028 . . . . 0.0 110.308 -179.899 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 3.1 t -68.67 -39.62 80.58 Favored 'Isoleucine or valine' 0 CA--C 1.541 0.612 0 N-CA-C 106.201 -1.778 . . . . 0.0 106.201 177.44 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -86.83 -178.16 49.17 Favored Glycine 0 CA--C 1.532 1.129 0 CA-C-N 113.789 -1.551 . . . . 0.0 110.266 178.668 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 25' ' ' PRO . . . . . 0.533 ' CD ' ' CE1' ' A' ' 16' ' ' HIS . 93.3 Cg_endo -102.16 139.65 0.17 Allowed 'Trans proline' 0 C--N 1.353 0.773 0 C-N-CA 122.798 2.332 . . . . 0.0 110.752 -178.26 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -57.82 114.39 2.28 Favored 'General case' 0 C--N 1.324 -0.542 0 N-CA-C 106.489 -1.671 . . . . 0.0 106.489 177.54 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 27' ' ' TYR . . . . . 0.635 ' CE2' ' CE3' ' A' ' 77' ' ' TRP . 3.8 m-85 -58.03 -21.98 47.79 Favored 'General case' 0 C--N 1.324 -0.535 0 O-C-N 124.797 1.311 . . . . 0.0 112.042 -177.705 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -74.53 -43.0 57.89 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.644 1.215 . . . . 0.0 108.859 179.585 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 12.7 m-20 -66.98 -34.05 76.91 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.882 1.364 . . . . 0.0 109.5 179.812 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 2.6 t -71.9 -31.45 40.88 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 N-CA-C 107.704 -1.221 . . . . 0.0 107.704 178.647 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -95.03 12.13 29.59 Favored 'General case' 0 C--N 1.328 -0.344 0 O-C-N 125.036 1.46 . . . . 0.0 110.31 179.831 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -124.56 5.31 8.26 Favored 'General case' 0 CA--C 1.54 0.578 0 O-C-N 123.949 0.781 . . . . 0.0 109.947 178.2 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 4.8 mmtm -122.4 -50.86 1.98 Allowed 'General case' 0 C--N 1.323 -0.579 0 N-CA-C 107.173 -1.417 . . . . 0.0 107.173 177.773 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 13.7 m-85 -93.91 -33.11 13.62 Favored 'General case' 0 CA--C 1.54 0.589 0 CA-C-N 114.343 -1.299 . . . . 0.0 108.85 177.174 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . 50.0 -157.84 0.09 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 125.203 1.565 . . . . 0.0 109.456 179.114 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . -88.21 39.98 3.1 Favored Glycine 0 CA--C 1.531 1.038 0 O-C-N 124.508 1.13 . . . . 0.0 110.859 179.665 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 1.5 mm-40 -66.25 -27.03 67.64 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.345 0.673 . . . . 0.0 109.408 179.332 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . 58.22 -179.84 0.07 Allowed 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 114.678 -1.146 . . . . 0.0 110.103 179.252 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 86.29 -23.03 10.4 Favored Glycine 0 CA--C 1.529 0.938 0 CA-C-N 114.718 -1.128 . . . . 0.0 111.971 -179.891 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -117.81 49.25 1.26 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.23 0.606 . . . . 0.0 109.649 -179.807 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 2.8 pt-20 -115.32 21.53 14.03 Favored 'General case' 0 C--N 1.324 -0.537 0 O-C-N 124.594 1.184 . . . . 0.0 109.927 179.2 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -101.59 -66.17 0.93 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.702 1.251 . . . . 0.0 109.111 -179.996 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -75.41 -1.56 24.49 Favored 'General case' 0 CA--C 1.54 0.577 0 O-C-N 124.647 1.217 . . . . 0.0 110.775 178.647 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -87.16 -34.9 18.89 Favored 'General case' 0 C--N 1.323 -0.565 0 N-CA-C 106.895 -1.52 . . . . 0.0 106.895 176.811 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -74.5 -24.58 59.01 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 125.137 1.523 . . . . 0.0 109.175 178.526 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 46' ' ' GLN . . . . . . . . . . . . . 3.6 mt-30 -81.15 -18.24 47.03 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.815 1.322 . . . . 0.0 109.982 -179.932 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 79.6 mtt180 -75.35 -32.07 60.76 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 125.074 1.484 . . . . 0.0 108.371 177.762 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 21.3 mt -76.76 -16.3 14.79 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.388 0 O-C-N 125.002 1.439 . . . . 0.0 109.925 178.711 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -114.52 -0.76 13.61 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.242 0.963 . . . . 0.0 112.809 -177.839 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 78.8 m-20 -134.91 -9.63 2.34 Favored 'General case' 0 N--CA 1.448 -0.542 0 O-C-N 124.379 1.05 . . . . 0.0 113.405 -179.192 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 74.72 126.86 0.17 Allowed Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.099 0.874 . . . . 0.0 110.98 179.933 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 14.1 t -112.12 166.97 10.78 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.355 0.679 . . . . 0.0 109.692 179.679 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -170.61 106.26 0.29 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.49 1.119 . . . . 0.0 110.465 -179.744 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 133.36 43.35 0.15 Allowed Glycine 0 CA--C 1.53 0.976 0 O-C-N 124.408 1.067 . . . . 0.0 111.165 179.871 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 22.0 t -131.39 -65.19 0.62 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.463 0.743 . . . . 0.0 109.128 179.98 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 56' ' ' TRP . . . . . . . . . . . . . 2.2 m95 -110.44 -43.05 3.95 Favored 'General case' 0 C--N 1.325 -0.46 0 N-CA-C 107.757 -1.201 . . . . 0.0 107.757 179.243 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -159.43 167.22 35.03 Favored Glycine 0 CA--C 1.531 1.055 0 O-C-N 124.666 1.228 . . . . 0.0 110.974 -179.9 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 58' ' ' PRO . . . . . . . . . . . . . 1.1 Cg_endo -68.21 -155.89 0.04 OUTLIER 'Trans proline' 0 C--N 1.36 1.159 0 O-C-N 124.495 1.787 . . . . 0.0 110.753 179.433 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 59' ' ' ILE . . . . . . . . . . . . . 0.5 OUTLIER 73.81 111.6 0.03 OUTLIER Pre-proline 0 C--N 1.325 -0.496 0 O-C-N 124.537 1.148 . . . . 0.0 109.267 179.92 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 60' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -76.83 122.98 6.58 Favored 'Trans proline' 0 C--N 1.36 1.178 0 O-C-N 124.425 1.75 . . . . 0.0 111.116 179.816 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 61' ' ' MET . . . . . . . . . . . . . 3.9 ttp -67.1 141.44 96.42 Favored Pre-proline 0 C--N 1.325 -0.478 0 O-C-N 124.484 1.115 . . . . 0.0 110.821 -179.97 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 62' ' ' PRO . . . . . 0.474 ' CG ' HBC1 ' A' ' 83' ' ' HEM . 21.5 Cg_exo -47.33 107.32 0.12 Allowed 'Trans proline' 0 C--N 1.362 1.253 0 O-C-N 124.492 1.785 . . . . 0.0 111.58 -179.223 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 63' ' ' PRO . . . . . . . . . . . . . 14.8 Cg_endo -69.02 99.07 0.65 Allowed 'Trans proline' 0 C--N 1.361 1.187 0 O-C-N 124.408 1.741 . . . . 0.0 110.446 179.35 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER -65.26 -167.4 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.458 1.099 . . . . 0.0 109.677 -179.512 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -155.08 94.28 1.62 Allowed 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.426 1.079 . . . . 0.0 109.164 -179.992 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 0.6 OUTLIER -121.8 -143.22 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.323 -0.556 0 O-C-N 124.461 1.101 . . . . 0.0 109.147 -179.951 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 5.1 m -163.93 41.2 0.09 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.4 1.063 . . . . 0.0 110.189 -179.881 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 9.6 t70 70.17 148.38 0.07 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.468 1.105 . . . . 0.0 109.547 179.847 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 69' ' ' ASP . . . . . 0.426 ' O ' ' CB ' ' A' ' 70' ' ' GLU . 8.0 t0 69.77 88.05 0.11 Allowed 'General case' 0 CA--C 1.54 0.568 0 N-CA-C 107.817 -1.179 . . . . 0.0 107.817 -178.964 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 70' ' ' GLU . . . . . 0.426 ' CB ' ' O ' ' A' ' 69' ' ' ASP . 11.3 mm-40 140.37 -37.71 0.01 OUTLIER 'General case' 0 CA--C 1.559 1.317 0 N-CA-C 105.78 -1.933 . . . . 0.0 105.78 -177.811 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -97.47 -25.02 15.33 Favored 'General case' 0 CA--C 1.538 0.513 0 CA-C-N 112.609 -2.087 . . . . 0.0 107.137 175.966 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 11.2 tt0 -67.96 -36.95 80.94 Favored 'General case' 0 C--N 1.327 -0.382 0 O-C-N 125.029 1.456 . . . . 0.0 109.904 179.322 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -71.61 -45.1 63.11 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.45 1.094 . . . . 0.0 110.114 179.813 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -59.24 -41.37 88.58 Favored 'General case' 0 C--N 1.326 -0.421 0 O-C-N 124.554 1.159 . . . . 0.0 110.355 -179.547 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -66.86 -31.71 72.5 Favored 'General case' 0 N--CA 1.45 -0.449 0 O-C-N 124.304 1.003 . . . . 0.0 111.22 -179.047 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -76.6 -21.24 55.83 Favored 'General case' 0 C--N 1.323 -0.548 0 CA-C-N 115.055 -0.975 . . . . 0.0 109.381 -179.349 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 77' ' ' TRP . . . . . 0.635 ' CE3' ' CE2' ' A' ' 27' ' ' TYR . 36.3 t90 -79.47 -25.85 41.8 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.461 1.101 . . . . 0.0 108.967 -179.799 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -77.1 -52.33 16.91 Favored 'Isoleucine or valine' 0 CA--C 1.551 0.991 0 N-CA-C 106.394 -1.706 . . . . 0.0 106.394 177.802 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -50.67 -71.44 0.06 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 125.082 1.489 . . . . 0.0 108.887 179.17 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 2.1 p -96.42 133.62 40.61 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.811 1.32 . . . . 0.0 110.121 -179.885 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 81' ' ' GLN . . . . . . . . . . . . . 1.2 pp0? -92.13 -177.71 4.76 Favored 'General case' 0 C--N 1.327 -0.389 0 O-C-N 124.419 1.074 . . . . 0.0 110.21 179.994 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 22.7 tttt . . . . . 0 C--N 1.324 -0.51 0 O-C-N 124.54 1.15 . . . . 0.0 109.21 179.791 . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 83' ' ' HEM . . . . . 0.476 HBC2 ' CMC' ' A' ' 83' ' ' HEM . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 1' ' ' GLU . . . . . . . . . . . . . 16.0 tt0 . . . . . 0 N--CA 1.453 -0.284 0 N-CA-C 110.206 -0.294 . . . . 0.0 110.206 . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 11.2 m-20 -141.61 82.91 13.63 Favored Pre-proline 0 C--N 1.325 -0.473 0 O-C-N 124.447 1.092 . . . . 0.0 109.086 179.849 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 3' ' ' PRO . . . . . . . . . . . . . 20.2 Cg_endo -72.09 -12.89 28.45 Favored 'Trans proline' 0 C--N 1.36 1.172 0 O-C-N 124.562 1.822 . . . . 0.0 111.18 179.692 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 13.8 mt-10 -81.63 -27.38 34.17 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.608 1.192 . . . . 0.0 108.967 179.298 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 75.1 t -85.93 -23.37 7.03 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.537 0 O-C-N 124.925 1.39 . . . . 0.0 108.371 178.185 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -80.43 -40.59 26.05 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.542 1.151 . . . . 0.0 110.226 -179.775 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 7' ' ' PHE . . . . . 0.559 ' CB ' ' CZ3' ' A' ' 77' ' ' TRP . 4.6 t80 -72.36 -21.84 61.24 Favored 'General case' 0 C--N 1.327 -0.386 0 O-C-N 124.533 1.146 . . . . 0.0 111.635 -179.527 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 6.3 tptt -95.7 -7.73 36.56 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.681 1.238 . . . . 0.0 110.464 -179.614 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 11.7 t-20 -45.75 -74.69 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.066 0.854 . . . . 0.0 110.416 179.979 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 174.35 80.37 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.573 1.171 . . . . 0.0 109.635 179.874 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 174.15 -64.95 0.11 Allowed Glycine 0 CA--C 1.527 0.815 0 O-C-N 124.658 1.224 . . . . 0.0 113.052 179.731 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 12' ' ' CYS . . . . . 0.555 ' CB ' ' CD1' ' A' ' 7' ' ' PHE . 59.9 m -59.61 -60.41 3.88 Favored 'General case' 0 N--CA 1.449 -0.483 0 O-C-N 124.061 0.506 . . . . 0.0 110.813 -178.498 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 0.3 OUTLIER -63.97 -4.39 1.49 Allowed 'Isoleucine or valine' 0 CA--C 1.537 0.45 0 N-CA-C 113.793 1.034 . . . . 0.0 113.793 -177.178 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -53.58 -24.79 14.76 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 125.898 1.999 . . . . 0.0 108.54 179.447 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 1.6 p -165.35 21.55 0.05 OUTLIER 'General case' 0 C--O 1.238 0.493 0 O-C-N 125.089 1.493 . . . . 0.0 113.21 -179.328 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 2.0 m-70 -97.44 -74.34 0.58 Allowed 'General case' 0 C--N 1.326 -0.419 0 N-CA-C 115.544 1.683 . . . . 0.0 115.544 -178.028 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . 72.0 158.11 0.19 Allowed 'General case' 0 CA--C 1.541 0.6 0 N-CA-C 107.156 -1.424 . . . . 0.0 107.156 -175.601 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 1.1 pp -101.9 -53.25 7.69 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 O-C-N 124.273 0.983 . . . . 0.0 113.378 -177.963 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -93.54 11.75 27.59 Favored 'General case' 0 N--CA 1.452 -0.348 0 CA-C-N 115.412 -0.813 . . . . 0.0 111.49 -178.548 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -136.32 161.9 34.5 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.427 1.079 . . . . 0.0 110.052 179.028 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -130.1 128.67 42.34 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.75 1.281 . . . . 0.0 109.585 -179.539 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 22' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -130.21 -88.94 0.49 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.338 1.024 . . . . 0.0 110.122 179.545 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 1.5 t -96.52 -39.3 9.11 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 N-CA-C 107.713 -1.217 . . . . 0.0 107.713 178.251 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -105.09 168.13 15.5 Favored Glycine 0 CA--C 1.532 1.152 0 O-C-N 124.897 1.373 . . . . 0.0 111.065 179.919 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 25' ' ' PRO . . . . . 0.699 ' CD ' ' CHA' ' A' ' 83' ' ' HEM . 41.6 Cg_endo -67.84 156.07 67.39 Favored 'Trans proline' 0 N--CA 1.448 -1.159 0 C-N-CA 122.151 1.901 . . . . 0.0 112.081 -179.246 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -82.15 127.86 33.57 Favored 'General case' 0 C--N 1.324 -0.51 0 N-CA-C 106.59 -1.633 . . . . 0.0 106.59 176.867 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 27' ' ' TYR . . . . . 0.613 ' CE2' ' CZ3' ' A' ' 77' ' ' TRP . 8.6 m-85 -56.38 -32.16 64.5 Favored 'General case' 0 C--N 1.323 -0.565 0 O-C-N 124.911 1.382 . . . . 0.0 111.059 -178.373 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -69.34 -39.67 78.0 Favored 'General case' 0 CA--C 1.535 0.386 0 O-C-N 124.576 1.172 . . . . 0.0 109.521 179.773 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 5.6 m-20 -64.23 -34.42 78.06 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.638 1.211 . . . . 0.0 109.214 179.74 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 53.2 t -70.0 -35.09 62.63 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.363 0 CA-C-N 114.287 -1.324 . . . . 0.0 107.658 178.866 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -94.04 20.9 7.31 Favored 'General case' 0 CA--C 1.537 0.443 0 O-C-N 124.545 1.153 . . . . 0.0 108.893 177.767 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -120.44 -1.11 10.21 Favored 'General case' 0 CA--C 1.548 0.894 0 CA-C-N 114.59 -1.186 . . . . 0.0 108.665 176.863 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -122.45 -61.34 1.47 Allowed 'General case' 0 C--N 1.323 -0.55 0 O-C-N 124.824 1.327 . . . . 0.0 109.444 178.848 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 34' ' ' PHE . . . . . 0.516 ' N ' ' CD1' ' A' ' 34' ' ' PHE . 0.0 OUTLIER -105.37 30.41 5.68 Favored 'General case' 0 N--CA 1.444 -0.767 0 N-CA-C 114.424 1.268 . . . . 0.0 114.424 -179.72 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -73.05 -10.05 59.39 Favored 'General case' 0 CA--C 1.569 1.679 0 O-C-N 125.262 1.601 . . . . 0.0 107.525 173.401 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . -94.06 -39.81 4.75 Favored Glycine 0 CA--C 1.551 2.308 0 N-CA-C 105.511 -3.036 . . . . 0.0 105.511 171.561 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 37' ' ' GLN . . . . . 0.425 ' CG ' ' O ' ' A' ' 34' ' ' PHE . 2.3 mt-30 81.19 -164.67 0.02 OUTLIER 'General case' 0 N--CA 1.444 -0.729 0 N-CA-C 117.04 2.237 . . . . 0.0 117.04 173.761 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . 78.56 104.13 0.07 Allowed 'General case' 0 CA--C 1.541 0.603 0 N-CA-C 107.04 -1.467 . . . . 0.0 107.04 -177.095 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 162.92 -27.49 0.24 Allowed Glycine 0 CA--C 1.534 1.226 0 O-C-N 124.61 1.194 . . . . 0.0 110.132 -178.897 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -173.3 -91.71 0.01 OUTLIER 'General case' 0 N--CA 1.452 -0.373 0 O-C-N 125.297 1.234 . . . . 0.0 113.401 179.424 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 1.3 tt0 50.92 25.1 2.05 Favored 'General case' 0 CA--C 1.541 0.609 0 CA-C-O 121.708 0.766 . . . . 0.0 109.349 -177.321 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -141.79 -53.82 0.44 Allowed 'General case' 0 CA--C 1.544 0.74 0 N-CA-C 105.278 -2.119 . . . . 0.0 105.278 177.576 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 1.7 pt-20 -85.33 3.93 37.47 Favored 'General case' 0 CA--C 1.54 0.575 0 O-C-N 125.764 1.915 . . . . 0.0 109.596 174.984 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -88.4 -38.28 15.2 Favored 'General case' 0 CA--C 1.543 0.685 0 N-CA-C 106.018 -1.845 . . . . 0.0 106.018 176.236 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -71.29 -26.29 62.8 Favored 'General case' 0 C--N 1.327 -0.412 0 O-C-N 125.377 1.673 . . . . 0.0 108.247 177.605 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 46' ' ' GLN . . . . . . . . . . . . . 1.4 mt-30 -79.99 -18.19 50.93 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 114.502 -1.226 . . . . 0.0 110.485 -179.936 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -76.03 -32.98 59.62 Favored 'General case' 0 CA--C 1.542 0.654 0 O-C-N 125.077 1.486 . . . . 0.0 107.683 177.27 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 2.0 mt -63.21 -29.1 46.39 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.441 0 O-C-N 125.162 1.538 . . . . 0.0 109.115 178.82 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 2.9 ttpm? -114.92 6.44 15.37 Favored 'General case' 0 N--CA 1.45 -0.458 0 O-C-N 124.442 1.089 . . . . 0.0 113.434 -177.745 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 2.0 t-20 -148.41 13.48 0.96 Allowed 'General case' 0 N--CA 1.452 -0.345 0 O-C-N 123.957 0.786 . . . . 0.0 112.404 -179.231 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 70.34 146.32 0.32 Allowed Glycine 0 CA--C 1.531 1.043 0 O-C-N 124.227 0.955 . . . . 0.0 111.064 179.767 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -72.51 -19.44 61.53 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.475 0.75 . . . . 0.0 111.295 -179.609 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER 79.47 -8.13 1.63 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.373 1.045 . . . . 0.0 112.198 179.943 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 117.75 96.7 1.86 Allowed Glycine 0 CA--C 1.529 0.962 0 O-C-N 124.14 0.9 . . . . 0.0 111.474 179.75 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 11.7 t -122.61 -50.47 2.73 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.395 0.703 . . . . 0.0 109.162 179.683 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 56' ' ' TRP . . . . . . . . . . . . . 1.4 m95 -102.04 -54.59 2.67 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.571 1.17 . . . . 0.0 107.979 179.81 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -122.48 167.33 14.92 Favored Glycine 0 CA--C 1.53 1.028 0 O-C-N 124.565 1.166 . . . . 0.0 110.894 -179.826 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 58' ' ' PRO . . . . . . . . . . . . . 37.1 Cg_endo -85.28 24.04 0.79 Allowed 'Trans proline' 0 C--N 1.358 1.042 0 O-C-N 124.375 1.723 . . . . 0.0 112.454 179.832 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 59' ' ' ILE . . . . . . . . . . . . . 1.3 tt -110.58 87.55 6.67 Favored Pre-proline 0 C--N 1.326 -0.436 0 O-C-N 124.227 0.955 . . . . 0.0 109.202 179.925 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 60' ' ' PRO . . . . . . . . . . . . . 2.7 Cg_endo -49.28 136.68 31.32 Favored 'Trans proline' 0 C--N 1.36 1.172 0 O-C-N 124.526 1.803 . . . . 0.0 110.848 -179.47 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 61' ' ' MET . . . . . . . . . . . . . 5.8 ttp -74.34 125.73 89.62 Favored Pre-proline 0 C--N 1.325 -0.489 0 O-C-N 124.6 1.187 . . . . 0.0 110.64 179.862 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 62' ' ' PRO . . . . . . . . . . . . . 24.0 Cg_exo -47.7 121.23 5.43 Favored 'Trans proline' 0 C--N 1.36 1.178 0 O-C-N 124.514 1.797 . . . . 0.0 110.967 -179.214 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 63' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -70.52 159.03 54.21 Favored 'Trans proline' 0 C--N 1.36 1.176 0 O-C-N 124.239 1.652 . . . . 0.0 110.855 179.625 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER 70.64 110.76 0.06 Allowed 'General case' 0 C--N 1.324 -0.534 0 O-C-N 124.725 1.266 . . . . 0.0 109.418 -179.904 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -146.69 -47.67 0.19 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.449 1.093 . . . . 0.0 109.095 179.849 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 0.1 OUTLIER -149.26 154.0 10.1 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.425 0 O-C-N 124.468 1.105 . . . . 0.0 109.165 179.892 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 22.7 m -71.19 174.27 6.6 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.59 1.181 . . . . 0.0 109.907 -179.964 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 68' ' ' ASP . . . . . 0.421 ' O ' ' CB ' ' A' ' 69' ' ' ASP . 7.0 t70 -61.11 138.29 58.21 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.57 1.169 . . . . 0.0 109.064 179.913 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 69' ' ' ASP . . . . . 0.421 ' CB ' ' O ' ' A' ' 68' ' ' ASP . 9.3 t0 89.38 -39.41 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.602 1.189 . . . . 0.0 108.959 -178.944 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 35.0 mm-40 -74.78 -25.49 59.1 Favored 'General case' 0 C--N 1.323 -0.548 0 O-C-N 124.822 1.326 . . . . 0.0 108.687 177.76 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -89.71 -44.33 10.09 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-N 114.372 -1.286 . . . . 0.0 108.07 178.448 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 5.8 tt0 -51.84 -33.7 37.28 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.786 1.303 . . . . 0.0 110.68 179.657 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -68.89 -50.97 45.05 Favored 'General case' 0 C--N 1.327 -0.407 0 O-C-N 124.424 1.077 . . . . 0.0 109.893 179.695 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 4.2 mm? -70.86 -9.37 57.49 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.726 1.266 . . . . 0.0 110.781 -179.659 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -89.57 -31.21 17.7 Favored 'General case' 0 C--N 1.325 -0.457 0 N-CA-C 108.477 -0.935 . . . . 0.0 108.477 179.062 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 3.6 tttp -72.03 -48.31 45.45 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 125.001 1.438 . . . . 0.0 109.012 -179.786 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 77' ' ' TRP . . . . . 0.613 ' CZ3' ' CE2' ' A' ' 27' ' ' TYR . 72.0 t90 -66.16 -32.01 73.19 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.645 1.215 . . . . 0.0 108.107 -179.801 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 78' ' ' VAL . . . . . 0.418 ' CG1' ' N ' ' A' ' 79' ' ' LEU . 0.6 OUTLIER -58.85 -48.78 85.2 Favored 'Isoleucine or valine' 0 CA--C 1.547 0.848 0 N-CA-C 105.097 -2.186 . . . . 0.0 105.097 176.411 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 79' ' ' LEU . . . . . 0.418 ' N ' ' CG1' ' A' ' 78' ' ' VAL . 0.2 OUTLIER -99.63 34.53 2.21 Favored 'General case' 0 N--CA 1.452 -0.357 0 CA-C-N 112.848 -1.978 . . . . 0.0 113.342 -177.376 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 15.8 t -155.01 20.49 0.44 Allowed 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.306 1.003 . . . . 0.0 110.956 179.485 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 81' ' ' GLN . . . . . . . . . . . . . 1.5 pt20 42.34 -98.68 0.03 OUTLIER 'General case' 0 C--N 1.323 -0.544 0 O-C-N 124.705 1.253 . . . . 0.0 112.005 179.557 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.325 -0.499 0 O-C-N 124.345 1.028 . . . . 0.0 109.152 179.696 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 83' ' ' HEM . . . . . 0.699 ' CHA' ' CD ' ' A' ' 25' ' ' PRO . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 1' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 N--CA 1.453 -0.291 0 N-CA-C 110.167 -0.308 . . . . 0.0 110.167 . . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -172.55 89.59 0.41 Allowed Pre-proline 0 C--N 1.325 -0.461 0 O-C-N 124.377 1.048 . . . . 0.0 109.297 -179.975 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 3' ' ' PRO . . . . . . . . . . . . . 5.3 Cg_endo -73.39 -13.58 25.31 Favored 'Trans proline' 0 C--N 1.359 1.112 0 O-C-N 124.501 1.79 . . . . 0.0 111.601 -179.837 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 51.5 mt-10 -83.04 -28.03 29.89 Favored 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.796 1.31 . . . . 0.0 108.497 178.252 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 55.8 t -78.06 -31.76 16.86 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.398 0 CA-C-N 114.172 -1.376 . . . . 0.0 108.125 178.47 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -74.76 -39.29 61.89 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.859 1.349 . . . . 0.0 107.691 178.398 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 7' ' ' PHE . . . . . 0.547 ' CG ' ' CH2' ' A' ' 77' ' ' TRP . 14.6 t80 -60.52 -17.36 45.07 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 114.242 -1.345 . . . . 0.0 111.975 179.756 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 11.2 tptt -115.98 -13.24 11.27 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.16 0.912 . . . . 0.0 111.092 -178.999 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -62.37 -31.7 72.39 Favored 'General case' 0 N--CA 1.449 -0.5 0 N-CA-C 114.02 1.119 . . . . 0.0 114.02 -178.309 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -111.18 -88.39 0.52 Allowed 'General case' 0 C--N 1.326 -0.449 0 O-C-N 123.869 0.731 . . . . 0.0 112.012 -178.361 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -163.54 20.93 0.16 Allowed Glycine 0 CA--C 1.527 0.837 0 O-C-N 124.594 1.184 . . . . 0.0 113.969 -178.855 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 15.5 m -59.68 -52.92 63.45 Favored 'General case' 0 N--CA 1.448 -0.561 0 N-CA-C 108.285 -1.005 . . . . 0.0 108.285 179.443 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 0.3 OUTLIER -52.32 -11.17 0.25 Allowed 'Isoleucine or valine' 0 CA--C 1.539 0.548 0 N-CA-C 114.695 1.369 . . . . 0.0 114.695 -176.796 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -49.99 -45.48 51.74 Favored 'General case' 0 C--N 1.323 -0.548 0 O-C-N 126.12 2.137 . . . . 0.0 108.387 178.998 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -145.64 12.79 1.33 Allowed 'General case' 0 N--CA 1.45 -0.463 0 O-C-N 124.857 1.348 . . . . 0.0 112.675 -179.281 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 16' ' ' HIS . . . . . 0.446 ' O ' ' CZ ' ' A' ' 7' ' ' PHE . 6.1 m-70 -101.81 64.41 0.97 Allowed 'General case' 0 N--CA 1.451 -0.412 0 N-CA-C 115.849 1.796 . . . . 0.0 115.849 -177.98 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -55.42 167.02 0.53 Allowed 'General case' 0 CA--C 1.54 0.581 0 N-CA-C 107.785 -1.191 . . . . 0.0 107.785 177.034 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 18' ' ' ILE . . . . . . . . . . . . 0.287 0.1 OUTLIER -129.3 55.94 0.34 Allowed 'Isoleucine or valine' 0 CA--C 1.55 0.969 0 N-CA-C 105.471 -2.048 . . . . 0.0 105.471 177.221 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER 165.43 -23.79 0.0 OUTLIER 'General case' 0 N--CA 1.453 -0.323 0 CA-C-N 112.41 -2.177 . . . . 0.0 110.707 179.248 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -126.16 174.04 8.79 Favored 'General case' 0 C--N 1.323 -0.57 0 O-C-N 124.221 0.951 . . . . 0.0 110.207 179.744 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 1.6 pttp -128.97 138.28 51.87 Favored 'General case' 0 C--N 1.327 -0.403 0 O-C-N 124.377 1.048 . . . . 0.0 111.098 -179.431 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 22' ' ' MET . . . . . . . . . . . . . 2.2 tpp -134.67 -69.54 0.52 Allowed 'General case' 0 C--N 1.325 -0.474 0 CA-C-N 114.759 -1.109 . . . . 0.0 109.365 178.829 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 2.7 t -122.26 -49.0 2.65 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.519 0 N-CA-C 107.353 -1.351 . . . . 0.0 107.353 177.826 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -91.18 161.92 28.1 Favored Glycine 0 CA--C 1.534 1.26 0 O-C-N 124.845 1.34 . . . . 0.0 110.202 178.846 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 25' ' ' PRO . . . . . 0.648 ' CD ' ' CHA' ' A' ' 83' ' ' HEM . 46.8 Cg_endo -67.66 134.11 31.76 Favored 'Trans proline' 0 C--N 1.359 1.103 0 O-C-N 124.417 1.746 . . . . 0.0 114.097 -178.885 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -57.73 123.3 15.22 Favored 'General case' 0 C--N 1.324 -0.507 0 N-CA-C 105.732 -1.951 . . . . 0.0 105.732 175.735 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 27' ' ' TYR . . . . . 0.723 ' CE2' ' CE3' ' A' ' 77' ' ' TRP . 5.2 m-85 -57.37 -16.53 9.29 Favored 'General case' 0 C--N 1.323 -0.576 0 O-C-N 124.873 1.358 . . . . 0.0 111.566 -178.019 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -82.08 -39.7 23.04 Favored 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.624 1.202 . . . . 0.0 111.588 -179.059 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 5.1 p30 -72.62 -25.9 61.48 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.797 1.31 . . . . 0.0 109.209 -179.869 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 1.5 t -73.3 -36.31 48.93 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 N-CA-C 107.255 -1.387 . . . . 0.0 107.255 178.072 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -88.84 15.84 7.78 Favored 'General case' 0 C--N 1.328 -0.346 0 O-C-N 124.997 1.436 . . . . 0.0 109.983 179.371 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -144.96 18.08 1.6 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.175 0.922 . . . . 0.0 111.252 179.765 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -167.12 44.62 0.05 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.332 1.02 . . . . 0.0 108.561 179.314 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 10.0 t80 170.25 -31.23 0.0 OUTLIER 'General case' 0 CA--C 1.54 0.593 0 O-C-N 124.575 1.172 . . . . 0.0 110.18 179.82 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -48.67 138.03 11.31 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 125.525 1.766 . . . . 0.0 108.396 178.753 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 103.05 -7.43 52.47 Favored Glycine 0 CA--C 1.531 1.073 0 O-C-N 124.571 1.169 . . . . 0.0 111.101 -177.921 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -92.05 60.53 3.82 Favored 'General case' 0 C--N 1.326 -0.417 0 N-CA-C 109.274 -0.639 . . . . 0.0 109.274 179.127 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -55.68 169.38 0.34 Allowed 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 114.695 -1.139 . . . . 0.0 110.84 -178.954 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 67.49 26.07 73.7 Favored Glycine 0 CA--C 1.529 0.925 0 CA-C-N 114.86 -1.063 . . . . 0.0 112.475 179.429 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -124.42 -11.65 7.36 Favored 'General case' 0 N--CA 1.45 -0.459 0 O-C-N 124.26 0.624 . . . . 0.0 111.882 -179.492 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 23.8 pt-20 -63.95 -9.88 18.13 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.068 0.855 . . . . 0.0 112.358 -179.277 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -77.86 -54.15 6.66 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.51 1.131 . . . . 0.0 108.697 179.766 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -80.74 2.4 26.27 Favored 'General case' 0 CA--C 1.537 0.475 0 O-C-N 124.774 1.297 . . . . 0.0 110.798 178.501 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 13.9 tp -90.16 -37.56 14.1 Favored 'General case' 0 C--N 1.324 -0.51 0 N-CA-C 106.989 -1.485 . . . . 0.0 106.989 176.831 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -67.6 -22.37 65.37 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.988 1.43 . . . . 0.0 109.175 178.708 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 46' ' ' GLN . . . . . . . . . . . . . 74.9 mt-30 -83.92 -24.35 30.79 Favored 'General case' 0 CA--C 1.537 0.463 0 O-C-N 124.744 1.278 . . . . 0.0 109.893 -179.477 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -79.73 -39.72 30.47 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.989 1.43 . . . . 0.0 109.651 178.702 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 0.3 OUTLIER -83.29 -0.24 5.05 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 125.003 1.439 . . . . 0.0 110.104 179.107 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -124.41 -5.18 7.73 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.051 0.845 . . . . 0.0 111.451 179.908 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 3.8 t-20 -144.64 4.04 1.14 Allowed 'General case' 0 N--CA 1.449 -0.504 0 O-C-N 124.5 1.125 . . . . 0.0 113.015 -179.677 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 83.01 162.54 32.59 Favored Glycine 0 CA--C 1.53 0.973 0 O-C-N 123.973 0.796 . . . . 0.0 111.969 179.32 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 6.4 p -109.91 -159.99 0.7 Allowed 'General case' 0 C--N 1.327 -0.409 0 O-C-N 124.446 0.733 . . . . 0.0 109.741 179.747 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -121.35 -12.13 8.66 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.595 1.184 . . . . 0.0 111.697 -179.772 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 114.15 97.09 2.2 Favored Glycine 0 CA--C 1.531 1.059 0 O-C-N 124.309 1.006 . . . . 0.0 110.741 -179.727 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 24.6 t -113.65 -39.23 3.0 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.551 0.795 . . . . 0.0 109.595 -179.775 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 56' ' ' TRP . . . . . . . . . . . . . 6.6 m95 -111.35 28.93 8.27 Favored 'General case' 0 C--N 1.326 -0.42 0 N-CA-C 108.155 -1.054 . . . . 0.0 108.155 179.756 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 147.26 166.15 12.26 Favored Glycine 0 CA--C 1.529 0.968 0 O-C-N 124.54 1.15 . . . . 0.0 110.964 179.863 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 58' ' ' PRO . . . . . . . . . . . . . 2.3 Cg_endo -69.29 -42.97 3.37 Favored 'Trans proline' 0 C--N 1.359 1.111 0 O-C-N 124.665 1.876 . . . . 0.0 110.745 179.442 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 59' ' ' ILE . . . . . . . . . . . . . 6.1 tt -55.68 110.49 2.3 Favored Pre-proline 0 C--N 1.325 -0.465 0 O-C-N 124.592 1.183 . . . . 0.0 109.298 179.884 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 60' ' ' PRO . . . . . . . . . . . . . 19.4 Cg_endo -78.84 168.38 20.98 Favored 'Trans proline' 0 C--N 1.359 1.088 0 O-C-N 124.458 1.768 . . . . 0.0 110.934 -179.596 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 61' ' ' MET . . . . . . . . . . . . . 6.8 ttp -86.99 125.24 67.11 Favored Pre-proline 0 C--N 1.326 -0.435 0 O-C-N 124.45 1.094 . . . . 0.0 111.01 179.894 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 62' ' ' PRO . . . . . . . . . . . . . 22.4 Cg_exo -49.54 113.61 1.02 Allowed 'Trans proline' 0 C--N 1.36 1.151 0 O-C-N 124.585 1.834 . . . . 0.0 110.709 179.517 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 63' ' ' PRO . . . . . . . . . . . . . 12.0 Cg_endo -65.28 109.29 1.33 Allowed 'Trans proline' 0 C--N 1.361 1.213 0 O-C-N 124.243 1.654 . . . . 0.0 111.131 -179.611 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 1.1 t-20 -114.55 127.82 56.0 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.573 1.17 . . . . 0.0 108.981 179.66 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -81.2 134.41 35.61 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.616 1.197 . . . . 0.0 110.199 -179.522 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 0.1 OUTLIER -142.68 -152.54 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.439 0 O-C-N 124.389 1.056 . . . . 0.0 108.883 179.469 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 1.4 t -115.99 155.34 28.22 Favored 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.708 1.255 . . . . 0.0 109.717 179.74 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 1.6 m-20 -82.32 83.03 7.58 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.54 1.15 . . . . 0.0 109.204 179.996 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER 166.85 -43.84 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 114.703 -1.135 . . . . 0.0 108.557 179.625 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 10.1 mt-10 -76.81 -26.9 54.91 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.955 1.41 . . . . 0.0 108.484 178.193 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -92.04 -28.61 17.06 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 114.184 -1.371 . . . . 0.0 108.905 179.198 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -66.05 -35.81 81.55 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.589 1.181 . . . . 0.0 110.659 -179.991 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -71.42 -43.75 66.16 Favored 'General case' 0 C--N 1.327 -0.406 0 O-C-N 124.377 1.048 . . . . 0.0 111.371 -179.627 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 9.9 mt -71.64 -27.45 63.09 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.409 1.068 . . . . 0.0 110.637 -179.231 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -67.65 -23.84 65.38 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.373 1.046 . . . . 0.0 110.353 -179.401 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -92.98 -18.01 23.23 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.397 1.06 . . . . 0.0 110.03 -179.97 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 77' ' ' TRP . . . . . 0.723 ' CE3' ' CE2' ' A' ' 27' ' ' TYR . 35.5 t90 -74.18 -19.12 60.66 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.391 1.057 . . . . 0.0 109.651 -179.66 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -84.16 -51.15 14.38 Favored 'Isoleucine or valine' 0 CA--C 1.552 1.024 0 N-CA-C 106.513 -1.662 . . . . 0.0 106.513 177.89 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -40.43 -56.37 2.04 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 125.431 1.707 . . . . 0.0 111.094 -179.669 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 80' ' ' SER . . . . . 0.408 ' C ' ' CG ' ' A' ' 81' ' ' GLN . 57.6 p -174.34 50.03 0.01 OUTLIER 'General case' 0 C--N 1.327 -0.41 0 O-C-N 124.55 1.156 . . . . 0.0 110.353 -179.748 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 81' ' ' GLN . . . . . 0.408 ' CG ' ' C ' ' A' ' 80' ' ' SER . 0.1 OUTLIER 46.01 -100.1 0.05 OUTLIER 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.642 1.214 . . . . 0.0 111.247 179.862 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--N 1.325 -0.463 0 O-C-N 124.265 0.978 . . . . 0.0 109.179 179.71 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 83' ' ' HEM . . . . . 0.648 ' CHA' ' CD ' ' A' ' 25' ' ' PRO . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 1' ' ' GLU . . . . . . . . . . . . . 4.4 mt-10 . . . . . 0 N--CA 1.453 -0.28 0 N-CA-C 110.292 -0.262 . . . . 0.0 110.292 . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -54.81 166.41 0.77 Allowed Pre-proline 0 C--N 1.325 -0.475 0 O-C-N 124.488 1.117 . . . . 0.0 109.152 179.958 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 3' ' ' PRO . . . . . . . . . . . . . 9.9 Cg_endo -76.26 -10.23 19.16 Favored 'Trans proline' 0 C--N 1.36 1.154 0 O-C-N 124.486 1.782 . . . . 0.0 112.286 -179.454 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 19.4 tt0 -76.77 -28.88 55.85 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.565 1.165 . . . . 0.0 109.495 179.9 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 30.3 t -88.03 -33.28 6.46 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 N-CA-C 107.25 -1.389 . . . . 0.0 107.25 177.937 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -66.61 -31.85 72.81 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 113.889 -1.505 . . . . 0.0 108.624 178.888 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 7' ' ' PHE . . . . . 0.565 ' CD2' ' CB ' ' A' ' 12' ' ' CYS . 0.4 OUTLIER -72.43 -33.57 67.18 Favored 'General case' 0 CA--C 1.538 0.489 0 O-C-N 124.955 1.409 . . . . 0.0 110.379 179.566 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 13.6 tttt -77.39 -1.9 32.45 Favored 'General case' 0 C--N 1.326 -0.415 0 O-C-N 124.898 1.374 . . . . 0.0 110.943 -179.527 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 9.5 t-20 -47.79 -69.47 0.12 Allowed 'General case' 0 C--N 1.323 -0.556 0 O-C-N 124.402 1.064 . . . . 0.0 109.954 -179.863 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 179.77 -35.92 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.546 1.154 . . . . 0.0 110.389 179.89 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -61.97 -67.12 2.24 Favored Glycine 0 CA--C 1.53 0.975 0 O-C-N 124.319 1.012 . . . . 0.0 113.636 -178.558 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 12' ' ' CYS . . . . . 0.565 ' CB ' ' CD2' ' A' ' 7' ' ' PHE . 60.6 m -58.89 -58.5 8.37 Favored 'General case' 0 N--CA 1.449 -0.504 0 O-C-N 124.162 0.566 . . . . 0.0 111.258 -178.279 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 0.4 OUTLIER -63.39 -4.21 1.26 Allowed 'Isoleucine or valine' 0 CA--C 1.536 0.437 0 N-CA-C 114.126 1.158 . . . . 0.0 114.126 -176.605 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -53.21 -31.26 42.23 Favored 'General case' 0 C--N 1.324 -0.537 0 O-C-N 125.817 1.948 . . . . 0.0 107.81 178.748 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -155.57 14.94 0.37 Allowed 'General case' 0 N--CA 1.449 -0.485 0 O-C-N 124.97 1.419 . . . . 0.0 112.494 -179.589 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 8.6 m-70 -105.14 -173.66 2.35 Favored 'General case' 0 N--CA 1.45 -0.459 0 O-C-N 123.82 0.7 . . . . 0.0 110.955 179.818 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . 179.47 157.63 0.61 Allowed 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 114.318 -1.31 . . . . 0.0 108.982 179.344 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 0.5 OUTLIER -93.43 -28.71 4.36 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.374 0 O-C-N 124.499 1.124 . . . . 0.0 111.783 -179.117 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 17.4 p30 -134.81 27.1 3.63 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.548 1.155 . . . . 0.0 109.822 -179.779 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -148.02 158.66 44.18 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.532 1.145 . . . . 0.0 109.693 179.404 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -127.66 131.75 49.78 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.511 1.132 . . . . 0.0 109.949 -179.408 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 22' ' ' MET . . . . . . . . . . . . . 3.7 mtt -130.12 -91.47 0.45 Allowed 'General case' 0 C--N 1.324 -0.509 0 CA-C-N 114.979 -1.009 . . . . 0.0 110.043 179.422 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 2.1 t -98.43 -38.15 7.04 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.522 0 N-CA-C 107.637 -1.245 . . . . 0.0 107.637 178.307 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -106.7 174.32 20.05 Favored Glycine 0 CA--C 1.532 1.143 0 CA-C-N 114.22 -1.354 . . . . 0.0 110.927 179.865 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 25' ' ' PRO . . . . . 0.712 ' CD ' ' CHA' ' A' ' 83' ' ' HEM . 60.8 Cg_endo -72.08 159.77 49.16 Favored 'Trans proline' 0 C--N 1.359 1.116 0 C-N-CA 121.972 1.781 . . . . 0.0 113.333 -179.102 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -89.39 142.18 27.89 Favored 'General case' 0 CA--C 1.54 0.579 0 N-CA-C 106.281 -1.748 . . . . 0.0 106.281 176.433 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 27' ' ' TYR . . . . . 0.618 ' CE2' ' CE3' ' A' ' 77' ' ' TRP . 11.0 m-85 -68.32 -26.68 65.74 Favored 'General case' 0 C--N 1.322 -0.614 0 O-C-N 125.151 1.532 . . . . 0.0 110.841 -178.46 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 3.5 tptm -75.31 -26.56 58.76 Favored 'General case' 0 C--N 1.328 -0.343 0 O-C-N 124.945 1.403 . . . . 0.0 108.614 179.408 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 2.5 m-20 -85.27 -25.55 27.17 Favored 'General case' 0 C--N 1.323 -0.551 0 O-C-N 124.767 1.292 . . . . 0.0 107.691 177.556 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 8.3 t -70.37 -31.98 48.73 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.383 0 CA-C-N 114.268 -1.333 . . . . 0.0 107.552 178.012 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -79.34 -24.2 42.91 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 125.275 1.609 . . . . 0.0 109.202 179.384 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -88.14 5.39 41.56 Favored 'General case' 0 CA--C 1.536 0.44 0 O-C-N 124.955 1.41 . . . . 0.0 109.526 178.87 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 2.0 tppp? -120.87 -21.14 6.68 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.744 1.277 . . . . 0.0 110.849 179.369 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -88.76 -68.26 0.78 Allowed 'General case' 0 C--N 1.323 -0.582 0 O-C-N 124.188 0.93 . . . . 0.0 109.041 179.314 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . 42.23 52.25 4.52 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.38 1.05 . . . . 0.0 111.292 177.913 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 136.88 -47.64 0.95 Allowed Glycine 0 CA--C 1.536 1.359 0 N-CA-C 109.123 -1.591 . . . . 0.0 109.123 -178.741 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER 64.87 -131.08 0.3 Allowed 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 114.142 -1.029 . . . . 0.0 110.561 177.823 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . 76.57 39.56 0.25 Allowed 'General case' 0 CA--C 1.54 0.582 0 N-CA-C 107.361 -1.348 . . . . 0.0 107.361 -177.795 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . -112.7 31.47 6.81 Favored Glycine 0 CA--C 1.531 1.084 0 CA-C-N 114.095 -1.412 . . . . 0.0 110.757 -179.813 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . 69.67 83.56 0.15 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.665 0.862 . . . . 0.0 111.893 179.395 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 1.4 pt-20 -61.19 -13.95 21.78 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.851 1.345 . . . . 0.0 110.145 177.755 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -75.43 -50.76 14.85 Favored 'General case' 0 C--N 1.323 -0.552 0 O-C-N 124.725 1.266 . . . . 0.0 107.764 178.968 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 8.1 mt-10 -82.76 0.75 42.2 Favored 'General case' 0 CA--C 1.54 0.58 0 O-C-N 125.203 1.564 . . . . 0.0 110.412 177.593 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -84.71 -37.7 20.62 Favored 'General case' 0 CA--C 1.54 0.57 0 N-CA-C 106.0 -1.852 . . . . 0.0 106.0 176.297 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -72.08 -21.25 61.53 Favored 'General case' 0 N--CA 1.451 -0.409 0 CA-C-N 113.776 -1.557 . . . . 0.0 108.986 177.746 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 46' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER -82.58 -19.23 38.88 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.624 1.202 . . . . 0.0 110.9 -178.698 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 5.6 mtm180 -84.95 -37.72 20.17 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 125.096 1.497 . . . . 0.0 108.619 178.12 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 0.6 OUTLIER -77.47 -6.11 8.61 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 O-C-N 125.189 1.556 . . . . 0.0 111.239 179.672 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -126.99 -4.87 6.26 Favored 'General case' 0 N--CA 1.451 -0.411 0 O-C-N 123.993 0.808 . . . . 0.0 112.118 -179.797 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 1.8 t-20 -137.16 3.78 2.65 Favored 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.647 1.217 . . . . 0.0 111.584 179.347 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 76.77 152.89 4.89 Favored Glycine 0 CA--C 1.53 0.969 0 O-C-N 124.106 0.879 . . . . 0.0 112.585 178.983 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 4.4 m -103.19 -151.63 0.43 Allowed 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 114.716 -0.742 . . . . 0.0 109.502 179.377 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 1.8 tm0? -175.47 100.35 0.08 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.452 1.095 . . . . 0.0 110.33 179.888 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 78.43 84.27 0.56 Allowed Glycine 0 CA--C 1.531 1.035 0 O-C-N 124.51 1.131 . . . . 0.0 110.926 -179.982 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 11.7 t -133.5 -65.32 0.5 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.59 0.818 . . . . 0.0 109.254 -179.983 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 56' ' ' TRP . . . . . . . . . . . . . 3.0 m95 -115.47 32.97 5.72 Favored 'General case' 0 C--N 1.326 -0.425 0 N-CA-C 107.746 -1.205 . . . . 0.0 107.746 179.282 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 107.47 -153.31 16.85 Favored Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.687 1.242 . . . . 0.0 111.234 179.751 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 58' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.75 -172.02 1.21 Allowed 'Trans proline' 0 C--N 1.36 1.181 0 O-C-N 124.467 1.772 . . . . 0.0 111.023 -179.536 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 59' ' ' ILE . . . . . . . . . . . . . 3.1 mp 54.74 79.49 0.34 Allowed Pre-proline 0 C--N 1.324 -0.519 0 O-C-N 124.485 1.116 . . . . 0.0 109.056 -179.944 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 60' ' ' PRO . . . . . . . . . . . . . 23.5 Cg_endo -78.08 173.89 13.29 Favored 'Trans proline' 0 C--N 1.36 1.169 0 O-C-N 124.446 1.761 . . . . 0.0 111.25 -179.529 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 61' ' ' MET . . . . . . . . . . . . . 6.8 ttp -76.29 132.13 73.76 Favored Pre-proline 0 C--N 1.325 -0.461 0 O-C-N 124.428 1.08 . . . . 0.0 110.873 179.92 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 62' ' ' PRO . . . . . . . . . . . . . 6.9 Cg_endo -57.17 135.4 70.28 Favored 'Trans proline' 0 C--N 1.361 1.225 0 O-C-N 124.566 1.824 . . . . 0.0 110.673 179.541 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 63' ' ' PRO . . . . . . . . . . . . . 22.4 Cg_endo -73.95 100.05 1.24 Allowed 'Trans proline' 0 C--N 1.36 1.148 0 O-C-N 124.455 1.766 . . . . 0.0 110.864 -179.748 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -65.97 -169.21 0.06 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.507 1.129 . . . . 0.0 109.291 179.972 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -155.21 104.06 2.41 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.601 1.188 . . . . 0.0 109.49 179.96 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 68.9 t -141.79 -96.58 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.492 1.12 . . . . 0.0 109.213 179.92 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -172.29 -91.14 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.455 1.097 . . . . 0.0 109.922 179.974 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 15.4 t0 -178.79 55.79 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.566 1.166 . . . . 0.0 109.578 179.921 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 24.8 t70 -146.27 -64.53 0.3 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.554 1.159 . . . . 0.0 108.982 179.502 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 47.4 tt0 -60.57 -22.39 63.64 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.665 1.228 . . . . 0.0 109.424 178.892 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -88.68 -34.03 17.36 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.598 1.186 . . . . 0.0 109.112 179.51 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 14.5 mt-30 -58.04 -32.4 67.95 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.545 1.153 . . . . 0.0 110.633 -179.851 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 0.4 OUTLIER -80.49 -40.16 26.64 Favored 'General case' 0 C--N 1.326 -0.422 0 O-C-N 124.409 1.068 . . . . 0.0 111.146 -179.607 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 14.4 mt -76.83 -11.63 59.85 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.397 1.061 . . . . 0.0 111.057 -179.39 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -89.9 -22.45 22.01 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.262 0.976 . . . . 0.0 109.89 179.989 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -83.75 -18.63 37.17 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.536 1.147 . . . . 0.0 110.062 -179.543 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 77' ' ' TRP . . . . . 0.618 ' CE3' ' CE2' ' A' ' 27' ' ' TYR . 28.8 t90 -84.82 -35.88 22.01 Favored 'General case' 0 C--N 1.323 -0.566 0 N-CA-C 107.309 -1.367 . . . . 0.0 107.309 179.742 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 1.2 t -69.05 -51.71 41.18 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.553 0 N-CA-C 107.242 -1.392 . . . . 0.0 107.242 177.854 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -59.12 -63.52 1.27 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 113.972 -1.467 . . . . 0.0 109.678 -179.139 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -120.61 93.05 3.91 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.294 0.996 . . . . 0.0 110.272 -179.989 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 81' ' ' GLN . . . . . . . . . . . . . 5.8 tt0 -59.67 -75.71 0.05 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.537 1.148 . . . . 0.0 110.65 179.942 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 9.3 pttt . . . . . 0 C--N 1.325 -0.47 0 O-C-N 124.48 1.112 . . . . 0.0 109.321 -179.883 . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 83' ' ' HEM . . . . . 0.712 ' CHA' ' CD ' ' A' ' 25' ' ' PRO . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 1' ' ' GLU . . . . . . . . . . . . . 39.1 mm-40 . . . . . 0 N--CA 1.453 -0.322 0 N-CA-C 110.777 -0.083 . . . . 0.0 110.777 . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 2' ' ' ASP . . . . . 0.532 ' N ' ' CD ' ' A' ' 3' ' ' PRO . 0.0 OUTLIER 166.74 -46.66 0.0 OUTLIER Pre-proline 0 C--N 1.326 -0.443 0 O-C-N 124.546 1.154 . . . . 0.0 110.724 -179.99 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 3' ' ' PRO . . . . . 0.532 ' CD ' ' N ' ' A' ' 2' ' ' ASP . 1.6 Cg_endo -70.28 -14.07 34.06 Favored 'Trans proline' 0 C--N 1.359 1.09 0 O-C-N 124.186 1.624 . . . . 0.0 111.937 -179.464 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 4.4 mt-10 -78.61 -30.26 46.45 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.721 1.263 . . . . 0.0 108.284 178.563 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 3.8 t -82.1 -26.64 9.24 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.402 0 CA-C-N 113.98 -1.464 . . . . 0.0 108.864 179.11 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 1.7 mt -83.22 -28.73 29.04 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.548 1.155 . . . . 0.0 108.662 179.373 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 7' ' ' PHE . . . . . 0.458 ' CG ' ' CZ3' ' A' ' 77' ' ' TRP . 15.8 t80 -68.91 -23.39 64.17 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.724 1.265 . . . . 0.0 110.922 179.908 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -103.67 -5.1 22.93 Favored 'General case' 0 C--N 1.326 -0.42 0 O-C-N 124.544 1.153 . . . . 0.0 110.807 179.878 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -87.54 -66.0 0.96 Allowed 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.127 0.892 . . . . 0.0 110.506 -179.523 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -51.82 -53.21 42.72 Favored 'General case' 0 C--N 1.326 -0.423 0 O-C-N 124.259 0.974 . . . . 0.0 110.335 -179.29 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 131.93 27.75 0.64 Allowed Glycine 0 CA--C 1.529 0.909 0 O-C-N 124.416 1.073 . . . . 0.0 113.96 179.304 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 1.2 m -66.73 -42.1 86.83 Favored 'General case' 0 CA--C 1.544 0.72 0 N-CA-C 108.05 -1.093 . . . . 0.0 108.05 179.515 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 0.3 OUTLIER -65.71 -6.78 4.03 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.547 0 O-C-N 125.377 1.673 . . . . 0.0 113.134 -177.29 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -54.13 -25.6 23.06 Favored 'General case' 0 CA--C 1.539 0.527 0 O-C-N 125.774 1.921 . . . . 0.0 107.84 178.447 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -155.26 16.53 0.41 Allowed 'General case' 0 N--CA 1.45 -0.441 0 O-C-N 124.743 1.277 . . . . 0.0 111.647 -179.149 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 6.4 m-70 -115.3 164.08 14.76 Favored 'General case' 0 CA--C 1.539 0.533 0 O-C-N 123.738 0.649 . . . . 0.0 110.572 179.502 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -153.13 155.68 37.21 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 114.182 -1.372 . . . . 0.0 108.309 178.02 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 0.5 OUTLIER -90.73 -26.58 5.16 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 O-C-N 124.675 1.234 . . . . 0.0 111.267 -179.341 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 3.4 p30 -133.17 22.29 4.1 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.501 1.126 . . . . 0.0 110.523 -179.755 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -145.14 160.13 41.91 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.44 1.087 . . . . 0.0 109.822 179.367 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -121.79 123.94 42.99 Favored 'General case' 0 C--N 1.326 -0.425 0 O-C-N 124.593 1.183 . . . . 0.0 109.955 -179.369 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 22' ' ' MET . . . . . . . . . . . . . 21.0 mtp -124.21 -96.76 0.45 Allowed 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.444 1.09 . . . . 0.0 110.037 179.089 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 2.2 t -94.27 -39.25 10.23 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 N-CA-C 107.462 -1.31 . . . . 0.0 107.462 178.064 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -103.92 172.46 20.82 Favored Glycine 0 CA--C 1.532 1.096 0 CA-C-N 114.166 -1.379 . . . . 0.0 110.763 179.685 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 25' ' ' PRO . . . . . 0.663 ' CD ' ' CHA' ' A' ' 83' ' ' HEM . 72.2 Cg_endo -74.45 153.1 44.46 Favored 'Trans proline' 0 C--N 1.359 1.094 0 O-C-N 124.392 1.733 . . . . 0.0 111.508 -179.234 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -75.71 139.05 41.7 Favored 'General case' 0 C--N 1.325 -0.493 0 N-CA-C 106.919 -1.511 . . . . 0.0 106.919 176.865 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 27' ' ' TYR . . . . . 0.608 ' CE2' ' CE3' ' A' ' 77' ' ' TRP . 15.1 m-85 -67.93 -26.16 65.83 Favored 'General case' 0 C--N 1.324 -0.542 0 O-C-N 124.959 1.412 . . . . 0.0 110.851 -178.812 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 17.3 ttmt -74.49 -24.19 58.98 Favored 'General case' 0 C--N 1.326 -0.414 0 O-C-N 124.996 1.435 . . . . 0.0 109.959 -179.63 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 29.0 m-20 -81.99 -43.8 17.54 Favored 'General case' 0 C--N 1.325 -0.471 0 N-CA-C 107.633 -1.247 . . . . 0.0 107.633 178.5 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 71.0 t -63.45 -28.16 44.47 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.474 0 CA-C-N 114.126 -1.397 . . . . 0.0 107.359 177.511 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -73.35 -34.41 65.61 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 114.163 -1.38 . . . . 0.0 108.819 179.412 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -64.15 -9.86 19.36 Favored 'General case' 0 CA--C 1.544 0.72 0 O-C-N 124.741 1.276 . . . . 0.0 109.852 179.924 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 33' ' ' LYS . . . . . 0.5 ' O ' ' CB ' ' A' ' 34' ' ' PHE . 1.2 mtmm -147.6 87.14 1.62 Allowed 'General case' 0 N--CA 1.447 -0.584 0 O-C-N 125.316 1.635 . . . . 0.0 111.261 178.744 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 34' ' ' PHE . . . . . 0.5 ' CB ' ' O ' ' A' ' 33' ' ' LYS . 10.3 m-30 130.3 -11.51 0.0 OUTLIER 'General case' 0 CA--C 1.546 0.795 0 C-N-CA 125.823 1.649 . . . . 0.0 112.363 177.978 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -93.05 31.33 1.45 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.691 1.245 . . . . 0.0 110.084 -179.859 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . -163.35 31.25 0.27 Allowed Glycine 0 CA--C 1.538 1.489 0 N-CA-C 109.506 -1.438 . . . . 0.0 109.506 179.243 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 37' ' ' GLN . . . . . 0.419 ' CA ' ' NE2' ' A' ' 37' ' ' GLN . 0.0 OUTLIER 176.62 -55.82 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 113.776 -1.212 . . . . 0.0 110.617 -178.761 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . 95.27 -95.72 0.0 OUTLIER 'General case' 0 CA--C 1.544 0.734 0 N-CA-C 107.306 -1.368 . . . . 0.0 107.306 -177.469 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 71.68 -0.83 33.27 Favored Glycine 0 CA--C 1.529 0.932 0 O-C-N 124.872 1.357 . . . . 0.0 113.65 178.396 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -174.34 80.85 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.484 0.755 . . . . 0.0 111.13 -179.862 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -123.68 10.23 9.01 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.486 1.116 . . . . 0.0 111.052 179.573 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -102.41 -63.53 1.15 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.312 1.008 . . . . 0.0 108.376 179.311 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 40.2 mt-10 -77.71 0.67 22.63 Favored 'General case' 0 CA--C 1.539 0.557 0 O-C-N 124.858 1.349 . . . . 0.0 110.471 177.438 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 1.4 tm? -87.11 -34.46 19.1 Favored 'General case' 0 C--N 1.323 -0.563 0 N-CA-C 106.423 -1.695 . . . . 0.0 106.423 176.952 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -73.92 -23.86 59.59 Favored 'General case' 0 CA--C 1.536 0.421 0 CA-C-N 114.085 -1.416 . . . . 0.0 108.258 177.246 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 46' ' ' GLN . . . . . . . . . . . . . 2.5 tm0? -78.37 -20.75 50.58 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-N 114.379 -1.282 . . . . 0.0 109.77 -179.645 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 22.8 mmt-85 -73.6 -35.31 65.37 Favored 'General case' 0 CA--C 1.539 0.532 0 O-C-N 125.294 1.621 . . . . 0.0 108.011 177.427 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 2.2 mt -64.92 -24.98 36.67 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 125.102 1.501 . . . . 0.0 110.676 179.492 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 3.5 ptpp? -118.37 2.33 11.87 Favored 'General case' 0 N--CA 1.449 -0.485 0 N-CA-C 113.904 1.076 . . . . 0.0 113.904 -177.722 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 16.9 t30 -129.54 -5.06 4.73 Favored 'General case' 0 N--CA 1.45 -0.431 0 O-C-N 124.267 0.979 . . . . 0.0 111.804 -179.545 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 76.67 149.36 3.01 Favored Glycine 0 CA--C 1.529 0.931 0 O-C-N 124.289 0.993 . . . . 0.0 111.694 179.636 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 13.0 m -81.82 -152.51 0.1 Allowed 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.47 0.747 . . . . 0.0 109.561 179.808 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -160.29 39.61 0.18 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.452 1.095 . . . . 0.0 110.173 -179.858 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 73.06 76.33 0.66 Allowed Glycine 0 CA--C 1.531 1.056 0 CA-C-N 114.82 -1.082 . . . . 0.0 110.59 -179.782 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 48.7 t -93.14 -40.64 12.11 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.427 0 O-C-N 124.491 0.76 . . . . 0.0 110.177 -179.457 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 56' ' ' TRP . . . . . . . . . . . . . 8.1 m95 -99.17 -24.0 15.02 Favored 'General case' 0 C--N 1.326 -0.425 0 O-C-N 124.547 1.155 . . . . 0.0 109.225 -179.481 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 146.58 -67.13 0.41 Allowed Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.402 1.064 . . . . 0.0 112.821 179.358 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 58' ' ' PRO . . . . . . . . . . . . . 17.3 Cg_exo -51.36 169.65 0.2 Allowed 'Trans proline' 0 C--N 1.361 1.2 0 O-C-N 124.458 1.767 . . . . 0.0 112.326 -178.729 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 59' ' ' ILE . . . . . . . . . . . . . 0.3 OUTLIER -49.72 155.49 1.43 Allowed Pre-proline 0 C--N 1.327 -0.396 0 CA-C-N 114.874 -1.057 . . . . 0.0 109.99 -179.805 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 60' ' ' PRO . . . . . . . . . . . . . 19.8 Cg_endo -77.43 160.03 32.31 Favored 'Trans proline' 0 C--N 1.36 1.161 0 O-C-N 124.331 1.7 . . . . 0.0 111.884 -179.215 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 61' ' ' MET . . . . . . . . . . . . . 5.3 ttp -64.14 130.35 94.5 Favored Pre-proline 0 C--N 1.326 -0.456 0 O-C-N 124.38 1.05 . . . . 0.0 111.547 -179.958 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 62' ' ' PRO . . . . . . . . . . . . . 0.9 OUTLIER -50.85 116.08 2.4 Favored 'Trans proline' 0 C--N 1.361 1.185 0 O-C-N 124.49 1.784 . . . . 0.0 110.205 179.268 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 63' ' ' PRO . . . . . . . . . . . . . 11.7 Cg_endo -64.9 107.87 0.99 Allowed 'Trans proline' 0 C--N 1.36 1.15 0 O-C-N 124.292 1.68 . . . . 0.0 110.951 -179.392 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 28.7 m-20 -96.29 -160.9 0.83 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.416 1.072 . . . . 0.0 109.032 179.757 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -144.35 98.6 3.23 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.432 1.082 . . . . 0.0 109.493 -179.936 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 1.5 t -108.79 170.19 2.94 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.491 1.119 . . . . 0.0 109.237 179.985 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 14.6 m -93.54 22.26 5.54 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.484 1.115 . . . . 0.0 110.545 -179.723 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 31.0 t0 52.89 57.46 6.33 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.344 1.028 . . . . 0.0 109.813 179.876 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 4.4 m-20 -153.03 -68.51 0.15 Allowed 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 114.727 -1.124 . . . . 0.0 108.366 179.19 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 3.7 mt-10 -54.28 -23.17 13.99 Favored 'General case' 0 C--N 1.326 -0.431 0 O-C-N 124.824 1.327 . . . . 0.0 109.026 178.118 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -81.19 -47.57 13.25 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 114.567 -1.197 . . . . 0.0 108.71 179.011 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -47.67 -34.65 8.39 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.7 1.25 . . . . 0.0 112.308 -179.696 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -77.64 -45.56 24.66 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.15 0.906 . . . . 0.0 110.826 -179.599 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 3.9 mm? -73.76 -6.71 48.6 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.572 1.17 . . . . 0.0 110.556 -179.982 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -94.49 -19.78 20.25 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.157 0.911 . . . . 0.0 110.047 -179.642 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -88.18 -13.43 41.18 Favored 'General case' 0 C--N 1.323 -0.573 0 O-C-N 124.605 1.191 . . . . 0.0 108.996 179.124 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 77' ' ' TRP . . . . . 0.608 ' CE3' ' CE2' ' A' ' 27' ' ' TYR . 27.7 t90 -90.15 -43.71 10.26 Favored 'General case' 0 C--N 1.324 -0.535 0 N-CA-C 106.458 -1.682 . . . . 0.0 106.458 178.774 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 0.9 OUTLIER -61.91 -50.91 78.24 Favored 'Isoleucine or valine' 0 CA--C 1.544 0.718 0 N-CA-C 105.977 -1.861 . . . . 0.0 105.977 176.702 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 1.5 tp -57.92 -64.42 0.91 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 113.459 -1.7 . . . . 0.0 109.37 -179.658 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 31.2 t -112.56 123.49 50.41 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.385 1.053 . . . . 0.0 110.144 -179.914 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 81' ' ' GLN . . . . . . . . . . . . . 2.4 mt-30 -51.43 -76.53 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.15 0.906 . . . . 0.0 110.182 -179.95 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--N 1.326 -0.451 0 O-C-N 124.535 1.147 . . . . 0.0 109.278 179.889 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 83' ' ' HEM . . . . . 0.663 ' CHA' ' CD ' ' A' ' 25' ' ' PRO . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 1' ' ' GLU . . . . . . . . . . . . . 8.3 mm-40 . . . . . 0 N--CA 1.452 -0.358 0 N-CA-C 110.364 -0.236 . . . . 0.0 110.364 . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 2' ' ' ASP . . . . . 0.477 ' N ' ' CD ' ' A' ' 3' ' ' PRO . 0.3 OUTLIER 172.33 -51.54 0.0 OUTLIER Pre-proline 0 C--N 1.327 -0.413 0 O-C-N 124.525 1.141 . . . . 0.0 110.091 179.979 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 3' ' ' PRO . . . . . 0.477 ' CD ' ' N ' ' A' ' 2' ' ' ASP . 25.6 Cg_endo -80.76 -26.95 3.44 Favored 'Trans proline' 0 C--N 1.358 1.032 0 O-C-N 124.476 1.777 . . . . 0.0 110.516 -179.654 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 12.8 tm-20 -81.14 -19.96 42.38 Favored 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.686 1.241 . . . . 0.0 109.953 179.061 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 5.2 t -91.63 -27.12 4.88 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.52 0 O-C-N 124.476 1.11 . . . . 0.0 109.106 179.889 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 3.7 tt -83.2 -33.1 26.22 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.619 1.199 . . . . 0.0 107.927 178.821 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 7' ' ' PHE . . . . . 0.477 ' CE1' ' CG2' ' A' ' 13' ' ' VAL . 7.9 t80 -62.71 -47.31 84.16 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 114.323 -1.308 . . . . 0.0 110.68 179.469 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 8.7 tttt -86.29 -15.72 39.77 Favored 'General case' 0 C--N 1.327 -0.402 0 O-C-N 124.837 1.336 . . . . 0.0 111.9 -178.93 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -52.83 -64.81 0.7 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.35 1.031 . . . . 0.0 108.864 179.931 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 1.3 ptpp? 175.23 80.43 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.674 1.234 . . . . 0.0 109.089 179.707 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 140.03 97.01 0.33 Allowed Glycine 0 CA--C 1.531 1.076 0 O-C-N 124.649 1.218 . . . . 0.0 111.754 179.846 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 3.7 m 140.67 -64.27 0.0 OUTLIER 'General case' 0 CA--C 1.558 1.264 0 N-CA-C 104.806 -2.294 . . . . 0.0 104.806 -179.575 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 13' ' ' VAL . . . . . 0.477 ' CG2' ' CE1' ' A' ' 7' ' ' PHE . 1.8 p -69.21 -8.33 9.95 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.537 0 O-C-N 125.51 1.756 . . . . 0.0 110.974 178.967 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -48.08 -32.24 6.53 Favored 'General case' 0 CA--C 1.541 0.61 0 O-C-N 126.502 2.376 . . . . 0.0 106.522 177.984 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -152.1 24.7 0.64 Allowed 'General case' 0 C--O 1.238 0.474 0 CA-C-N 113.858 -1.519 . . . . 0.0 111.849 178.77 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 33.3 m-70 -120.39 -179.02 3.83 Favored 'General case' 0 N--CA 1.445 -0.71 0 CA-C-O 122.737 1.256 . . . . 0.0 113.968 179.934 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -158.13 171.58 19.96 Favored 'General case' 0 CA--C 1.54 0.577 0 CA-C-N 113.285 -1.78 . . . . 0.0 108.511 179.49 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 0.2 OUTLIER -134.86 53.76 0.33 Allowed 'Isoleucine or valine' 0 CA--C 1.541 0.605 0 N-CA-C 107.511 -1.292 . . . . 0.0 107.511 178.314 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 1.9 p30 160.7 -19.29 0.0 OUTLIER 'General case' 0 N--CA 1.451 -0.397 0 CA-C-N 113.621 -1.627 . . . . 0.0 111.545 178.627 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -127.03 175.31 8.2 Favored 'General case' 0 C--N 1.324 -0.531 0 O-C-N 124.3 1.0 . . . . 0.0 111.232 -179.275 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 5.2 ptmm? -118.14 142.08 47.81 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 114.895 -1.048 . . . . 0.0 109.927 -179.786 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 22' ' ' MET . . . . . . . . . . . . . 20.9 mtt -139.77 -89.94 0.19 Allowed 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 114.911 -1.04 . . . . 0.0 110.272 179.46 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 2.7 t -101.09 -37.31 5.34 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 N-CA-C 107.942 -1.133 . . . . 0.0 107.942 178.416 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -114.09 -168.39 16.36 Favored Glycine 0 CA--C 1.532 1.125 0 O-C-N 124.847 1.342 . . . . 0.0 111.354 -179.723 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 25' ' ' PRO . . . . . 0.594 ' CD ' ' CHA' ' A' ' 83' ' ' HEM . 87.4 Cg_endo -81.07 141.55 13.13 Favored 'Trans proline' 0 N--CA 1.448 -1.192 0 C-N-CA 122.167 1.911 . . . . 0.0 113.528 -178.885 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -63.51 131.57 48.53 Favored 'General case' 0 C--N 1.325 -0.489 0 N-CA-C 105.844 -1.91 . . . . 0.0 105.844 175.588 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 27' ' ' TYR . . . . . 0.517 ' CE2' ' CE3' ' A' ' 77' ' ' TRP . 5.9 m-85 -59.29 -19.73 48.52 Favored 'General case' 0 C--N 1.324 -0.537 0 O-C-N 124.813 1.321 . . . . 0.0 110.511 -178.892 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 1.2 tttt -80.41 -39.16 28.84 Favored 'General case' 0 CA--C 1.536 0.408 0 O-C-N 124.443 1.09 . . . . 0.0 109.954 179.941 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -65.4 -34.05 77.39 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.74 1.275 . . . . 0.0 108.162 179.582 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 6.9 t -73.16 -31.63 35.45 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.544 0 N-CA-C 106.883 -1.525 . . . . 0.0 106.883 177.457 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -89.37 15.33 9.32 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 114.022 -1.445 . . . . 0.0 109.644 179.091 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -129.55 2.99 5.03 Favored 'General case' 0 CA--C 1.537 0.446 0 O-C-N 124.064 0.853 . . . . 0.0 111.272 179.407 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -135.86 -24.46 1.31 Allowed 'General case' 0 N--CA 1.449 -0.484 0 O-C-N 124.781 1.301 . . . . 0.0 113.875 179.566 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 1.6 t80 -125.3 -1.32 7.61 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 123.805 0.691 . . . . 0.0 112.266 179.851 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -76.3 -179.83 5.34 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.304 1.003 . . . . 0.0 108.968 179.051 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 49.17 23.76 4.26 Favored Glycine 0 CA--C 1.531 1.034 0 O-C-N 124.384 1.052 . . . . 0.0 111.14 179.972 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 13.0 mm100 -135.84 -63.57 0.65 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.418 0.717 . . . . 0.0 110.344 -179.553 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . 56.02 -163.94 0.15 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.484 1.115 . . . . 0.0 109.239 -179.851 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 112.27 -37.7 3.56 Favored Glycine 0 CA--C 1.529 0.939 0 O-C-N 124.508 1.13 . . . . 0.0 110.936 -179.838 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -80.24 -95.04 0.04 OUTLIER 'General case' 0 C--N 1.326 -0.415 0 O-C-N 124.504 0.767 . . . . 0.0 109.484 -179.993 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER 51.06 18.81 0.59 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.175 0.922 . . . . 0.0 111.444 -179.508 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -124.61 -56.66 1.59 Allowed 'General case' 0 C--N 1.324 -0.509 0 N-CA-C 106.966 -1.494 . . . . 0.0 106.966 177.787 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 3.9 tt0 -86.5 -4.59 59.2 Favored 'General case' 0 CA--C 1.542 0.642 0 O-C-N 125.346 1.654 . . . . 0.0 110.021 176.573 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 1.3 tm? -90.05 -34.28 16.0 Favored 'General case' 0 C--N 1.325 -0.478 0 N-CA-C 107.475 -1.305 . . . . 0.0 107.475 177.416 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -76.7 -23.0 53.14 Favored 'General case' 0 CA--C 1.537 0.471 0 O-C-N 124.919 1.387 . . . . 0.0 107.662 176.95 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 46' ' ' GLN . . . . . . . . . . . . . 5.0 tt0 -76.62 -21.95 54.81 Favored 'General case' 0 CA--C 1.536 0.422 0 CA-C-N 114.166 -1.379 . . . . 0.0 109.484 179.727 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 10.4 mmt180 -70.31 -36.49 74.34 Favored 'General case' 0 CA--C 1.545 0.751 0 O-C-N 125.36 1.663 . . . . 0.0 107.524 176.988 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 18.3 mt -78.52 -9.65 12.44 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 125.27 1.606 . . . . 0.0 111.12 179.694 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -118.16 -5.62 10.91 Favored 'General case' 0 N--CA 1.451 -0.38 0 O-C-N 123.903 0.752 . . . . 0.0 112.884 -178.385 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -138.02 -4.62 1.72 Allowed 'General case' 0 N--CA 1.45 -0.462 0 O-C-N 124.767 1.292 . . . . 0.0 113.027 -178.897 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 83.79 162.91 34.39 Favored Glycine 0 CA--C 1.53 0.988 0 O-C-N 124.108 0.88 . . . . 0.0 111.484 179.637 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -137.27 138.02 39.63 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.442 0.73 . . . . 0.0 109.782 179.803 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 2.5 pt20 -141.3 90.9 2.34 Favored 'General case' 0 C--N 1.324 -0.53 0 O-C-N 124.551 1.157 . . . . 0.0 110.362 -179.838 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 129.73 66.53 0.11 Allowed Glycine 0 CA--C 1.532 1.095 0 O-C-N 124.441 1.088 . . . . 0.0 110.925 -179.985 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 13.3 t -138.38 -76.98 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.63 0.841 . . . . 0.0 109.45 -179.885 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 56' ' ' TRP . . . . . . . . . . . . . 3.0 m95 -97.57 -26.51 14.77 Favored 'General case' 0 C--N 1.327 -0.401 0 O-C-N 124.452 1.095 . . . . 0.0 108.366 179.934 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 168.98 -156.42 27.71 Favored Glycine 0 CA--C 1.529 0.968 0 O-C-N 124.418 1.073 . . . . 0.0 111.146 179.77 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 58' ' ' PRO . . . . . . . . . . . . . 19.4 Cg_endo -72.34 -160.27 0.09 OUTLIER 'Trans proline' 0 C--N 1.36 1.167 0 O-C-N 124.561 1.822 . . . . 0.0 110.869 -179.956 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 59' ' ' ILE . . . . . . . . . . . . . 0.3 OUTLIER 60.22 83.54 0.21 Allowed Pre-proline 0 C--N 1.326 -0.439 0 O-C-N 124.578 1.174 . . . . 0.0 109.168 -179.934 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 60' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -74.36 160.99 41.16 Favored 'Trans proline' 0 C--N 1.36 1.178 0 O-C-N 124.481 1.78 . . . . 0.0 111.068 -179.553 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 61' ' ' MET . . . . . . . . . . . . . 10.1 ttp -90.05 113.46 57.28 Favored Pre-proline 0 C--N 1.325 -0.458 0 O-C-N 124.533 1.146 . . . . 0.0 110.9 179.994 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 62' ' ' PRO . . . . . . . . . . . . . 6.8 Cg_exo -49.18 109.7 0.29 Allowed 'Trans proline' 0 C--N 1.362 1.253 0 O-C-N 124.527 1.804 . . . . 0.0 110.753 -179.527 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 63' ' ' PRO . . . . . . . . . . . . . 17.9 Cg_exo -48.37 108.59 0.19 Allowed 'Trans proline' 0 C--N 1.361 1.216 0 O-C-N 124.461 1.769 . . . . 0.0 110.774 -179.815 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 5.9 t-20 -79.31 -43.13 24.22 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.604 1.19 . . . . 0.0 109.787 -179.634 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . 65.4 97.56 0.05 OUTLIER 'General case' 0 C--N 1.324 -0.533 0 O-C-N 124.439 1.087 . . . . 0.0 109.618 -179.944 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 0.5 OUTLIER -102.73 -146.85 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.331 1.019 . . . . 0.0 109.171 179.824 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 18.8 t -109.15 25.95 11.2 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.37 1.044 . . . . 0.0 110.108 -179.914 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER 45.77 32.06 1.16 Allowed 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.651 1.219 . . . . 0.0 110.149 179.971 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 34.3 t70 -141.33 -68.25 0.39 Allowed 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 114.579 -1.191 . . . . 0.0 108.309 179.073 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -54.02 -23.65 14.22 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.878 1.361 . . . . 0.0 108.963 178.127 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -80.27 -46.72 15.72 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 114.487 -1.233 . . . . 0.0 108.669 179.141 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 1.2 tt0 -50.57 -24.04 2.96 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.709 1.256 . . . . 0.0 110.576 179.816 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 0.5 OUTLIER -72.9 -52.18 15.7 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.483 1.115 . . . . 0.0 110.178 179.774 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 1.1 mp -74.58 -9.84 58.97 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.566 1.166 . . . . 0.0 110.352 179.643 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -79.82 -25.93 40.67 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.271 0.982 . . . . 0.0 109.319 -179.972 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 2.1 pttp -87.23 -19.17 28.74 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.701 1.251 . . . . 0.0 109.648 179.736 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 77' ' ' TRP . . . . . 0.517 ' CE3' ' CE2' ' A' ' 27' ' ' TYR . 29.5 t90 -83.48 -42.11 17.27 Favored 'General case' 0 C--N 1.324 -0.513 0 N-CA-C 106.687 -1.597 . . . . 0.0 106.687 179.069 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 78' ' ' VAL . . . . . 0.412 ' CG1' ' N ' ' A' ' 79' ' ' LEU . 0.9 OUTLIER -61.28 -52.14 64.86 Favored 'Isoleucine or valine' 0 CA--C 1.543 0.675 0 N-CA-C 106.156 -1.794 . . . . 0.0 106.156 177.282 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 79' ' ' LEU . . . . . 0.412 ' N ' ' CG1' ' A' ' 78' ' ' VAL . 3.5 mt -51.03 -70.3 0.09 Allowed 'General case' 0 N--CA 1.451 -0.413 0 O-C-N 125.218 1.574 . . . . 0.0 108.977 179.753 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 2.1 m -85.36 -133.21 0.05 Allowed 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 114.213 -1.358 . . . . 0.0 109.289 -179.901 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 81' ' ' GLN . . . . . . . . . . . . . 13.4 tt0 -154.85 -43.89 0.09 Allowed 'General case' 0 C--N 1.324 -0.53 0 O-C-N 124.325 1.015 . . . . 0.0 110.606 179.987 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 4.6 tttt . . . . . 0 C--N 1.326 -0.446 0 O-C-N 124.339 1.024 . . . . 0.0 109.09 179.995 . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 83' ' ' HEM . . . . . 0.594 ' CHA' ' CD ' ' A' ' 25' ' ' PRO . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 1' ' ' GLU . . . . . . . . . . . . . 11.9 tt0 . . . . . 0 N--CA 1.453 -0.305 0 N-CA-C 110.287 -0.264 . . . . 0.0 110.287 . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER 168.94 64.97 0.01 OUTLIER Pre-proline 0 C--N 1.324 -0.53 0 O-C-N 124.61 1.194 . . . . 0.0 109.06 179.867 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 3' ' ' PRO . . . . . . . . . . . . . 37.9 Cg_endo -84.32 -25.32 2.18 Favored 'Trans proline' 0 C--N 1.358 1.045 0 O-C-N 124.653 1.87 . . . . 0.0 109.859 179.988 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 20.3 mt-10 -81.08 -20.96 40.41 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.855 1.347 . . . . 0.0 109.461 178.524 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 0.9 OUTLIER -85.69 -35.95 10.16 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.801 1.313 . . . . 0.0 108.619 179.227 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 15.2 tp -73.32 -38.59 65.75 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.588 1.18 . . . . 0.0 108.727 179.394 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 7' ' ' PHE . . . . . 0.454 ' CD1' ' C ' ' A' ' 7' ' ' PHE . 1.3 t80 -71.37 -14.78 62.29 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.682 1.239 . . . . 0.0 110.94 179.382 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 37.6 tttt -115.42 12.84 16.39 Favored 'General case' 0 C--N 1.326 -0.42 0 O-C-N 124.239 0.962 . . . . 0.0 111.748 -179.239 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 2.2 m120 -95.22 40.64 1.1 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.149 0.906 . . . . 0.0 108.629 179.375 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER 62.66 69.1 0.61 Allowed 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 114.569 -1.196 . . . . 0.0 108.718 -179.72 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 158.88 93.67 0.1 OUTLIER Glycine 0 CA--C 1.532 1.124 0 O-C-N 124.577 1.173 . . . . 0.0 111.374 -179.708 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 12.1 m 133.89 -60.21 0.0 OUTLIER 'General case' 0 CA--C 1.556 1.174 0 N-CA-C 104.664 -2.347 . . . . 0.0 104.664 -178.993 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 13' ' ' VAL . . . . . 0.426 ' C ' ' N ' ' A' ' 15' ' ' CYS . 0.5 OUTLIER -71.02 -5.8 6.28 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 125.524 1.765 . . . . 0.0 110.218 177.899 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -46.93 -30.21 2.44 Favored 'General case' 0 CA--C 1.541 0.621 0 O-C-N 126.223 2.202 . . . . 0.0 106.649 177.426 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 15' ' ' CYS . . . . . 0.426 ' N ' ' C ' ' A' ' 13' ' ' VAL . 0.8 OUTLIER -167.96 37.66 0.03 OUTLIER 'General case' 0 C--O 1.238 0.49 0 O-C-N 125.594 1.809 . . . . 0.0 113.849 178.321 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 4.6 m-70 -108.93 -99.93 0.38 Allowed 'General case' 0 N--CA 1.452 -0.361 0 N-CA-C 113.972 1.101 . . . . 0.0 113.972 179.83 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . 102.37 152.11 0.01 OUTLIER 'General case' 0 CA--C 1.545 0.78 0 N-CA-C 107.178 -1.415 . . . . 0.0 107.178 -176.916 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 0.5 OUTLIER -99.81 -24.93 4.01 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.44 0 O-C-N 125.021 1.451 . . . . 0.0 112.299 -178.075 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 28.0 t0 -136.56 27.98 3.03 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.414 1.071 . . . . 0.0 109.191 179.754 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -144.96 159.67 42.56 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.609 1.193 . . . . 0.0 110.131 179.71 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 21' ' ' LYS . . . . . 0.453 ' NZ ' ' CB ' ' A' ' 21' ' ' LYS . 1.0 OUTLIER -112.73 165.51 12.22 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.546 1.154 . . . . 0.0 109.163 179.999 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 22' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -175.08 -88.56 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.428 0 O-C-N 124.473 1.108 . . . . 0.0 110.691 179.839 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 1.5 t -112.97 -36.81 2.57 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.378 1.049 . . . . 0.0 108.83 179.746 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -111.98 173.52 15.63 Favored Glycine 0 CA--C 1.532 1.135 0 CA-C-N 114.569 -1.196 . . . . 0.0 111.432 -179.183 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 25' ' ' PRO . . . . . 0.724 ' CD ' ' CHA' ' A' ' 83' ' ' HEM . 58.9 Cg_endo -72.06 146.74 47.37 Favored 'Trans proline' 0 C--N 1.359 1.117 0 C-N-CA 121.976 1.784 . . . . 0.0 111.684 -179.342 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -78.76 142.16 37.23 Favored 'General case' 0 C--N 1.325 -0.49 0 N-CA-C 106.688 -1.597 . . . . 0.0 106.688 177.11 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 27' ' ' TYR . . . . . 0.648 ' CE2' ' CE3' ' A' ' 77' ' ' TRP . 11.8 m-85 -68.33 -18.38 64.48 Favored 'General case' 0 C--N 1.323 -0.559 0 O-C-N 124.725 1.266 . . . . 0.0 111.817 -178.443 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 34.6 tttt -86.68 -22.06 26.32 Favored 'General case' 0 C--N 1.326 -0.424 0 O-C-N 124.536 1.147 . . . . 0.0 109.893 -179.999 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -82.29 -40.91 20.85 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.523 1.139 . . . . 0.0 107.97 178.356 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 4.1 t -64.36 -33.18 61.07 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.909 1.381 . . . . 0.0 107.512 178.153 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -71.33 -32.03 68.09 Favored 'General case' 0 CA--C 1.535 0.377 0 O-C-N 124.893 1.371 . . . . 0.0 108.234 178.697 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -91.4 16.28 10.51 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 114.644 -1.162 . . . . 0.0 111.268 -179.566 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -129.5 -82.09 0.56 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.303 1.002 . . . . 0.0 108.738 179.071 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 0.7 OUTLIER -66.72 -29.11 69.02 Favored 'General case' 0 C--N 1.326 -0.428 0 O-C-N 124.508 1.13 . . . . 0.0 110.642 179.384 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . 53.28 -155.48 0.2 Allowed 'General case' 0 C--N 1.327 -0.402 0 O-C-N 124.824 1.328 . . . . 0.0 108.708 179.74 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . -89.43 44.31 3.06 Favored Glycine 0 CA--C 1.533 1.166 0 O-C-N 124.656 1.223 . . . . 0.0 110.547 179.443 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER -54.89 -31.39 59.85 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.483 0.755 . . . . 0.0 110.086 -179.882 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . 50.56 49.98 19.74 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.485 1.116 . . . . 0.0 110.198 179.423 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . -149.66 22.71 1.18 Allowed Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.482 1.114 . . . . 0.0 110.763 179.585 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -162.68 76.03 0.43 Allowed 'General case' 0 C--N 1.327 -0.407 0 O-C-N 124.577 0.81 . . . . 0.0 110.063 -179.748 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 38.9 mt-10 -129.4 -28.75 2.28 Favored 'General case' 0 N--CA 1.452 -0.368 0 O-C-N 124.485 1.116 . . . . 0.0 113.319 -179.552 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -74.47 -64.86 0.94 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.223 0.952 . . . . 0.0 109.828 -179.157 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 5.7 pt-20 -77.11 -0.17 23.83 Favored 'General case' 0 CA--C 1.537 0.471 0 O-C-N 124.648 1.218 . . . . 0.0 110.617 178.244 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -84.98 -34.0 22.49 Favored 'General case' 0 C--N 1.323 -0.563 0 N-CA-C 106.346 -1.724 . . . . 0.0 106.346 176.657 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -73.6 -24.99 60.12 Favored 'General case' 0 N--CA 1.452 -0.364 0 CA-C-N 113.92 -1.491 . . . . 0.0 108.883 178.17 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 46' ' ' GLN . . . . . . . . . . . . . 5.7 tt0 -76.49 -21.72 55.45 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 114.612 -1.177 . . . . 0.0 109.968 -179.468 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -77.09 -32.99 57.04 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 125.32 1.638 . . . . 0.0 108.56 177.79 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 49.5 mt -63.15 -24.35 35.72 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 125.12 1.513 . . . . 0.0 109.313 178.876 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 5.7 pttt -120.03 4.97 10.87 Favored 'General case' 0 N--CA 1.449 -0.484 0 O-C-N 124.301 1.001 . . . . 0.0 113.163 -177.925 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 3.5 t-20 -139.45 8.02 2.39 Favored 'General case' 0 C--N 1.326 -0.432 0 O-C-N 124.144 0.903 . . . . 0.0 111.628 -179.968 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 76.03 146.97 1.89 Allowed Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.149 0.906 . . . . 0.0 112.077 179.358 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -78.84 -19.68 51.45 Favored 'General case' 0 C--N 1.326 -0.415 0 O-C-N 124.399 0.705 . . . . 0.0 110.737 179.929 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER 74.65 18.9 2.69 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.458 1.099 . . . . 0.0 111.042 -179.968 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 92.15 91.41 1.44 Allowed Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.415 1.072 . . . . 0.0 111.529 179.603 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 37.1 t -108.54 -41.48 5.17 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.499 0.764 . . . . 0.0 109.116 179.753 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 56' ' ' TRP . . . . . . . . . . . . . 7.0 m95 -109.44 27.72 9.26 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.529 1.143 . . . . 0.0 108.113 179.656 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 129.74 -155.06 20.73 Favored Glycine 0 CA--C 1.529 0.925 0 O-C-N 124.595 1.185 . . . . 0.0 111.167 179.866 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 58' ' ' PRO . . . . . . . . . . . . . 16.0 Cg_endo -77.9 -159.51 0.1 Allowed 'Trans proline' 0 C--N 1.359 1.131 0 O-C-N 124.382 1.727 . . . . 0.0 111.319 -179.322 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 59' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER 44.6 84.86 0.18 Allowed Pre-proline 0 C--N 1.325 -0.482 0 O-C-N 124.614 1.196 . . . . 0.0 111.327 179.899 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 60' ' ' PRO . . . . . . . . . . . . . 13.4 Cg_endo -66.47 152.97 79.69 Favored 'Trans proline' 0 C--N 1.367 1.545 0 O-C-N 123.808 1.425 . . . . 0.0 110.853 179.48 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 61' ' ' MET . . . . . . . . . . . . . 6.2 ttp -62.86 113.94 10.74 Favored Pre-proline 0 C--N 1.325 -0.462 0 O-C-N 124.591 1.182 . . . . 0.0 111.433 -179.862 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 62' ' ' PRO . . . . . . . . . . . . . 14.0 Cg_exo -54.1 110.91 0.57 Allowed 'Trans proline' 0 C--N 1.36 1.163 0 O-C-N 124.536 1.808 . . . . 0.0 110.019 178.935 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 63' ' ' PRO . . . . . . . . . . . . . 24.3 Cg_exo -44.07 102.28 0.04 OUTLIER 'Trans proline' 0 C--N 1.358 1.051 0 O-C-N 124.679 1.884 . . . . 0.0 111.051 -179.382 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 5.7 t-20 -69.23 -35.42 76.13 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.34 1.025 . . . . 0.0 110.615 -179.067 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . 64.91 80.62 0.23 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.438 1.087 . . . . 0.0 109.105 -179.584 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 0.3 OUTLIER -103.11 -15.74 7.84 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.385 1.053 . . . . 0.0 110.583 -179.894 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER 84.67 165.85 0.1 Allowed 'General case' 0 C--N 1.323 -0.544 0 O-C-N 124.462 1.101 . . . . 0.0 109.73 -179.508 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 68' ' ' ASP . . . . . 0.422 ' O ' ' CB ' ' A' ' 69' ' ' ASP . 0.8 OUTLIER -70.29 141.4 52.37 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.524 1.14 . . . . 0.0 110.766 -179.134 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 69' ' ' ASP . . . . . 0.422 ' CB ' ' O ' ' A' ' 68' ' ' ASP . 4.0 t0 88.64 -36.95 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.443 1.089 . . . . 0.0 110.394 179.764 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 4.2 mt-10 -79.05 -32.11 44.74 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.629 1.206 . . . . 0.0 108.3 178.694 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -87.64 -31.71 19.64 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 113.952 -1.476 . . . . 0.0 108.365 178.412 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 6.7 tp60 -57.65 -34.89 69.84 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.799 1.312 . . . . 0.0 110.324 179.731 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 1.1 m -70.15 -47.96 59.41 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.563 1.165 . . . . 0.0 110.46 -179.959 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 2.9 mt -78.99 2.9 18.8 Favored 'General case' 0 N--CA 1.449 -0.487 0 O-C-N 124.45 1.093 . . . . 0.0 111.461 -179.481 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -100.12 -28.16 13.18 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.281 0.988 . . . . 0.0 110.573 -179.725 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 8.1 pttp -85.26 -16.32 40.56 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.596 1.185 . . . . 0.0 110.017 -179.912 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 77' ' ' TRP . . . . . 0.648 ' CE3' ' CE2' ' A' ' 27' ' ' TYR . 33.5 t90 -86.6 -38.82 16.74 Favored 'General case' 0 C--N 1.323 -0.544 0 N-CA-C 106.696 -1.594 . . . . 0.0 106.696 178.876 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 78' ' ' VAL . . . . . 0.426 ' CG1' ' N ' ' A' ' 79' ' ' LEU . 1.0 OUTLIER -63.79 -54.31 33.62 Favored 'Isoleucine or valine' 0 CA--C 1.542 0.654 0 N-CA-C 106.675 -1.602 . . . . 0.0 106.675 177.134 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 79' ' ' LEU . . . . . 0.426 ' N ' ' CG1' ' A' ' 78' ' ' VAL . 0.3 OUTLIER -62.45 -69.68 0.24 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 113.964 -1.471 . . . . 0.0 109.241 -179.271 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -85.57 113.31 21.71 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.442 1.089 . . . . 0.0 109.756 179.69 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 81' ' ' GLN . . . . . . . . . . . . . 14.5 pt20 -51.4 -41.44 60.73 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.43 1.081 . . . . 0.0 110.707 -179.778 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.325 -0.467 0 O-C-N 124.443 1.089 . . . . 0.0 109.368 -179.993 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 83' ' ' HEM . . . . . 0.724 ' CHA' ' CD ' ' A' ' 25' ' ' PRO . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 1' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 N--CA 1.453 -0.312 0 N-CA-C 110.33 -0.248 . . . . 0.0 110.33 . . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 2.3 m-20 70.13 56.1 0.49 Allowed Pre-proline 0 C--N 1.324 -0.541 0 O-C-N 124.507 1.129 . . . . 0.0 110.596 -179.725 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 3' ' ' PRO . . . . . . . . . . . . . 67.7 Cg_endo -82.62 -23.93 3.78 Favored 'Trans proline' 0 C--N 1.358 1.057 0 O-C-N 124.55 1.816 . . . . 0.0 109.536 178.441 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -80.79 -23.48 39.26 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.823 1.327 . . . . 0.0 109.211 178.632 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 41.0 t -88.34 -25.85 5.79 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.424 0 O-C-N 124.754 1.284 . . . . 0.0 108.977 179.246 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -81.61 -35.68 29.8 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 114.821 -1.081 . . . . 0.0 108.728 179.464 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 7' ' ' PHE . . . . . 0.606 ' CD2' ' CB ' ' A' ' 12' ' ' CYS . 0.4 OUTLIER -68.84 -23.94 64.31 Favored 'General case' 0 C--N 1.327 -0.406 0 O-C-N 124.827 1.329 . . . . 0.0 111.083 179.864 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 2.1 mmmt -92.38 -10.72 37.11 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.556 1.16 . . . . 0.0 111.377 -178.901 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 4.1 t30 -47.65 -75.18 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.312 1.007 . . . . 0.0 110.166 -179.694 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 6.6 mttp 176.11 79.91 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.511 1.132 . . . . 0.0 109.621 179.805 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -179.99 -69.08 0.07 OUTLIER Glycine 0 CA--C 1.529 0.924 0 O-C-N 124.614 1.196 . . . . 0.0 111.735 179.926 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 12' ' ' CYS . . . . . 0.606 ' CB ' ' CD2' ' A' ' 7' ' ' PHE . 60.1 m -58.18 -59.73 4.85 Favored 'General case' 0 N--CA 1.449 -0.494 0 O-C-N 124.268 0.628 . . . . 0.0 110.571 -179.126 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 0.3 OUTLIER -62.19 -4.69 1.08 Allowed 'Isoleucine or valine' 0 CA--C 1.536 0.44 0 N-CA-C 114.084 1.142 . . . . 0.0 114.084 -176.869 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -52.03 -31.34 29.4 Favored 'General case' 0 CA--C 1.538 0.516 0 O-C-N 125.906 2.004 . . . . 0.0 108.164 179.619 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 3.6 p -157.29 16.86 0.27 Allowed 'General case' 0 N--CA 1.45 -0.451 0 O-C-N 125.208 1.567 . . . . 0.0 112.631 -179.515 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 3.3 m-70 -94.27 -71.76 0.65 Allowed 'General case' 0 C--N 1.327 -0.404 0 N-CA-C 113.993 1.109 . . . . 0.0 113.993 -178.671 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . 68.8 160.04 0.18 Allowed 'General case' 0 C--N 1.325 -0.476 0 N-CA-C 107.689 -1.226 . . . . 0.0 107.689 -176.686 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 0.5 OUTLIER -101.18 -22.41 4.74 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.399 0 O-C-N 124.135 0.897 . . . . 0.0 112.534 -178.398 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 18.4 t0 -133.96 23.34 3.88 Favored 'General case' 0 N--CA 1.45 -0.434 0 O-C-N 124.284 0.99 . . . . 0.0 112.402 -179.074 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -146.07 157.96 43.86 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.288 0.993 . . . . 0.0 109.968 178.767 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 2.1 mtpp -116.3 163.04 16.6 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.546 1.154 . . . . 0.0 110.953 -178.951 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 22' ' ' MET . . . . . . . . . . . . . 1.6 mmm -170.93 -72.18 0.02 OUTLIER 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 114.737 -1.119 . . . . 0.0 110.442 179.934 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 1.8 t -122.83 -42.12 1.59 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.591 1.182 . . . . 0.0 108.99 179.184 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -105.82 166.48 14.17 Favored Glycine 0 CA--C 1.532 1.153 0 O-C-N 124.371 1.044 . . . . 0.0 111.778 -179.423 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 25' ' ' PRO . . . . . 0.701 ' CD ' ' CHA' ' A' ' 83' ' ' HEM . 73.5 Cg_endo -72.76 122.08 7.9 Favored 'Trans proline' 0 C--N 1.36 1.16 0 C-N-CA 122.291 1.994 . . . . 0.0 113.569 -179.12 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -56.2 137.27 52.19 Favored 'General case' 0 C--N 1.325 -0.462 0 N-CA-C 106.959 -1.497 . . . . 0.0 106.959 176.977 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 27' ' ' TYR . . . . . 0.618 ' CZ ' ' CZ3' ' A' ' 77' ' ' TRP . 10.0 m-85 -64.13 -16.31 61.58 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.635 1.209 . . . . 0.0 113.233 -178.184 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 43.1 tttt -84.48 -27.81 27.2 Favored 'General case' 0 C--N 1.326 -0.416 0 O-C-N 124.381 1.051 . . . . 0.0 111.734 -179.04 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 2.4 p30 -79.91 -33.6 39.68 Favored 'General case' 0 C--N 1.326 -0.417 0 O-C-N 124.699 1.249 . . . . 0.0 108.253 179.022 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 2.1 t -67.53 -35.46 73.26 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 N-CA-C 107.533 -1.284 . . . . 0.0 107.533 178.196 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -74.94 -23.19 58.28 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 114.256 -1.338 . . . . 0.0 109.137 179.396 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -102.13 17.72 22.61 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.376 1.048 . . . . 0.0 110.771 -179.783 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 1.9 mmtt -129.28 -76.58 0.55 Allowed 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.43 1.082 . . . . 0.0 108.537 179.306 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -51.26 -44.43 61.76 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.835 1.335 . . . . 0.0 109.359 178.476 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . 51.61 64.25 1.92 Allowed 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 114.53 -1.213 . . . . 0.0 110.605 178.736 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 48.01 31.29 8.0 Favored Glycine 0 CA--C 1.529 0.923 0 O-C-N 124.544 1.152 . . . . 0.0 111.353 179.512 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -54.23 -58.13 8.53 Favored 'General case' 0 C--N 1.327 -0.41 0 O-C-N 124.483 0.754 . . . . 0.0 109.785 -179.953 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . 65.17 162.14 0.13 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.463 1.102 . . . . 0.0 111.051 178.977 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 117.1 -2.77 19.11 Favored Glycine 0 CA--C 1.529 0.956 0 CA-C-N 114.71 -1.132 . . . . 0.0 112.362 179.578 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -144.51 9.9 1.41 Allowed 'General case' 0 N--CA 1.451 -0.407 0 O-C-N 124.378 0.693 . . . . 0.0 112.21 -179.38 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -50.97 -16.7 0.47 Allowed 'General case' 0 C--N 1.323 -0.568 0 N-CA-C 113.55 0.944 . . . . 0.0 113.55 -179.308 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -75.49 -57.62 3.78 Favored 'General case' 0 C--N 1.323 -0.562 0 O-C-N 124.377 1.048 . . . . 0.0 109.371 -179.887 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 9.9 pm0 -81.04 4.1 20.9 Favored 'General case' 0 CA--C 1.536 0.404 0 O-C-N 124.437 1.085 . . . . 0.0 110.891 178.788 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 1.1 tm? -92.98 -33.25 14.22 Favored 'General case' 0 C--N 1.324 -0.532 0 N-CA-C 106.458 -1.682 . . . . 0.0 106.458 177.187 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -78.09 -24.78 47.47 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 113.869 -1.514 . . . . 0.0 108.114 177.808 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 46' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -77.08 -24.31 51.85 Favored 'General case' 0 CA--C 1.537 0.458 0 CA-C-N 114.231 -1.35 . . . . 0.0 109.248 179.881 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 2.3 mmt180 -71.42 -34.46 70.34 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 125.32 1.638 . . . . 0.0 108.695 177.828 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 1.6 mt -64.2 -26.42 40.38 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.913 1.383 . . . . 0.0 110.418 179.521 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -118.36 7.8 12.05 Favored 'General case' 0 N--CA 1.448 -0.533 0 O-C-N 124.189 0.93 . . . . 0.0 113.364 -177.881 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 3.2 t-20 -135.36 -3.87 2.38 Favored 'General case' 0 N--CA 1.45 -0.448 0 O-C-N 124.358 1.036 . . . . 0.0 112.515 -179.376 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 77.1 151.63 4.43 Favored Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.095 0.872 . . . . 0.0 111.303 179.797 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -89.77 -148.6 0.19 Allowed 'General case' 0 C--N 1.324 -0.53 0 O-C-N 124.448 0.734 . . . . 0.0 109.628 179.926 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 44.9 mt-30 -135.93 -45.45 0.65 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.369 1.043 . . . . 0.0 110.365 -179.954 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 150.06 75.68 0.02 OUTLIER Glycine 0 CA--C 1.531 1.032 0 O-C-N 124.423 1.077 . . . . 0.0 110.75 -179.799 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 63.6 t -87.16 -49.33 14.85 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.513 0.772 . . . . 0.0 110.063 -179.59 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 56' ' ' TRP . . . . . . . . . . . . . 6.9 m95 -87.91 -25.78 23.05 Favored 'General case' 0 C--N 1.326 -0.42 0 O-C-N 124.491 1.12 . . . . 0.0 108.969 -179.525 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 57' ' ' GLY . . . . . 0.436 ' N ' ' CD ' ' A' ' 58' ' ' PRO . . . 135.25 -53.6 0.77 Allowed Glycine 0 CA--C 1.529 0.944 0 O-C-N 124.447 1.092 . . . . 0.0 112.718 179.695 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 58' ' ' PRO . . . . . 0.436 ' CD ' ' N ' ' A' ' 57' ' ' GLY . 33.9 Cg_exo -45.15 153.73 0.49 Allowed 'Trans proline' 0 C--N 1.359 1.124 0 O-C-N 124.48 1.779 . . . . 0.0 112.212 -178.722 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 59' ' ' ILE . . . . . . . . . . . . . 0.9 OUTLIER -50.93 138.54 24.25 Favored Pre-proline 0 C--N 1.327 -0.407 0 O-C-N 124.469 1.106 . . . . 0.0 109.515 -179.885 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 60' ' ' PRO . . . . . . . . . . . . . 6.8 Cg_exo -42.64 148.97 0.39 Allowed 'Trans proline' 0 C--N 1.359 1.114 0 O-C-N 124.595 1.84 . . . . 0.0 112.459 -179.396 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 61' ' ' MET . . . . . . . . . . . . . 5.9 ttp -64.27 139.07 97.61 Favored Pre-proline 0 C--N 1.327 -0.393 0 CA-C-N 114.905 -1.043 . . . . 0.0 111.554 -179.91 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 62' ' ' PRO . . . . . . . . . . . . . 2.1 Cg_endo -49.79 131.27 28.87 Favored 'Trans proline' 0 C--N 1.361 1.218 0 O-C-N 124.669 1.879 . . . . 0.0 110.53 179.336 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 63' ' ' PRO . . . . . . . . . . . . . 28.5 Cg_endo -76.8 164.22 30.34 Favored 'Trans proline' 0 C--N 1.359 1.1 0 O-C-N 124.334 1.702 . . . . 0.0 111.813 -179.64 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 64' ' ' ASN . . . . . 0.414 ' ND2' ' N ' ' A' ' 65' ' ' ALA . 4.3 p-10 44.07 -149.17 0.06 Allowed 'General case' 0 C--N 1.326 -0.421 0 O-C-N 124.865 1.353 . . . . 0.0 110.57 179.673 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 65' ' ' ALA . . . . . 0.414 ' N ' ' ND2' ' A' ' 64' ' ' ASN . . . 79.95 18.83 0.66 Allowed 'General case' 0 C--N 1.326 -0.436 0 O-C-N 123.966 0.791 . . . . 0.0 110.4 -179.105 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -163.48 -170.12 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.374 1.047 . . . . 0.0 109.587 178.81 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 12.5 p -145.9 165.12 29.86 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 114.605 -1.18 . . . . 0.0 109.499 179.827 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 40.3 t0 -61.21 145.61 50.57 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.547 1.154 . . . . 0.0 108.898 179.775 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER 85.58 -34.82 0.05 OUTLIER 'General case' 0 C--N 1.323 -0.575 0 O-C-N 124.646 1.216 . . . . 0.0 110.142 -179.071 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 26.8 mm-40 -79.54 -31.38 42.06 Favored 'General case' 0 C--N 1.323 -0.558 0 O-C-N 124.609 1.193 . . . . 0.0 108.519 178.685 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -87.77 -33.36 18.69 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.878 1.361 . . . . 0.0 108.077 178.455 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 5.2 tt0 -58.81 -42.28 88.75 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.719 1.262 . . . . 0.0 111.244 179.988 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -69.75 -41.58 75.02 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.344 1.027 . . . . 0.0 110.419 -179.816 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 2.9 mm? -71.75 -19.37 62.04 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.569 1.168 . . . . 0.0 110.669 -179.355 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -83.68 -20.11 34.12 Favored 'General case' 0 C--N 1.326 -0.43 0 O-C-N 124.161 0.913 . . . . 0.0 110.218 -179.789 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 28.4 ttmt -83.51 -21.01 32.91 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.55 1.156 . . . . 0.0 109.875 -179.557 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 77' ' ' TRP . . . . . 0.618 ' CZ3' ' CZ ' ' A' ' 27' ' ' TYR . 35.3 t90 -87.9 -40.18 14.17 Favored 'General case' 0 C--N 1.324 -0.526 0 N-CA-C 106.719 -1.585 . . . . 0.0 106.719 178.986 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 1.2 t -57.82 -50.38 77.88 Favored 'Isoleucine or valine' 0 CA--C 1.544 0.742 0 N-CA-C 105.553 -2.017 . . . . 0.0 105.553 176.299 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -65.6 -82.01 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 113.592 -1.64 . . . . 0.0 108.311 179.007 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -57.7 99.58 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.762 1.289 . . . . 0.0 109.463 179.649 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 81' ' ' GLN . . . . . . . . . . . . . 11.8 pt20 -66.8 -157.79 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.579 1.175 . . . . 0.0 110.454 -179.718 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.327 -0.413 0 O-C-N 124.369 1.043 . . . . 0.0 109.262 179.914 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 83' ' ' HEM . . . . . 0.701 ' CHA' ' CD ' ' A' ' 25' ' ' PRO . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 1' ' ' GLU . . . . . . . . . . . . . 4.2 pt-20 . . . . . 0 N--CA 1.453 -0.32 0 N-CA-C 110.323 -0.251 . . . . 0.0 110.323 . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 29.6 m-20 -136.85 160.36 66.61 Favored Pre-proline 0 C--N 1.325 -0.478 0 O-C-N 124.495 1.122 . . . . 0.0 109.209 -179.96 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 3' ' ' PRO . . . . . . . . . . . . . 19.1 Cg_endo -77.07 -18.86 14.16 Favored 'Trans proline' 0 C--N 1.36 1.165 0 O-C-N 124.47 1.773 . . . . 0.0 111.266 179.785 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 11.9 mt-10 -81.59 -23.93 36.78 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.548 1.155 . . . . 0.0 109.866 179.613 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 73.5 t -87.51 -28.61 5.6 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.57 1.169 . . . . 0.0 108.813 179.455 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -82.52 -32.42 28.69 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.654 1.221 . . . . 0.0 108.811 179.528 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 7' ' ' PHE . . . . . 0.524 ' CD1' ' CB ' ' A' ' 12' ' ' CYS . 2.7 t80 -67.02 -27.17 67.19 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.717 1.26 . . . . 0.0 110.703 179.94 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -89.83 -21.94 22.33 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.465 1.103 . . . . 0.0 109.872 179.93 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 8.4 t30 -116.03 59.89 0.72 Allowed 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.508 1.13 . . . . 0.0 109.252 -179.885 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 1.3 tptp -155.46 -44.4 0.08 Allowed 'General case' 0 C--N 1.327 -0.375 0 O-C-N 124.359 1.037 . . . . 0.0 110.367 -179.838 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 136.35 -6.73 3.96 Favored Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.343 1.027 . . . . 0.0 111.921 -179.634 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 12' ' ' CYS . . . . . 0.524 ' CB ' ' CD1' ' A' ' 7' ' ' PHE . 57.5 m -57.3 -60.8 3.09 Favored 'General case' 0 N--CA 1.448 -0.544 0 O-C-N 124.098 0.528 . . . . 0.0 109.92 -179.772 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 0.4 OUTLIER -61.82 -5.14 1.09 Allowed 'Isoleucine or valine' 0 CA--C 1.536 0.435 0 N-CA-C 114.503 1.298 . . . . 0.0 114.503 -176.39 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -52.4 -28.39 19.55 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 125.869 1.98 . . . . 0.0 108.064 179.412 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 1.6 p -156.29 16.03 0.33 Allowed 'General case' 0 C--O 1.238 0.448 0 O-C-N 124.984 1.428 . . . . 0.0 112.161 -179.297 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 2.1 m-70 -98.83 -73.29 0.63 Allowed 'General case' 0 C--N 1.326 -0.456 0 N-CA-C 114.111 1.152 . . . . 0.0 114.111 -178.559 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . 70.14 157.73 0.17 Allowed 'General case' 0 CA--C 1.538 0.507 0 N-CA-C 107.247 -1.39 . . . . 0.0 107.247 -175.758 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 0.8 OUTLIER -92.17 -57.03 4.6 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.373 0 O-C-N 124.47 1.106 . . . . 0.0 111.254 -178.652 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 6.2 p-10 -98.86 16.72 21.44 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 115.166 -0.925 . . . . 0.0 111.282 -179.138 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -130.95 158.8 39.28 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.477 1.11 . . . . 0.0 110.288 179.567 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 15.4 mttt -119.06 165.44 14.13 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.511 1.132 . . . . 0.0 109.579 -179.611 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 22' ' ' MET . . . . . . . . . . . . . 1.5 tpp -175.0 -93.72 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.399 1.062 . . . . 0.0 110.602 179.689 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 8.3 t -97.13 -45.83 12.76 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.445 0 N-CA-C 107.817 -1.179 . . . . 0.0 107.817 178.342 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -102.89 172.44 21.72 Favored Glycine 0 CA--C 1.532 1.152 0 O-C-N 124.731 1.269 . . . . 0.0 110.962 179.683 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 25' ' ' PRO . . . . . 0.649 ' CD ' ' CHA' ' A' ' 83' ' ' HEM . 61.9 Cg_endo -73.71 152.44 47.67 Favored 'Trans proline' 0 C--N 1.359 1.099 0 O-C-N 124.369 1.72 . . . . 0.0 112.592 -178.886 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -75.42 128.01 34.4 Favored 'General case' 0 C--N 1.325 -0.495 0 N-CA-C 106.512 -1.662 . . . . 0.0 106.512 176.852 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 27' ' ' TYR . . . . . 0.613 ' CE2' ' CZ3' ' A' ' 77' ' ' TRP . 9.1 m-85 -55.14 -27.68 47.26 Favored 'General case' 0 C--N 1.323 -0.566 0 O-C-N 124.759 1.287 . . . . 0.0 111.222 -178.217 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -68.82 -45.03 72.24 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.598 1.186 . . . . 0.0 109.447 179.876 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 7.1 m-20 -62.25 -36.65 82.67 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.825 1.328 . . . . 0.0 110.328 -179.752 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 64.6 t -72.97 -31.23 34.85 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 N-CA-C 107.155 -1.424 . . . . 0.0 107.155 178.41 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -91.5 17.35 8.77 Favored 'General case' 0 CA--C 1.534 0.363 0 CA-C-N 114.28 -1.327 . . . . 0.0 109.357 178.542 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -137.37 10.71 2.99 Favored 'General case' 0 CA--C 1.538 0.497 0 CA-C-N 115.208 -0.905 . . . . 0.0 110.159 178.791 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -139.12 -57.45 0.6 Allowed 'General case' 0 C--N 1.323 -0.551 0 O-C-N 124.66 1.225 . . . . 0.0 108.827 179.058 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 9.5 m-85 -87.95 -5.27 58.62 Favored 'General case' 0 C--N 1.326 -0.421 0 O-C-N 124.316 1.01 . . . . 0.0 112.656 -179.962 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -72.84 147.26 45.59 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.386 1.054 . . . . 0.0 109.206 179.979 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 92.61 -29.8 7.51 Favored Glycine 0 CA--C 1.532 1.123 0 N-CA-C 110.165 -1.174 . . . . 0.0 110.165 -179.165 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 8.1 pt20 -105.56 140.74 38.19 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.538 0.787 . . . . 0.0 109.445 179.091 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -148.9 107.13 3.74 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.536 1.147 . . . . 0.0 109.796 -179.622 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . -144.96 25.26 1.92 Allowed Glycine 0 CA--C 1.531 1.039 0 O-C-N 124.536 1.148 . . . . 0.0 111.488 179.863 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 40' ' ' ALA . . . . . 0.406 ' C ' ' CG ' ' A' ' 41' ' ' GLU . . . -148.37 -94.55 0.08 Allowed 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.564 0.802 . . . . 0.0 109.783 179.868 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 41' ' ' GLU . . . . . 0.406 ' CG ' ' C ' ' A' ' 40' ' ' ALA . 0.0 OUTLIER 49.0 23.17 0.67 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.106 0.879 . . . . 0.0 110.646 -179.527 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -134.74 -57.03 0.83 Allowed 'General case' 0 CA--C 1.541 0.619 0 N-CA-C 105.918 -1.882 . . . . 0.0 105.918 177.707 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 3.1 tt0 -84.26 2.84 38.2 Favored 'General case' 0 CA--C 1.543 0.679 0 O-C-N 125.454 1.721 . . . . 0.0 109.562 175.085 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -90.77 -36.1 14.48 Favored 'General case' 0 C--N 1.323 -0.558 0 N-CA-C 106.816 -1.55 . . . . 0.0 106.816 177.711 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -73.56 -25.91 60.59 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 114.218 -1.355 . . . . 0.0 108.825 178.368 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 46' ' ' GLN . . . . . 0.413 ' O ' ' CB ' ' A' ' 50' ' ' ASN . 47.3 mm-40 -77.1 -24.83 51.74 Favored 'General case' 0 CA--C 1.537 0.458 0 CA-C-N 114.318 -1.31 . . . . 0.0 109.257 179.94 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -71.66 -37.56 70.78 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 125.461 1.726 . . . . 0.0 108.772 177.846 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 68.1 mt -55.66 -33.85 34.51 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 125.26 1.6 . . . . 0.0 110.146 179.478 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 9.5 mmtt -117.59 7.51 12.64 Favored 'General case' 0 N--CA 1.449 -0.495 0 N-CA-C 114.569 1.322 . . . . 0.0 114.569 -177.22 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 50' ' ' ASN . . . . . 0.413 ' CB ' ' O ' ' A' ' 46' ' ' GLN . 57.7 t30 -126.01 -5.38 6.79 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 123.988 0.805 . . . . 0.0 111.011 179.58 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 83.44 136.17 2.81 Favored Glycine 0 CA--C 1.529 0.946 0 O-C-N 124.292 0.995 . . . . 0.0 111.512 179.547 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -87.25 -9.71 54.35 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.36 0.682 . . . . 0.0 111.29 179.877 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER 86.34 -39.73 0.04 OUTLIER 'General case' 0 C--N 1.324 -0.542 0 O-C-N 124.399 1.062 . . . . 0.0 111.911 179.608 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 135.68 96.78 0.5 Allowed Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.385 1.053 . . . . 0.0 111.051 -179.838 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 75.3 t -110.6 -31.1 2.28 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.5 0 O-C-N 124.538 0.787 . . . . 0.0 109.856 -179.801 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 56' ' ' TRP . . . . . . . . . . . . . 5.8 m95 -102.45 -41.66 6.23 Favored 'General case' 0 C--N 1.326 -0.425 0 O-C-N 124.373 1.046 . . . . 0.0 108.552 -179.822 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -144.16 174.19 24.57 Favored Glycine 0 CA--C 1.53 0.979 0 O-C-N 124.392 1.058 . . . . 0.0 110.986 -179.842 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 58' ' ' PRO . . . . . . . . . . . . . 28.5 Cg_endo -82.93 78.74 3.2 Favored 'Trans proline' 0 C--N 1.358 1.052 0 O-C-N 124.378 1.725 . . . . 0.0 111.19 -179.661 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 59' ' ' ILE . . . . . . . . . . . . . 1.2 tt -172.33 113.26 0.38 Allowed Pre-proline 0 C--N 1.325 -0.487 0 O-C-N 124.411 1.069 . . . . 0.0 109.181 179.855 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 60' ' ' PRO . . . . . . . . . . . . . 29.7 Cg_endo -80.02 115.49 3.28 Favored 'Trans proline' 0 C--N 1.359 1.109 0 O-C-N 124.388 1.73 . . . . 0.0 112.333 -179.144 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 61' ' ' MET . . . . . . . . . . . . . 5.5 ttp -43.7 138.38 3.05 Favored Pre-proline 0 C--N 1.325 -0.481 0 O-C-N 124.483 1.114 . . . . 0.0 112.132 179.669 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 62' ' ' PRO . . . . . . . . . . . . . 23.3 Cg_exo -45.37 105.75 0.08 OUTLIER 'Trans proline' 0 C--N 1.361 1.237 0 O-C-N 124.526 1.803 . . . . 0.0 111.672 179.805 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 63' ' ' PRO . . . . . . . . . . . . . 38.2 Cg_endo -81.97 93.27 0.94 Allowed 'Trans proline' 0 C--N 1.359 1.089 0 O-C-N 124.291 1.679 . . . . 0.0 111.136 -179.72 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 41.6 t30 -135.71 86.86 2.27 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.177 0.923 . . . . 0.0 109.651 179.958 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -41.35 138.45 1.23 Allowed 'General case' 0 N--CA 1.449 -0.507 0 O-C-N 124.505 1.128 . . . . 0.0 112.882 -179.232 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 2.3 t -117.66 -71.52 0.72 Allowed 'Isoleucine or valine' 0 CA--C 1.536 0.416 0 CA-C-N 114.882 -1.054 . . . . 0.0 108.397 178.998 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 89.6 p -175.88 -138.14 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.741 1.276 . . . . 0.0 109.459 -179.773 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 6.8 m-20 -144.27 44.0 1.42 Allowed 'General case' 0 C--N 1.324 -0.539 0 O-C-N 124.13 0.893 . . . . 0.0 109.214 179.559 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -149.55 -66.02 0.22 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.719 1.262 . . . . 0.0 110.059 179.924 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 2.1 mt-10 -56.66 -36.61 69.76 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.539 1.149 . . . . 0.0 108.706 179.63 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -80.02 -32.03 39.58 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-N 114.144 -1.389 . . . . 0.0 108.909 178.97 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -65.09 -16.81 63.88 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.555 1.159 . . . . 0.0 111.581 -179.694 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 3.0 m -84.32 -45.27 12.97 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.265 0.978 . . . . 0.0 111.104 -179.653 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -81.74 -8.07 59.66 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.464 1.102 . . . . 0.0 111.329 -179.316 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -85.19 -34.74 21.99 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.201 0.938 . . . . 0.0 109.809 -179.871 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 4.5 ptmt -82.05 -15.85 52.12 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.553 1.158 . . . . 0.0 110.345 -179.47 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 77' ' ' TRP . . . . . 0.613 ' CZ3' ' CE2' ' A' ' 27' ' ' TYR . 38.6 t90 -88.31 -34.53 17.63 Favored 'General case' 0 C--N 1.324 -0.521 0 N-CA-C 106.931 -1.507 . . . . 0.0 106.931 179.038 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 78' ' ' VAL . . . . . 0.449 ' CG1' ' N ' ' A' ' 79' ' ' LEU . 0.8 OUTLIER -64.79 -53.78 37.83 Favored 'Isoleucine or valine' 0 CA--C 1.543 0.689 0 N-CA-C 106.246 -1.761 . . . . 0.0 106.246 176.964 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 79' ' ' LEU . . . . . 0.449 ' N ' ' CG1' ' A' ' 78' ' ' VAL . 9.4 tp -60.95 -64.38 0.97 Allowed 'General case' 0 N--CA 1.453 -0.311 0 CA-C-N 113.625 -1.625 . . . . 0.0 110.239 -178.624 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -107.41 117.0 32.95 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.393 1.058 . . . . 0.0 109.973 -179.782 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 81' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -51.27 -49.65 60.78 Favored 'General case' 0 C--N 1.327 -0.401 0 O-C-N 124.38 1.05 . . . . 0.0 110.146 -179.912 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 1.5 ptpp? . . . . . 0 C--N 1.326 -0.444 0 O-C-N 124.424 1.078 . . . . 0.0 109.187 179.527 . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 83' ' ' HEM . . . . . 0.649 ' CHA' ' CD ' ' A' ' 25' ' ' PRO . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 . . . . . 0 N--CA 1.453 -0.305 0 N-CA-C 109.118 -0.697 . . . . 0.0 109.118 . . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 3' ' ' PRO . . . . . 0.52 ' HG2' ' CD1' ' A' ' 77' ' ' TRP . 16.6 Cg_endo -77.42 -14.72 16.12 Favored 'Trans proline' 0 C--N 1.359 1.101 0 O-C-N 124.571 1.827 . . . . 0.0 111.947 -179.354 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 4' ' ' GLU . . . . . 0.509 ' HB3' ' CZ2' ' A' ' 77' ' ' TRP . 9.2 pt-20 -80.8 -28.16 36.37 Favored 'General case' 0 C--N 1.323 -0.555 0 O-C-N 124.707 1.254 . . . . 0.0 108.925 179.026 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 43.0 t -83.63 -29.18 7.6 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.435 0 CA-C-N 114.284 -1.325 . . . . 0.0 108.194 178.662 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 11.0 mt -81.87 -27.7 33.35 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.73 1.269 . . . . 0.0 108.833 179.328 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 7' ' ' PHE . . . . . 0.712 ' CZ ' HG23 ' A' ' 13' ' ' VAL . 0.5 OUTLIER -69.65 -23.47 63.48 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.809 1.318 . . . . 0.0 110.283 179.54 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -105.03 0.43 27.62 Favored 'General case' 0 N--CA 1.45 -0.432 0 O-C-N 124.317 1.01 . . . . 0.0 111.689 -179.628 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 0.0 OUTLIER -94.38 -8.79 37.74 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.22 0.95 . . . . 0.0 112.031 -178.619 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -109.41 -91.75 0.44 Allowed 'General case' 0 C--N 1.323 -0.58 0 O-C-N 124.234 0.959 . . . . 0.0 108.945 -179.835 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -169.75 26.81 0.11 Allowed Glycine 0 CA--C 1.528 0.85 0 O-C-N 124.481 1.113 . . . . 0.0 112.103 179.868 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 12' ' ' CYS . . . . . 0.602 ' HB2' ' CD1' ' A' ' 7' ' ' PHE . 11.4 m -66.9 -50.4 62.56 Favored 'General case' 0 N--CA 1.449 -0.509 0 N-CA-C 108.615 -0.883 . . . . 0.0 108.615 179.864 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 13' ' ' VAL . . . . . 0.712 HG23 ' CZ ' ' A' ' 7' ' ' PHE . 0.4 OUTLIER -62.43 -4.92 1.18 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.718 1.261 . . . . 0.0 113.823 -177.523 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -52.82 -28.74 24.03 Favored 'General case' 0 C--N 1.324 -0.535 0 O-C-N 125.501 1.75 . . . . 0.0 107.934 178.277 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 1.8 p -163.13 20.29 0.08 Allowed 'General case' 0 C--O 1.238 0.49 0 O-C-N 124.927 1.392 . . . . 0.0 112.594 -179.504 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 16' ' ' HIS . . . . . 0.618 ' CE1' ' HD2' ' A' ' 25' ' ' PRO . 3.7 m-70 -100.33 -69.0 0.79 Allowed 'General case' 0 N--CA 1.451 -0.41 0 N-CA-C 113.486 0.921 . . . . 0.0 113.486 -179.032 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 17' ' ' ALA . . . . . 0.847 ' C ' HD13 ' A' ' 18' ' ' ILE . . . 70.24 151.73 0.1 Allowed 'General case' 0 CA--C 1.539 0.527 0 N-CA-C 108.504 -0.924 . . . . 0.0 108.504 -177.702 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 18' ' ' ILE . . . . . 0.847 HD13 ' C ' ' A' ' 17' ' ' ALA . 2.6 mm -99.39 33.8 0.29 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 N-CA-C 107.121 -1.437 . . . . 0.0 107.121 -179.656 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 19' ' ' ASP . . . . . 0.403 ' HB3' ' NZ ' ' A' ' 28' ' ' LYS . 0.0 OUTLIER 174.51 9.83 0.0 OUTLIER 'General case' 0 C--O 1.243 0.755 0 N-CA-C 116.819 2.155 . . . . 0.0 116.819 178.976 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -142.22 163.64 32.31 Favored 'General case' 0 C--N 1.323 -0.572 0 CA-C-N 118.522 0.601 . . . . 0.0 111.304 178.945 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 21' ' ' LYS . . . . . 0.405 ' NZ ' ' HB3' ' A' ' 56' ' ' TRP . 23.5 tttt -113.19 149.6 33.46 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.517 1.136 . . . . 0.0 110.174 -179.525 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 22' ' ' MET . . . . . 0.5 ' CG ' HG23 ' A' ' 23' ' ' VAL . 0.8 OUTLIER -157.55 -85.2 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.484 0 CA-C-N 114.711 -1.131 . . . . 0.0 109.715 179.562 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 23' ' ' VAL . . . . . 0.5 HG23 ' CG ' ' A' ' 22' ' ' MET . 17.4 t -108.97 -50.61 7.05 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.513 0 N-CA-C 107.471 -1.307 . . . . 0.0 107.471 177.862 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -95.73 168.27 26.27 Favored Glycine 0 CA--C 1.536 1.344 0 N-CA-C 110.016 -1.234 . . . . 0.0 110.016 178.593 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 25' ' ' PRO . . . . . 0.618 ' HD2' ' CE1' ' A' ' 16' ' ' HIS . 73.8 Cg_endo -71.69 143.03 40.99 Favored 'Trans proline' 0 C--N 1.358 1.043 0 C-N-CA 122.156 1.904 . . . . 0.0 112.111 -179.23 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 26' ' ' ALA . . . . . 0.71 ' HB3' ' HB2' ' A' ' 29' ' ' ASP . . . -68.04 126.44 29.48 Favored 'General case' 0 CA--C 1.544 0.717 0 N-CA-C 105.276 -2.12 . . . . 0.0 105.276 175.2 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 27' ' ' TYR . . . . . 0.593 ' HB2' HD12 ' A' ' 18' ' ' ILE . 10.9 m-85 -58.3 -41.46 84.49 Favored 'General case' 0 C--N 1.321 -0.64 0 O-C-N 125.524 1.765 . . . . 0.0 109.333 -179.309 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 28' ' ' LYS . . . . . 0.403 ' NZ ' ' HB3' ' A' ' 19' ' ' ASP . 1.7 ttpm? -67.04 -30.06 70.03 Favored 'General case' 0 CA--C 1.536 0.438 0 O-C-N 125.292 1.62 . . . . 0.0 109.813 179.901 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 29' ' ' ASP . . . . . 0.71 ' HB2' ' HB3' ' A' ' 26' ' ' ALA . 11.7 m-20 -71.9 -32.63 67.6 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.817 1.323 . . . . 0.0 109.111 179.652 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 30' ' ' VAL . . . . . 0.446 HG11 ' HB ' ' A' ' 78' ' ' VAL . 3.8 t -64.01 -33.5 62.62 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.52 0 N-CA-C 107.151 -1.426 . . . . 0.0 107.151 178.713 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 31' ' ' ALA . . . . . 0.56 ' O ' ' HB2' ' A' ' 35' ' ' ALA . . . -72.29 -30.77 65.13 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 114.205 -1.361 . . . . 0.0 108.974 179.055 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -90.78 14.22 14.15 Favored 'General case' 0 C--N 1.328 -0.354 0 O-C-N 124.555 1.159 . . . . 0.0 111.386 -179.256 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 33' ' ' LYS . . . . . 0.553 ' HG3' ' CH2' ' A' ' 56' ' ' TRP . 0.1 OUTLIER -124.49 -78.8 0.6 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.466 1.104 . . . . 0.0 108.547 178.777 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 0.5 OUTLIER -49.17 -65.63 0.53 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.749 1.281 . . . . 0.0 109.503 178.745 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 35' ' ' ALA . . . . . 0.56 ' HB2' ' O ' ' A' ' 31' ' ' ALA . . . 37.18 86.98 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.508 0 N-CA-C 114.22 1.192 . . . . 0.0 114.22 177.688 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 86.7 37.04 8.87 Favored Glycine 0 CA--C 1.53 0.974 0 O-C-N 124.038 0.837 . . . . 0.0 111.416 178.891 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -135.09 79.98 1.82 Allowed 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.631 0.842 . . . . 0.0 110.052 179.964 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -111.54 90.45 3.34 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 114.835 -1.075 . . . . 0.0 109.679 -179.66 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . -135.37 10.99 4.38 Favored Glycine 0 CA--C 1.529 0.918 0 O-C-N 124.515 1.134 . . . . 0.0 111.809 179.587 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -131.2 -105.14 0.27 Allowed 'General case' 0 C--N 1.325 -0.466 0 N-CA-C 108.611 -0.885 . . . . 0.0 108.611 179.712 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 4.2 tt0 84.98 -35.57 0.05 Allowed 'General case' 0 C--N 1.323 -0.586 0 O-C-N 124.319 1.012 . . . . 0.0 111.247 -179.866 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -86.81 -44.96 11.33 Favored 'General case' 0 C--N 1.324 -0.539 0 O-C-N 124.397 1.061 . . . . 0.0 108.436 179.284 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 8.6 tt0 -87.05 -4.84 59.19 Favored 'General case' 0 CA--C 1.541 0.606 0 O-C-N 125.111 1.507 . . . . 0.0 110.96 179.053 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 44' ' ' LEU . . . . . 0.462 HD12 ' HG ' ' A' ' 79' ' ' LEU . 0.2 OUTLIER -87.97 -33.92 18.25 Favored 'General case' 0 C--N 1.322 -0.604 0 N-CA-C 106.368 -1.715 . . . . 0.0 106.368 176.856 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -78.88 -24.32 44.29 Favored 'General case' 0 CA--C 1.54 0.563 0 CA-C-N 114.101 -1.408 . . . . 0.0 107.308 176.346 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 46' ' ' GLN . . . . . . . . . . . . . 29.4 tp60 -71.41 -21.76 61.95 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 114.06 -1.427 . . . . 0.0 109.44 179.653 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 47' ' ' ARG . . . . . 0.464 ' CG ' ' HA ' ' A' ' 52' ' ' SER . 5.5 mpt_? -76.39 -35.37 58.65 Favored 'General case' 0 CA--C 1.539 0.531 0 O-C-N 125.209 1.568 . . . . 0.0 107.994 177.417 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 14.9 mt -70.82 -8.37 10.88 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.397 0 O-C-N 125.173 1.546 . . . . 0.0 110.283 178.701 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 1.3 tttt -129.83 3.05 4.9 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.293 0.996 . . . . 0.0 112.038 -178.946 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 50' ' ' ASN . . . . . 0.454 ' HA ' ' HB3' ' A' ' 63' ' ' PRO . 10.6 t-20 -144.98 7.47 1.2 Allowed 'General case' 0 N--CA 1.451 -0.409 0 O-C-N 124.157 0.911 . . . . 0.0 112.31 -179.225 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 80.27 152.0 7.64 Favored Glycine 0 CA--C 1.531 1.043 0 O-C-N 124.115 0.885 . . . . 0.0 111.311 179.536 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 52' ' ' SER . . . . . 0.464 ' HA ' ' CG ' ' A' ' 47' ' ' ARG . 0.3 OUTLIER -72.77 -165.56 0.22 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.536 0.786 . . . . 0.0 110.086 179.971 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 27.8 mm-40 -114.4 -30.97 6.4 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.583 1.177 . . . . 0.0 110.507 -179.778 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 118.47 97.05 1.8 Allowed Glycine 0 CA--C 1.531 1.05 0 O-C-N 124.39 1.056 . . . . 0.0 110.887 -179.916 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 18.0 t -128.22 -43.32 0.91 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.5 0.764 . . . . 0.0 109.96 -179.816 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 56' ' ' TRP . . . . . 0.553 ' CH2' ' HG3' ' A' ' 33' ' ' LYS . 0.0 OUTLIER -110.41 -30.92 7.47 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.452 1.095 . . . . 0.0 108.215 179.932 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -138.93 143.55 14.25 Favored Glycine 0 CA--C 1.53 0.988 0 O-C-N 124.483 1.115 . . . . 0.0 110.962 -179.934 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 58' ' ' PRO . . . . . . . . . . . . . 44.1 Cg_endo -83.08 15.06 2.18 Favored 'Trans proline' 0 C--N 1.36 1.148 0 O-C-N 124.333 1.702 . . . . 0.0 112.555 -179.508 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 59' ' ' ILE . . . . . . . . . . . . . 0.5 OUTLIER -119.05 95.84 49.67 Favored Pre-proline 0 C--N 1.325 -0.474 0 O-C-N 124.288 0.993 . . . . 0.0 109.782 -179.704 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 60' ' ' PRO . . . . . . . . . . . . . 1.6 Cg_endo -52.93 148.51 29.31 Favored 'Trans proline' 0 C--N 1.363 1.307 0 O-C-N 124.487 1.783 . . . . 0.0 110.713 179.396 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 61' ' ' MET . . . . . . . . . . . . . 0.9 OUTLIER -78.01 140.19 61.92 Favored Pre-proline 0 C--N 1.325 -0.471 0 O-C-N 124.682 1.239 . . . . 0.0 112.041 -179.319 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 62' ' ' PRO . . . . . . . . . . . . . 34.5 Cg_exo -41.33 109.51 0.11 Allowed 'Trans proline' 0 C--N 1.362 1.276 0 O-C-N 124.603 1.844 . . . . 0.0 112.386 -178.757 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 63' ' ' PRO . . . . . 0.454 ' HB3' ' HA ' ' A' ' 50' ' ' ASN . 1.7 Cg_endo -68.18 154.48 72.25 Favored 'Trans proline' 0 C--N 1.362 1.254 0 O-C-N 124.367 1.72 . . . . 0.0 110.707 179.611 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 7.5 m120 72.35 134.91 0.04 OUTLIER 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.639 1.212 . . . . 0.0 109.494 -179.949 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -170.27 -42.54 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.472 0 CA-C-N 114.901 -1.045 . . . . 0.0 109.058 -179.985 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 66' ' ' VAL . . . . . 0.522 HG23 ' N ' ' A' ' 67' ' ' SER . 15.6 m -141.01 -146.73 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.423 0 O-C-N 124.457 1.098 . . . . 0.0 108.897 179.722 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 67' ' ' SER . . . . . 0.522 ' N ' HG23 ' A' ' 66' ' ' VAL . 30.8 t -98.84 -92.44 0.26 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.485 1.116 . . . . 0.0 110.004 -179.995 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 3.3 t0 -172.25 34.46 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.406 1.066 . . . . 0.0 109.253 179.984 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 21.7 t0 -130.77 -56.93 1.05 Allowed 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.524 1.14 . . . . 0.0 108.531 179.395 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 3.3 mm-40 -60.37 -23.38 64.25 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.767 1.292 . . . . 0.0 109.43 178.87 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -84.99 -42.13 15.19 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.652 1.22 . . . . 0.0 108.66 179.247 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 33.3 tt0 -50.81 -30.17 13.57 Favored 'General case' 0 C--N 1.326 -0.414 0 O-C-N 124.652 1.22 . . . . 0.0 110.654 179.902 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 2.9 m -72.83 -51.15 19.98 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.448 1.092 . . . . 0.0 110.502 179.997 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -74.16 -2.47 24.81 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.451 1.095 . . . . 0.0 110.558 179.651 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -90.32 -23.36 21.16 Favored 'General case' 0 C--N 1.324 -0.533 0 O-C-N 124.201 0.938 . . . . 0.0 110.34 -179.213 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 5.4 tptt -95.28 -17.77 21.39 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.201 0.938 . . . . 0.0 109.191 179.856 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 77' ' ' TRP . . . . . 0.52 ' CD1' ' HG2' ' A' ' 3' ' ' PRO . 28.2 t90 -72.14 -39.8 68.53 Favored 'General case' 0 C--N 1.324 -0.525 0 N-CA-C 107.161 -1.422 . . . . 0.0 107.161 179.017 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 78' ' ' VAL . . . . . 0.569 HG13 ' CE2' ' A' ' 27' ' ' TYR . 0.0 OUTLIER -59.76 -63.05 0.8 Allowed 'Isoleucine or valine' 0 CA--C 1.548 0.891 0 O-C-N 125.058 1.474 . . . . 0.0 107.228 178.929 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 79' ' ' LEU . . . . . 0.462 ' HG ' HD12 ' A' ' 44' ' ' LEU . 0.6 OUTLIER -56.08 -26.48 49.69 Favored 'General case' 0 N--CA 1.45 -0.445 0 CA-C-N 114.511 -1.222 . . . . 0.0 111.361 -179.505 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 5.0 m -118.56 62.05 0.78 Allowed 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.779 1.299 . . . . 0.0 111.486 -178.781 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 81' ' ' GLN . . . . . 0.499 ' CB ' ' HB2' ' A' ' 31' ' ' ALA . 0.0 OUTLIER -107.45 152.24 24.47 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.551 1.157 . . . . 0.0 109.266 178.693 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 C--N 1.325 -0.496 0 O-C-N 124.504 1.128 . . . . 0.0 109.333 -179.65 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 2' ' ' ASP . . . . . 0.475 ' N ' ' HD3' ' A' ' 3' ' ' PRO . 7.3 m-20 . . . . . 0 N--CA 1.455 -0.222 0 N-CA-C 108.953 -0.758 . . . . 0.0 108.953 . . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 3' ' ' PRO . . . . . 0.527 ' HB2' ' CG ' ' A' ' 77' ' ' TRP . 42.0 Cg_endo -82.81 -21.85 4.68 Favored 'Trans proline' 0 C--N 1.359 1.088 0 O-C-N 124.435 1.755 . . . . 0.0 110.007 -179.996 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 2.2 mt-10 -82.42 -24.15 34.51 Favored 'General case' 0 C--N 1.324 -0.538 0 O-C-N 124.831 1.332 . . . . 0.0 109.091 178.243 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 5' ' ' VAL . . . . . 0.458 ' HB ' ' HB3' ' A' ' 2' ' ' ASP . 2.2 t -85.12 -28.83 6.49 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.356 0 O-C-N 124.758 1.286 . . . . 0.0 108.39 178.798 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 6' ' ' LEU . . . . . 0.642 ' HB3' HD11 ' A' ' 74' ' ' LEU . 0.7 OUTLIER -81.84 -31.02 31.85 Favored 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.718 1.261 . . . . 0.0 108.339 178.912 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 7' ' ' PHE . . . . . 0.776 ' CZ ' HG23 ' A' ' 13' ' ' VAL . 11.1 t80 -66.34 -24.72 66.57 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.821 1.326 . . . . 0.0 111.484 -179.94 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -98.69 -9.08 25.14 Favored 'General case' 0 C--N 1.326 -0.429 0 O-C-N 124.568 1.168 . . . . 0.0 111.694 -178.881 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 25.3 t-20 -88.93 -63.79 1.24 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.114 0.883 . . . . 0.0 111.509 -178.905 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 2.5 mmpp? -47.32 -36.15 8.99 Favored 'General case' 0 C--N 1.326 -0.421 0 O-C-N 124.117 0.886 . . . . 0.0 111.702 -178.613 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 115.19 26.15 3.58 Favored Glycine 0 CA--C 1.53 0.974 0 O-C-N 124.344 1.028 . . . . 0.0 111.127 -179.853 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 12' ' ' CYS . . . . . 0.6 ' HB2' ' CD1' ' A' ' 7' ' ' PHE . 1.8 m -68.39 -48.56 64.37 Favored 'General case' 0 N--CA 1.447 -0.595 0 N-CA-C 108.255 -1.017 . . . . 0.0 108.255 179.965 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 13' ' ' VAL . . . . . 0.776 HG23 ' CZ ' ' A' ' 7' ' ' PHE . 0.3 OUTLIER -63.85 -6.22 2.36 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.983 1.427 . . . . 0.0 113.284 -177.687 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -52.76 -28.56 22.79 Favored 'General case' 0 CA--C 1.539 0.538 0 O-C-N 125.772 1.92 . . . . 0.0 108.031 179.295 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 5.9 p -157.44 17.71 0.27 Allowed 'General case' 0 N--CA 1.45 -0.448 0 O-C-N 124.904 1.377 . . . . 0.0 111.864 -179.328 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 16' ' ' HIS . . . . . 0.531 ' CD2' ' HD2' ' A' ' 25' ' ' PRO . 4.5 m80 -99.61 -172.62 2.28 Favored 'General case' 0 CA--C 1.54 0.565 0 O-C-N 123.804 0.69 . . . . 0.0 110.699 -179.97 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 17' ' ' ALA . . . . . 0.722 ' HB1' HG23 ' A' ' 20' ' ' THR . . . 179.09 156.23 0.49 Allowed 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 113.973 -1.467 . . . . 0.0 108.903 178.813 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 18' ' ' ILE . . . . . 0.594 HD12 ' N ' ' A' ' 19' ' ' ASP . 0.6 OUTLIER -95.28 -57.56 4.32 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.38 0 O-C-N 124.33 1.019 . . . . 0.0 111.789 -178.872 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 19' ' ' ASP . . . . . 0.594 ' N ' HD12 ' A' ' 18' ' ' ILE . 3.3 p-10 -100.49 5.52 44.14 Favored 'General case' 0 N--CA 1.45 -0.446 0 CA-C-N 115.463 -0.789 . . . . 0.0 113.053 -177.909 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 20' ' ' THR . . . . . 0.722 HG23 ' HB1' ' A' ' 17' ' ' ALA . 0.2 OUTLIER -124.8 165.27 18.31 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.212 0.945 . . . . 0.0 110.435 179.63 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 2.2 ttmt -98.62 159.99 14.58 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.691 1.244 . . . . 0.0 110.12 -179.399 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 22' ' ' MET . . . . . . . . . . . . . 1.1 tpt -177.56 -145.93 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.468 0 CA-C-N 114.939 -1.028 . . . . 0.0 110.308 -179.899 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 3.1 t -68.67 -39.62 80.58 Favored 'Isoleucine or valine' 0 CA--C 1.541 0.612 0 N-CA-C 106.201 -1.778 . . . . 0.0 106.201 177.44 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -86.83 -178.16 49.17 Favored Glycine 0 CA--C 1.532 1.129 0 CA-C-N 113.789 -1.551 . . . . 0.0 110.266 178.668 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 25' ' ' PRO . . . . . 0.531 ' HD2' ' CD2' ' A' ' 16' ' ' HIS . 93.3 Cg_endo -102.16 139.65 0.17 Allowed 'Trans proline' 0 C--N 1.353 0.773 0 C-N-CA 122.798 2.332 . . . . 0.0 110.752 -178.26 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -57.82 114.39 2.28 Favored 'General case' 0 C--N 1.324 -0.542 0 N-CA-C 106.489 -1.671 . . . . 0.0 106.489 177.54 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 27' ' ' TYR . . . . . 0.891 ' CE2' HG13 ' A' ' 78' ' ' VAL . 3.8 m-85 -58.03 -21.98 47.79 Favored 'General case' 0 C--N 1.324 -0.535 0 O-C-N 124.797 1.311 . . . . 0.0 112.042 -177.705 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -74.53 -43.0 57.89 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.644 1.215 . . . . 0.0 108.859 179.585 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 12.7 m-20 -66.98 -34.05 76.91 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.882 1.364 . . . . 0.0 109.5 179.812 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 30' ' ' VAL . . . . . 0.487 HG11 HG12 ' A' ' 78' ' ' VAL . 2.6 t -71.9 -31.45 40.88 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 N-CA-C 107.704 -1.221 . . . . 0.0 107.704 178.647 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -95.03 12.13 29.59 Favored 'General case' 0 C--N 1.328 -0.344 0 O-C-N 125.036 1.46 . . . . 0.0 110.31 179.831 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -124.56 5.31 8.26 Favored 'General case' 0 CA--C 1.54 0.578 0 O-C-N 123.949 0.781 . . . . 0.0 109.947 178.2 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 4.8 mmtm -122.4 -50.86 1.98 Allowed 'General case' 0 C--N 1.323 -0.579 0 N-CA-C 107.173 -1.417 . . . . 0.0 107.173 177.773 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 13.7 m-85 -93.91 -33.11 13.62 Favored 'General case' 0 CA--C 1.54 0.589 0 CA-C-N 114.343 -1.299 . . . . 0.0 108.85 177.174 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . 50.0 -157.84 0.09 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 125.203 1.565 . . . . 0.0 109.456 179.114 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . -88.21 39.98 3.1 Favored Glycine 0 CA--C 1.531 1.038 0 O-C-N 124.508 1.13 . . . . 0.0 110.859 179.665 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 1.5 mm-40 -66.25 -27.03 67.64 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.345 0.673 . . . . 0.0 109.408 179.332 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . 58.22 -179.84 0.07 Allowed 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 114.678 -1.146 . . . . 0.0 110.103 179.252 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 86.29 -23.03 10.4 Favored Glycine 0 CA--C 1.529 0.938 0 CA-C-N 114.718 -1.128 . . . . 0.0 111.971 -179.891 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -117.81 49.25 1.26 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.23 0.606 . . . . 0.0 109.649 -179.807 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 2.8 pt-20 -115.32 21.53 14.03 Favored 'General case' 0 C--N 1.324 -0.537 0 O-C-N 124.594 1.184 . . . . 0.0 109.927 179.2 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -101.59 -66.17 0.93 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.702 1.251 . . . . 0.0 109.111 -179.996 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -75.41 -1.56 24.49 Favored 'General case' 0 CA--C 1.54 0.577 0 O-C-N 124.647 1.217 . . . . 0.0 110.775 178.647 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -87.16 -34.9 18.89 Favored 'General case' 0 C--N 1.323 -0.565 0 N-CA-C 106.895 -1.52 . . . . 0.0 106.895 176.811 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 45' ' ' ALA . . . . . 0.465 ' HA ' ' HB2' ' A' ' 75' ' ' ALA . . . -74.5 -24.58 59.01 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 125.137 1.523 . . . . 0.0 109.175 178.526 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 46' ' ' GLN . . . . . . . . . . . . . 3.6 mt-30 -81.15 -18.24 47.03 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.815 1.322 . . . . 0.0 109.982 -179.932 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 47' ' ' ARG . . . . . 0.429 ' HG2' ' HB2' ' A' ' 52' ' ' SER . 79.6 mtt180 -75.35 -32.07 60.76 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 125.074 1.484 . . . . 0.0 108.371 177.762 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 21.3 mt -76.76 -16.3 14.79 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.388 0 O-C-N 125.002 1.439 . . . . 0.0 109.925 178.711 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 49' ' ' LYS . . . . . 0.612 ' HG3' HG23 ' A' ' 66' ' ' VAL . 0.1 OUTLIER -114.52 -0.76 13.61 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.242 0.963 . . . . 0.0 112.809 -177.839 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 78.8 m-20 -134.91 -9.63 2.34 Favored 'General case' 0 N--CA 1.448 -0.542 0 O-C-N 124.379 1.05 . . . . 0.0 113.405 -179.192 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 74.72 126.86 0.17 Allowed Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.099 0.874 . . . . 0.0 110.98 179.933 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 52' ' ' SER . . . . . 0.429 ' HB2' ' HG2' ' A' ' 47' ' ' ARG . 14.1 t -112.12 166.97 10.78 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.355 0.679 . . . . 0.0 109.692 179.679 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -170.61 106.26 0.29 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.49 1.119 . . . . 0.0 110.465 -179.744 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 133.36 43.35 0.15 Allowed Glycine 0 CA--C 1.53 0.976 0 O-C-N 124.408 1.067 . . . . 0.0 111.165 179.871 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 55' ' ' VAL . . . . . 0.542 HG12 ' CD1' ' A' ' 56' ' ' TRP . 22.0 t -131.39 -65.19 0.62 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.463 0.743 . . . . 0.0 109.128 179.98 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 56' ' ' TRP . . . . . 0.542 ' CD1' HG12 ' A' ' 55' ' ' VAL . 2.2 m95 -110.44 -43.05 3.95 Favored 'General case' 0 C--N 1.325 -0.46 0 N-CA-C 107.757 -1.201 . . . . 0.0 107.757 179.243 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -159.43 167.22 35.03 Favored Glycine 0 CA--C 1.531 1.055 0 O-C-N 124.666 1.228 . . . . 0.0 110.974 -179.9 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 58' ' ' PRO . . . . . . . . . . . . . 1.1 Cg_endo -68.21 -155.89 0.04 OUTLIER 'Trans proline' 0 C--N 1.36 1.159 0 O-C-N 124.495 1.787 . . . . 0.0 110.753 179.433 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 59' ' ' ILE . . . . . . . . . . . . . 0.5 OUTLIER 73.81 111.6 0.03 OUTLIER Pre-proline 0 C--N 1.325 -0.496 0 O-C-N 124.537 1.148 . . . . 0.0 109.267 179.92 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 60' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -76.83 122.98 6.58 Favored 'Trans proline' 0 C--N 1.36 1.178 0 O-C-N 124.425 1.75 . . . . 0.0 111.116 179.816 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 61' ' ' MET . . . . . 0.425 ' HG3' ' HD2' ' A' ' 62' ' ' PRO . 3.9 ttp -67.1 141.44 96.42 Favored Pre-proline 0 C--N 1.325 -0.478 0 O-C-N 124.484 1.115 . . . . 0.0 110.821 -179.97 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 62' ' ' PRO . . . . . 0.425 ' HD2' ' HG3' ' A' ' 61' ' ' MET . 21.5 Cg_exo -47.33 107.32 0.12 Allowed 'Trans proline' 0 C--N 1.362 1.253 0 O-C-N 124.492 1.785 . . . . 0.0 111.58 -179.223 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 63' ' ' PRO . . . . . . . . . . . . . 14.8 Cg_endo -69.02 99.07 0.65 Allowed 'Trans proline' 0 C--N 1.361 1.187 0 O-C-N 124.408 1.741 . . . . 0.0 110.446 179.35 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER -65.26 -167.4 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.458 1.099 . . . . 0.0 109.677 -179.512 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -155.08 94.28 1.62 Allowed 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.426 1.079 . . . . 0.0 109.164 -179.992 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 66' ' ' VAL . . . . . 0.612 HG23 ' HG3' ' A' ' 49' ' ' LYS . 0.6 OUTLIER -121.8 -143.22 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.323 -0.556 0 O-C-N 124.461 1.101 . . . . 0.0 109.147 -179.951 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 5.1 m -163.93 41.2 0.09 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.4 1.063 . . . . 0.0 110.189 -179.881 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 9.6 t70 70.17 148.38 0.07 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.468 1.105 . . . . 0.0 109.547 179.847 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 69' ' ' ASP . . . . . 0.426 ' O ' ' CB ' ' A' ' 70' ' ' GLU . 8.0 t0 69.77 88.05 0.11 Allowed 'General case' 0 CA--C 1.54 0.568 0 N-CA-C 107.817 -1.179 . . . . 0.0 107.817 -178.964 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 70' ' ' GLU . . . . . 0.426 ' CB ' ' O ' ' A' ' 69' ' ' ASP . 11.3 mm-40 140.37 -37.71 0.01 OUTLIER 'General case' 0 CA--C 1.559 1.317 0 N-CA-C 105.78 -1.933 . . . . 0.0 105.78 -177.811 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -97.47 -25.02 15.33 Favored 'General case' 0 CA--C 1.538 0.513 0 CA-C-N 112.609 -2.087 . . . . 0.0 107.137 175.966 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 11.2 tt0 -67.96 -36.95 80.94 Favored 'General case' 0 C--N 1.327 -0.382 0 O-C-N 125.029 1.456 . . . . 0.0 109.904 179.322 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -71.61 -45.1 63.11 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.45 1.094 . . . . 0.0 110.114 179.813 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 74' ' ' LEU . . . . . 0.642 HD11 ' HB3' ' A' ' 6' ' ' LEU . 0.4 OUTLIER -59.24 -41.37 88.58 Favored 'General case' 0 C--N 1.326 -0.421 0 O-C-N 124.554 1.159 . . . . 0.0 110.355 -179.547 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 75' ' ' ALA . . . . . 0.465 ' HB2' ' HA ' ' A' ' 45' ' ' ALA . . . -66.86 -31.71 72.5 Favored 'General case' 0 N--CA 1.45 -0.449 0 O-C-N 124.304 1.003 . . . . 0.0 111.22 -179.047 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -76.6 -21.24 55.83 Favored 'General case' 0 C--N 1.323 -0.548 0 CA-C-N 115.055 -0.975 . . . . 0.0 109.381 -179.349 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 77' ' ' TRP . . . . . 0.635 ' CE3' ' CE2' ' A' ' 27' ' ' TYR . 36.3 t90 -79.47 -25.85 41.8 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.461 1.101 . . . . 0.0 108.967 -179.799 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 78' ' ' VAL . . . . . 0.891 HG13 ' CE2' ' A' ' 27' ' ' TYR . 0.0 OUTLIER -77.1 -52.33 16.91 Favored 'Isoleucine or valine' 0 CA--C 1.551 0.991 0 N-CA-C 106.394 -1.706 . . . . 0.0 106.394 177.802 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -50.67 -71.44 0.06 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 125.082 1.489 . . . . 0.0 108.887 179.17 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 2.1 p -96.42 133.62 40.61 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.811 1.32 . . . . 0.0 110.121 -179.885 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 81' ' ' GLN . . . . . . . . . . . . . 1.2 pp0? -92.13 -177.71 4.76 Favored 'General case' 0 C--N 1.327 -0.389 0 O-C-N 124.419 1.074 . . . . 0.0 110.21 179.994 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 22.7 tttt . . . . . 0 C--N 1.324 -0.51 0 O-C-N 124.54 1.15 . . . . 0.0 109.21 179.791 . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 11.2 m-20 . . . . . 0 N--CA 1.453 -0.315 0 N-CA-C 109.086 -0.709 . . . . 0.0 109.086 . . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 3' ' ' PRO . . . . . 0.527 ' HB2' ' CG ' ' A' ' 77' ' ' TRP . 20.2 Cg_endo -72.09 -12.89 28.45 Favored 'Trans proline' 0 C--N 1.36 1.172 0 O-C-N 124.562 1.822 . . . . 0.0 111.18 179.692 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 4' ' ' GLU . . . . . 0.532 ' HG2' ' CZ2' ' A' ' 77' ' ' TRP . 13.8 mt-10 -81.63 -27.38 34.17 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.608 1.192 . . . . 0.0 108.967 179.298 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 75.1 t -85.93 -23.37 7.03 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.537 0 O-C-N 124.925 1.39 . . . . 0.0 108.371 178.185 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 6' ' ' LEU . . . . . 0.604 ' HB3' HD21 ' A' ' 74' ' ' LEU . 0.3 OUTLIER -80.43 -40.59 26.05 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.542 1.151 . . . . 0.0 110.226 -179.775 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 7' ' ' PHE . . . . . 0.796 ' CZ ' HG23 ' A' ' 13' ' ' VAL . 4.6 t80 -72.36 -21.84 61.24 Favored 'General case' 0 C--N 1.327 -0.386 0 O-C-N 124.533 1.146 . . . . 0.0 111.635 -179.527 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 6.3 tptt -95.7 -7.73 36.56 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.681 1.238 . . . . 0.0 110.464 -179.614 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 11.7 t-20 -45.75 -74.69 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.066 0.854 . . . . 0.0 110.416 179.979 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 174.35 80.37 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.573 1.171 . . . . 0.0 109.635 179.874 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 174.15 -64.95 0.11 Allowed Glycine 0 CA--C 1.527 0.815 0 O-C-N 124.658 1.224 . . . . 0.0 113.052 179.731 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 12' ' ' CYS . . . . . 0.555 ' CB ' ' CD1' ' A' ' 7' ' ' PHE . 59.9 m -59.61 -60.41 3.88 Favored 'General case' 0 N--CA 1.449 -0.483 0 O-C-N 124.061 0.506 . . . . 0.0 110.813 -178.498 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 13' ' ' VAL . . . . . 0.796 HG23 ' CZ ' ' A' ' 7' ' ' PHE . 0.3 OUTLIER -63.97 -4.39 1.49 Allowed 'Isoleucine or valine' 0 CA--C 1.537 0.45 0 N-CA-C 113.793 1.034 . . . . 0.0 113.793 -177.178 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -53.58 -24.79 14.76 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 125.898 1.999 . . . . 0.0 108.54 179.447 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 1.6 p -165.35 21.55 0.05 OUTLIER 'General case' 0 C--O 1.238 0.493 0 O-C-N 125.089 1.493 . . . . 0.0 113.21 -179.328 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 16' ' ' HIS . . . . . 0.419 ' O ' ' HB3' ' A' ' 17' ' ' ALA . 1.1 m80 -97.44 -74.34 0.58 Allowed 'General case' 0 C--N 1.326 -0.419 0 N-CA-C 115.544 1.683 . . . . 0.0 115.544 -178.028 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 17' ' ' ALA . . . . . 0.589 ' HB1' HG23 ' A' ' 20' ' ' THR . . . 72.0 158.11 0.19 Allowed 'General case' 0 CA--C 1.541 0.6 0 N-CA-C 107.156 -1.424 . . . . 0.0 107.156 -175.601 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 18' ' ' ILE . . . . . 0.613 HD12 ' N ' ' A' ' 19' ' ' ASP . 1.1 pp -101.9 -53.25 7.69 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 O-C-N 124.273 0.983 . . . . 0.0 113.378 -177.963 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 19' ' ' ASP . . . . . 0.613 ' N ' HD12 ' A' ' 18' ' ' ILE . 0.1 OUTLIER -93.54 11.75 27.59 Favored 'General case' 0 N--CA 1.452 -0.348 0 CA-C-N 115.412 -0.813 . . . . 0.0 111.49 -178.548 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 20' ' ' THR . . . . . 0.589 HG23 ' HB1' ' A' ' 17' ' ' ALA . 0.1 OUTLIER -136.32 161.9 34.5 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.427 1.079 . . . . 0.0 110.052 179.028 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -130.1 128.67 42.34 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.75 1.281 . . . . 0.0 109.585 -179.539 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 22' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -130.21 -88.94 0.49 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.338 1.024 . . . . 0.0 110.122 179.545 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 1.5 t -96.52 -39.3 9.11 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 N-CA-C 107.713 -1.217 . . . . 0.0 107.713 178.251 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -105.09 168.13 15.5 Favored Glycine 0 CA--C 1.532 1.152 0 O-C-N 124.897 1.373 . . . . 0.0 111.065 179.919 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 25' ' ' PRO . . . . . . . . . . . . . 41.6 Cg_endo -67.84 156.07 67.39 Favored 'Trans proline' 0 N--CA 1.448 -1.159 0 C-N-CA 122.151 1.901 . . . . 0.0 112.081 -179.246 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -82.15 127.86 33.57 Favored 'General case' 0 C--N 1.324 -0.51 0 N-CA-C 106.59 -1.633 . . . . 0.0 106.59 176.867 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 27' ' ' TYR . . . . . 0.613 ' CE2' ' CZ3' ' A' ' 77' ' ' TRP . 8.6 m-85 -56.38 -32.16 64.5 Favored 'General case' 0 C--N 1.323 -0.565 0 O-C-N 124.911 1.382 . . . . 0.0 111.059 -178.373 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -69.34 -39.67 78.0 Favored 'General case' 0 CA--C 1.535 0.386 0 O-C-N 124.576 1.172 . . . . 0.0 109.521 179.773 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 29' ' ' ASP . . . . . 0.465 ' HB3' ' CH2' ' A' ' 56' ' ' TRP . 5.6 m-20 -64.23 -34.42 78.06 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.638 1.211 . . . . 0.0 109.214 179.74 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 30' ' ' VAL . . . . . 0.573 HG11 HG13 ' A' ' 78' ' ' VAL . 53.2 t -70.0 -35.09 62.63 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.363 0 CA-C-N 114.287 -1.324 . . . . 0.0 107.658 178.866 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -94.04 20.9 7.31 Favored 'General case' 0 CA--C 1.537 0.443 0 O-C-N 124.545 1.153 . . . . 0.0 108.893 177.767 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -120.44 -1.11 10.21 Favored 'General case' 0 CA--C 1.548 0.894 0 CA-C-N 114.59 -1.186 . . . . 0.0 108.665 176.863 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 33' ' ' LYS . . . . . 0.563 ' HB3' ' CD1' ' A' ' 34' ' ' PHE . 0.0 OUTLIER -122.45 -61.34 1.47 Allowed 'General case' 0 C--N 1.323 -0.55 0 O-C-N 124.824 1.327 . . . . 0.0 109.444 178.848 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 34' ' ' PHE . . . . . 0.696 ' HB2' HD21 ' A' ' 79' ' ' LEU . 0.0 OUTLIER -105.37 30.41 5.68 Favored 'General case' 0 N--CA 1.444 -0.767 0 N-CA-C 114.424 1.268 . . . . 0.0 114.424 -179.72 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -73.05 -10.05 59.39 Favored 'General case' 0 CA--C 1.569 1.679 0 O-C-N 125.262 1.601 . . . . 0.0 107.525 173.401 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 36' ' ' GLY . . . . . 0.492 ' C ' ' HG3' ' A' ' 37' ' ' GLN . . . -94.06 -39.81 4.75 Favored Glycine 0 CA--C 1.551 2.308 0 N-CA-C 105.511 -3.036 . . . . 0.0 105.511 171.561 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 37' ' ' GLN . . . . . 0.492 ' HG3' ' C ' ' A' ' 36' ' ' GLY . 11.2 mt-30 81.19 -164.67 0.02 OUTLIER 'General case' 0 N--CA 1.444 -0.729 0 N-CA-C 117.04 2.237 . . . . 0.0 117.04 173.761 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 38' ' ' ALA . . . . . 0.447 ' HB3' ' O ' ' A' ' 37' ' ' GLN . . . 78.56 104.13 0.07 Allowed 'General case' 0 CA--C 1.541 0.603 0 N-CA-C 107.04 -1.467 . . . . 0.0 107.04 -177.095 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 162.92 -27.49 0.24 Allowed Glycine 0 CA--C 1.534 1.226 0 O-C-N 124.61 1.194 . . . . 0.0 110.132 -178.897 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -173.3 -91.71 0.01 OUTLIER 'General case' 0 N--CA 1.452 -0.373 0 O-C-N 125.297 1.234 . . . . 0.0 113.401 179.424 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 1.3 tt0 50.92 25.1 2.05 Favored 'General case' 0 CA--C 1.541 0.609 0 CA-C-O 121.708 0.766 . . . . 0.0 109.349 -177.321 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -141.79 -53.82 0.44 Allowed 'General case' 0 CA--C 1.544 0.74 0 N-CA-C 105.278 -2.119 . . . . 0.0 105.278 177.576 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 43' ' ' GLU . . . . . 0.423 ' HA ' ' HB2' ' A' ' 46' ' ' GLN . 1.7 pt-20 -85.33 3.93 37.47 Favored 'General case' 0 CA--C 1.54 0.575 0 O-C-N 125.764 1.915 . . . . 0.0 109.596 174.984 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -88.4 -38.28 15.2 Favored 'General case' 0 CA--C 1.543 0.685 0 N-CA-C 106.018 -1.845 . . . . 0.0 106.018 176.236 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -71.29 -26.29 62.8 Favored 'General case' 0 C--N 1.327 -0.412 0 O-C-N 125.377 1.673 . . . . 0.0 108.247 177.605 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 46' ' ' GLN . . . . . 0.423 ' HB2' ' HA ' ' A' ' 43' ' ' GLU . 1.4 mt-30 -79.99 -18.19 50.93 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 114.502 -1.226 . . . . 0.0 110.485 -179.936 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 47' ' ' ARG . . . . . 0.443 ' HG3' ' HA ' ' A' ' 52' ' ' SER . 0.3 OUTLIER -76.03 -32.98 59.62 Favored 'General case' 0 CA--C 1.542 0.654 0 O-C-N 125.077 1.486 . . . . 0.0 107.683 177.27 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 2.0 mt -63.21 -29.1 46.39 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.441 0 O-C-N 125.162 1.538 . . . . 0.0 109.115 178.82 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 2.9 ttpm? -114.92 6.44 15.37 Favored 'General case' 0 N--CA 1.45 -0.458 0 O-C-N 124.442 1.089 . . . . 0.0 113.434 -177.745 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 2.0 t-20 -148.41 13.48 0.96 Allowed 'General case' 0 N--CA 1.452 -0.345 0 O-C-N 123.957 0.786 . . . . 0.0 112.404 -179.231 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 70.34 146.32 0.32 Allowed Glycine 0 CA--C 1.531 1.043 0 O-C-N 124.227 0.955 . . . . 0.0 111.064 179.767 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 52' ' ' SER . . . . . 0.443 ' HA ' ' HG3' ' A' ' 47' ' ' ARG . 0.2 OUTLIER -72.51 -19.44 61.53 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.475 0.75 . . . . 0.0 111.295 -179.609 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER 79.47 -8.13 1.63 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.373 1.045 . . . . 0.0 112.198 179.943 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 117.75 96.7 1.86 Allowed Glycine 0 CA--C 1.529 0.962 0 O-C-N 124.14 0.9 . . . . 0.0 111.474 179.75 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 55' ' ' VAL . . . . . 0.587 HG12 ' CD1' ' A' ' 56' ' ' TRP . 11.7 t -122.61 -50.47 2.73 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.395 0.703 . . . . 0.0 109.162 179.683 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 56' ' ' TRP . . . . . 0.587 ' CD1' HG12 ' A' ' 55' ' ' VAL . 1.4 m95 -102.04 -54.59 2.67 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.571 1.17 . . . . 0.0 107.979 179.81 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -122.48 167.33 14.92 Favored Glycine 0 CA--C 1.53 1.028 0 O-C-N 124.565 1.166 . . . . 0.0 110.894 -179.826 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 58' ' ' PRO . . . . . . . . . . . . . 37.1 Cg_endo -85.28 24.04 0.79 Allowed 'Trans proline' 0 C--N 1.358 1.042 0 O-C-N 124.375 1.723 . . . . 0.0 112.454 179.832 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 59' ' ' ILE . . . . . . . . . . . . . 1.3 tt -110.58 87.55 6.67 Favored Pre-proline 0 C--N 1.326 -0.436 0 O-C-N 124.227 0.955 . . . . 0.0 109.202 179.925 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 60' ' ' PRO . . . . . . . . . . . . . 2.7 Cg_endo -49.28 136.68 31.32 Favored 'Trans proline' 0 C--N 1.36 1.172 0 O-C-N 124.526 1.803 . . . . 0.0 110.848 -179.47 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 61' ' ' MET . . . . . . . . . . . . . 5.8 ttp -74.34 125.73 89.62 Favored Pre-proline 0 C--N 1.325 -0.489 0 O-C-N 124.6 1.187 . . . . 0.0 110.64 179.862 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 62' ' ' PRO . . . . . . . . . . . . . 24.0 Cg_exo -47.7 121.23 5.43 Favored 'Trans proline' 0 C--N 1.36 1.178 0 O-C-N 124.514 1.797 . . . . 0.0 110.967 -179.214 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 63' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -70.52 159.03 54.21 Favored 'Trans proline' 0 C--N 1.36 1.176 0 O-C-N 124.239 1.652 . . . . 0.0 110.855 179.625 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 7.8 t-20 70.64 110.76 0.06 Allowed 'General case' 0 C--N 1.324 -0.534 0 O-C-N 124.725 1.266 . . . . 0.0 109.418 -179.904 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -146.69 -47.67 0.19 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.449 1.093 . . . . 0.0 109.095 179.849 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 0.1 OUTLIER -149.26 154.0 10.1 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.425 0 O-C-N 124.468 1.105 . . . . 0.0 109.165 179.892 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 22.7 m -71.19 174.27 6.6 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.59 1.181 . . . . 0.0 109.907 -179.964 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 68' ' ' ASP . . . . . 0.421 ' O ' ' CB ' ' A' ' 69' ' ' ASP . 7.0 t70 -61.11 138.29 58.21 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.57 1.169 . . . . 0.0 109.064 179.913 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 69' ' ' ASP . . . . . 0.421 ' CB ' ' O ' ' A' ' 68' ' ' ASP . 9.3 t0 89.38 -39.41 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.602 1.189 . . . . 0.0 108.959 -178.944 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 35.0 mm-40 -74.78 -25.49 59.1 Favored 'General case' 0 C--N 1.323 -0.548 0 O-C-N 124.822 1.326 . . . . 0.0 108.687 177.76 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -89.71 -44.33 10.09 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-N 114.372 -1.286 . . . . 0.0 108.07 178.448 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 5.8 tt0 -51.84 -33.7 37.28 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.786 1.303 . . . . 0.0 110.68 179.657 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 73' ' ' THR . . . . . 0.67 HG22 HD22 ' A' ' 74' ' ' LEU . 0.9 OUTLIER -68.89 -50.97 45.05 Favored 'General case' 0 C--N 1.327 -0.407 0 O-C-N 124.424 1.077 . . . . 0.0 109.893 179.695 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 74' ' ' LEU . . . . . 0.67 HD22 HG22 ' A' ' 73' ' ' THR . 4.2 mm? -70.86 -9.37 57.49 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.726 1.266 . . . . 0.0 110.781 -179.659 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -89.57 -31.21 17.7 Favored 'General case' 0 C--N 1.325 -0.457 0 N-CA-C 108.477 -0.935 . . . . 0.0 108.477 179.062 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 3.6 tttp -72.03 -48.31 45.45 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 125.001 1.438 . . . . 0.0 109.012 -179.786 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 77' ' ' TRP . . . . . 0.613 ' CZ3' ' CE2' ' A' ' 27' ' ' TYR . 72.0 t90 -66.16 -32.01 73.19 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.645 1.215 . . . . 0.0 108.107 -179.801 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 78' ' ' VAL . . . . . 0.573 HG13 HG11 ' A' ' 30' ' ' VAL . 0.6 OUTLIER -58.85 -48.78 85.2 Favored 'Isoleucine or valine' 0 CA--C 1.547 0.848 0 N-CA-C 105.097 -2.186 . . . . 0.0 105.097 176.411 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 79' ' ' LEU . . . . . 0.696 HD21 ' HB2' ' A' ' 34' ' ' PHE . 0.2 OUTLIER -99.63 34.53 2.21 Favored 'General case' 0 N--CA 1.452 -0.357 0 CA-C-N 112.848 -1.978 . . . . 0.0 113.342 -177.376 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 15.8 t -155.01 20.49 0.44 Allowed 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.306 1.003 . . . . 0.0 110.956 179.485 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 81' ' ' GLN . . . . . . . . . . . . . 1.5 pt20 42.34 -98.68 0.03 OUTLIER 'General case' 0 C--N 1.323 -0.544 0 O-C-N 124.705 1.253 . . . . 0.0 112.005 179.557 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.325 -0.499 0 O-C-N 124.345 1.028 . . . . 0.0 109.152 179.696 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER . . . . . 0 N--CA 1.452 -0.345 0 N-CA-C 109.297 -0.631 . . . . 0.0 109.297 . . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 3' ' ' PRO . . . . . 0.543 ' HB2' ' CG ' ' A' ' 77' ' ' TRP . 5.3 Cg_endo -73.39 -13.58 25.31 Favored 'Trans proline' 0 C--N 1.359 1.112 0 O-C-N 124.501 1.79 . . . . 0.0 111.601 -179.837 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 51.5 mt-10 -83.04 -28.03 29.89 Favored 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.796 1.31 . . . . 0.0 108.497 178.252 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 55.8 t -78.06 -31.76 16.86 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.398 0 CA-C-N 114.172 -1.376 . . . . 0.0 108.125 178.47 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 6' ' ' LEU . . . . . 0.579 ' HB3' HD11 ' A' ' 74' ' ' LEU . 0.3 OUTLIER -74.76 -39.29 61.89 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.859 1.349 . . . . 0.0 107.691 178.398 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 7' ' ' PHE . . . . . 0.874 ' CE2' HG23 ' A' ' 13' ' ' VAL . 14.6 t80 -60.52 -17.36 45.07 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 114.242 -1.345 . . . . 0.0 111.975 179.756 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 11.2 tptt -115.98 -13.24 11.27 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.16 0.912 . . . . 0.0 111.092 -178.999 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 9' ' ' ASN . . . . . 0.409 ' HB3' ' HA ' ' A' ' 6' ' ' LEU . 0.1 OUTLIER -62.37 -31.7 72.39 Favored 'General case' 0 N--CA 1.449 -0.5 0 N-CA-C 114.02 1.119 . . . . 0.0 114.02 -178.309 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -111.18 -88.39 0.52 Allowed 'General case' 0 C--N 1.326 -0.449 0 O-C-N 123.869 0.731 . . . . 0.0 112.012 -178.361 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -163.54 20.93 0.16 Allowed Glycine 0 CA--C 1.527 0.837 0 O-C-N 124.594 1.184 . . . . 0.0 113.969 -178.855 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 12' ' ' CYS . . . . . 0.607 ' HB2' ' CD1' ' A' ' 7' ' ' PHE . 15.5 m -59.68 -52.92 63.45 Favored 'General case' 0 N--CA 1.448 -0.561 0 N-CA-C 108.285 -1.005 . . . . 0.0 108.285 179.443 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 13' ' ' VAL . . . . . 0.874 HG23 ' CE2' ' A' ' 7' ' ' PHE . 0.3 OUTLIER -52.32 -11.17 0.25 Allowed 'Isoleucine or valine' 0 CA--C 1.539 0.548 0 N-CA-C 114.695 1.369 . . . . 0.0 114.695 -176.796 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -49.99 -45.48 51.74 Favored 'General case' 0 C--N 1.323 -0.548 0 O-C-N 126.12 2.137 . . . . 0.0 108.387 178.998 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -145.64 12.79 1.33 Allowed 'General case' 0 N--CA 1.45 -0.463 0 O-C-N 124.857 1.348 . . . . 0.0 112.675 -179.281 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 16' ' ' HIS . . . . . 0.599 ' CE1' ' HD2' ' A' ' 25' ' ' PRO . 6.1 m-70 -101.81 64.41 0.97 Allowed 'General case' 0 N--CA 1.451 -0.412 0 N-CA-C 115.849 1.796 . . . . 0.0 115.849 -177.98 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 17' ' ' ALA . . . . . 0.435 ' HB3' ' O ' ' A' ' 20' ' ' THR . . . -55.42 167.02 0.53 Allowed 'General case' 0 CA--C 1.54 0.581 0 N-CA-C 107.785 -1.191 . . . . 0.0 107.785 177.034 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 18' ' ' ILE . . . . . 0.786 HD13 ' CB ' ' A' ' 27' ' ' TYR 0.287 0.1 OUTLIER -129.3 55.94 0.34 Allowed 'Isoleucine or valine' 0 CA--C 1.55 0.969 0 N-CA-C 105.471 -2.048 . . . . 0.0 105.471 177.221 . . . . . . . . 4 4 . 1 . 004 nuclear build core ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER 165.43 -23.79 0.0 OUTLIER 'General case' 0 N--CA 1.453 -0.323 0 CA-C-N 112.41 -2.177 . . . . 0.0 110.707 179.248 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 20' ' ' THR . . . . . 0.435 ' O ' ' HB3' ' A' ' 17' ' ' ALA . 0.3 OUTLIER -126.16 174.04 8.79 Favored 'General case' 0 C--N 1.323 -0.57 0 O-C-N 124.221 0.951 . . . . 0.0 110.207 179.744 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 1.6 pttp -128.97 138.28 51.87 Favored 'General case' 0 C--N 1.327 -0.403 0 O-C-N 124.377 1.048 . . . . 0.0 111.098 -179.431 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 22' ' ' MET . . . . . . . . . . . . . 2.2 tpp -134.67 -69.54 0.52 Allowed 'General case' 0 C--N 1.325 -0.474 0 CA-C-N 114.759 -1.109 . . . . 0.0 109.365 178.829 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 2.7 t -122.26 -49.0 2.65 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.519 0 N-CA-C 107.353 -1.351 . . . . 0.0 107.353 177.826 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -91.18 161.92 28.1 Favored Glycine 0 CA--C 1.534 1.26 0 O-C-N 124.845 1.34 . . . . 0.0 110.202 178.846 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 25' ' ' PRO . . . . . 0.599 ' HD2' ' CE1' ' A' ' 16' ' ' HIS . 46.8 Cg_endo -67.66 134.11 31.76 Favored 'Trans proline' 0 C--N 1.359 1.103 0 O-C-N 124.417 1.746 . . . . 0.0 114.097 -178.885 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 26' ' ' ALA . . . . . 0.485 ' HB3' ' OD2' ' A' ' 29' ' ' ASP . . . -57.73 123.3 15.22 Favored 'General case' 0 C--N 1.324 -0.507 0 N-CA-C 105.732 -1.951 . . . . 0.0 105.732 175.735 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 27' ' ' TYR . . . . . 0.869 ' CE2' HG13 ' A' ' 78' ' ' VAL . 5.2 m-85 -57.37 -16.53 9.29 Favored 'General case' 0 C--N 1.323 -0.576 0 O-C-N 124.873 1.358 . . . . 0.0 111.566 -178.019 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -82.08 -39.7 23.04 Favored 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.624 1.202 . . . . 0.0 111.588 -179.059 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 29' ' ' ASP . . . . . 0.485 ' OD2' ' HB3' ' A' ' 26' ' ' ALA . 5.1 p30 -72.62 -25.9 61.48 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.797 1.31 . . . . 0.0 109.209 -179.869 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 1.5 t -73.3 -36.31 48.93 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 N-CA-C 107.255 -1.387 . . . . 0.0 107.255 178.072 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 31' ' ' ALA . . . . . 0.603 ' HA ' ' HB2' ' A' ' 35' ' ' ALA . . . -88.84 15.84 7.78 Favored 'General case' 0 C--N 1.328 -0.346 0 O-C-N 124.997 1.436 . . . . 0.0 109.983 179.371 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -144.96 18.08 1.6 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.175 0.922 . . . . 0.0 111.252 179.765 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -167.12 44.62 0.05 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.332 1.02 . . . . 0.0 108.561 179.314 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 34' ' ' PHE . . . . . 0.4 ' CE2' HD22 ' A' ' 79' ' ' LEU . 10.0 t80 170.25 -31.23 0.0 OUTLIER 'General case' 0 CA--C 1.54 0.593 0 O-C-N 124.575 1.172 . . . . 0.0 110.18 179.82 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 35' ' ' ALA . . . . . 0.603 ' HB2' ' HA ' ' A' ' 31' ' ' ALA . . . -48.67 138.03 11.31 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 125.525 1.766 . . . . 0.0 108.396 178.753 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 103.05 -7.43 52.47 Favored Glycine 0 CA--C 1.531 1.073 0 O-C-N 124.571 1.169 . . . . 0.0 111.101 -177.921 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -92.05 60.53 3.82 Favored 'General case' 0 C--N 1.326 -0.417 0 N-CA-C 109.274 -0.639 . . . . 0.0 109.274 179.127 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -55.68 169.38 0.34 Allowed 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 114.695 -1.139 . . . . 0.0 110.84 -178.954 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 67.49 26.07 73.7 Favored Glycine 0 CA--C 1.529 0.925 0 CA-C-N 114.86 -1.063 . . . . 0.0 112.475 179.429 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -124.42 -11.65 7.36 Favored 'General case' 0 N--CA 1.45 -0.459 0 O-C-N 124.26 0.624 . . . . 0.0 111.882 -179.492 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 23.8 pt-20 -63.95 -9.88 18.13 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.068 0.855 . . . . 0.0 112.358 -179.277 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -77.86 -54.15 6.66 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.51 1.131 . . . . 0.0 108.697 179.766 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -80.74 2.4 26.27 Favored 'General case' 0 CA--C 1.537 0.475 0 O-C-N 124.774 1.297 . . . . 0.0 110.798 178.501 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 44' ' ' LEU . . . . . 0.688 ' O ' HG23 ' A' ' 48' ' ' ILE . 13.9 tp -90.16 -37.56 14.1 Favored 'General case' 0 C--N 1.324 -0.51 0 N-CA-C 106.989 -1.485 . . . . 0.0 106.989 176.831 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -67.6 -22.37 65.37 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.988 1.43 . . . . 0.0 109.175 178.708 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 46' ' ' GLN . . . . . . . . . . . . . 74.9 mt-30 -83.92 -24.35 30.79 Favored 'General case' 0 CA--C 1.537 0.463 0 O-C-N 124.744 1.278 . . . . 0.0 109.893 -179.477 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -79.73 -39.72 30.47 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.989 1.43 . . . . 0.0 109.651 178.702 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 48' ' ' ILE . . . . . 0.688 HG23 ' O ' ' A' ' 44' ' ' LEU . 0.3 OUTLIER -83.29 -0.24 5.05 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 125.003 1.439 . . . . 0.0 110.104 179.107 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 49' ' ' LYS . . . . . 0.668 ' CG ' HG23 ' A' ' 66' ' ' VAL . 0.9 OUTLIER -124.41 -5.18 7.73 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.051 0.845 . . . . 0.0 111.451 179.908 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 3.8 t-20 -144.64 4.04 1.14 Allowed 'General case' 0 N--CA 1.449 -0.504 0 O-C-N 124.5 1.125 . . . . 0.0 113.015 -179.677 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 83.01 162.54 32.59 Favored Glycine 0 CA--C 1.53 0.973 0 O-C-N 123.973 0.796 . . . . 0.0 111.969 179.32 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 6.4 p -109.91 -159.99 0.7 Allowed 'General case' 0 C--N 1.327 -0.409 0 O-C-N 124.446 0.733 . . . . 0.0 109.741 179.747 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -121.35 -12.13 8.66 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.595 1.184 . . . . 0.0 111.697 -179.772 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 114.15 97.09 2.2 Favored Glycine 0 CA--C 1.531 1.059 0 O-C-N 124.309 1.006 . . . . 0.0 110.741 -179.727 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 24.6 t -113.65 -39.23 3.0 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.551 0.795 . . . . 0.0 109.595 -179.775 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 56' ' ' TRP . . . . . . . . . . . . . 6.6 m95 -111.35 28.93 8.27 Favored 'General case' 0 C--N 1.326 -0.42 0 N-CA-C 108.155 -1.054 . . . . 0.0 108.155 179.756 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 147.26 166.15 12.26 Favored Glycine 0 CA--C 1.529 0.968 0 O-C-N 124.54 1.15 . . . . 0.0 110.964 179.863 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 58' ' ' PRO . . . . . . . . . . . . . 2.3 Cg_endo -69.29 -42.97 3.37 Favored 'Trans proline' 0 C--N 1.359 1.111 0 O-C-N 124.665 1.876 . . . . 0.0 110.745 179.442 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 59' ' ' ILE . . . . . . . . . . . . . 6.1 tt -55.68 110.49 2.3 Favored Pre-proline 0 C--N 1.325 -0.465 0 O-C-N 124.592 1.183 . . . . 0.0 109.298 179.884 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 60' ' ' PRO . . . . . . . . . . . . . 19.4 Cg_endo -78.84 168.38 20.98 Favored 'Trans proline' 0 C--N 1.359 1.088 0 O-C-N 124.458 1.768 . . . . 0.0 110.934 -179.596 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 61' ' ' MET . . . . . . . . . . . . . 6.8 ttp -86.99 125.24 67.11 Favored Pre-proline 0 C--N 1.326 -0.435 0 O-C-N 124.45 1.094 . . . . 0.0 111.01 179.894 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 62' ' ' PRO . . . . . . . . . . . . . 22.4 Cg_exo -49.54 113.61 1.02 Allowed 'Trans proline' 0 C--N 1.36 1.151 0 O-C-N 124.585 1.834 . . . . 0.0 110.709 179.517 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 63' ' ' PRO . . . . . . . . . . . . . 12.0 Cg_endo -65.28 109.29 1.33 Allowed 'Trans proline' 0 C--N 1.361 1.213 0 O-C-N 124.243 1.654 . . . . 0.0 111.131 -179.611 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 1.1 t-20 -114.55 127.82 56.0 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.573 1.17 . . . . 0.0 108.981 179.66 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -81.2 134.41 35.61 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.616 1.197 . . . . 0.0 110.199 -179.522 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 66' ' ' VAL . . . . . 0.668 HG23 ' CG ' ' A' ' 49' ' ' LYS . 0.1 OUTLIER -142.68 -152.54 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.439 0 O-C-N 124.389 1.056 . . . . 0.0 108.883 179.469 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 1.4 t -115.99 155.34 28.22 Favored 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.708 1.255 . . . . 0.0 109.717 179.74 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 1.6 m-20 -82.32 83.03 7.58 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.54 1.15 . . . . 0.0 109.204 179.996 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER 166.85 -43.84 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 114.703 -1.135 . . . . 0.0 108.557 179.625 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 70' ' ' GLU . . . . . 0.457 ' O ' HD12 ' A' ' 74' ' ' LEU . 10.1 mt-10 -76.81 -26.9 54.91 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.955 1.41 . . . . 0.0 108.484 178.193 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 71' ' ' ALA . . . . . 0.464 ' O ' HD11 ' A' ' 48' ' ' ILE . . . -92.04 -28.61 17.06 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 114.184 -1.371 . . . . 0.0 108.905 179.198 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -66.05 -35.81 81.55 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.589 1.181 . . . . 0.0 110.659 -179.991 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -71.42 -43.75 66.16 Favored 'General case' 0 C--N 1.327 -0.406 0 O-C-N 124.377 1.048 . . . . 0.0 111.371 -179.627 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 74' ' ' LEU . . . . . 0.579 HD11 ' HB3' ' A' ' 6' ' ' LEU . 9.9 mt -71.64 -27.45 63.09 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.409 1.068 . . . . 0.0 110.637 -179.231 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 75' ' ' ALA . . . . . 0.421 ' O ' HD23 ' A' ' 44' ' ' LEU . . . -67.65 -23.84 65.38 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.373 1.046 . . . . 0.0 110.353 -179.401 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -92.98 -18.01 23.23 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.397 1.06 . . . . 0.0 110.03 -179.97 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 77' ' ' TRP . . . . . 0.723 ' CE3' ' CE2' ' A' ' 27' ' ' TYR . 35.5 t90 -74.18 -19.12 60.66 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.391 1.057 . . . . 0.0 109.651 -179.66 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 78' ' ' VAL . . . . . 0.869 HG13 ' CE2' ' A' ' 27' ' ' TYR . 0.0 OUTLIER -84.16 -51.15 14.38 Favored 'Isoleucine or valine' 0 CA--C 1.552 1.024 0 N-CA-C 106.513 -1.662 . . . . 0.0 106.513 177.89 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 79' ' ' LEU . . . . . 0.4 HD22 ' CE2' ' A' ' 34' ' ' PHE . 0.1 OUTLIER -40.43 -56.37 2.04 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 125.431 1.707 . . . . 0.0 111.094 -179.669 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 80' ' ' SER . . . . . 0.408 ' C ' ' CG ' ' A' ' 81' ' ' GLN . 57.6 p -174.34 50.03 0.01 OUTLIER 'General case' 0 C--N 1.327 -0.41 0 O-C-N 124.55 1.156 . . . . 0.0 110.353 -179.748 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 81' ' ' GLN . . . . . 0.437 ' HA ' ' HA ' ' A' ' 77' ' ' TRP . 1.8 pt20 46.01 -100.1 0.05 OUTLIER 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.642 1.214 . . . . 0.0 111.247 179.862 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--N 1.325 -0.463 0 O-C-N 124.265 0.978 . . . . 0.0 109.179 179.71 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 2' ' ' ASP . . . . . 0.41 ' HB2' ' HD2' ' A' ' 3' ' ' PRO . 0.5 OUTLIER . . . . . 0 N--CA 1.453 -0.299 0 N-CA-C 109.152 -0.685 . . . . 0.0 109.152 . . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 3' ' ' PRO . . . . . 0.486 ' HB3' HG23 ' A' ' 73' ' ' THR . 9.9 Cg_endo -76.26 -10.23 19.16 Favored 'Trans proline' 0 C--N 1.36 1.154 0 O-C-N 124.486 1.782 . . . . 0.0 112.286 -179.454 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 4' ' ' GLU . . . . . 0.474 ' HA ' ' CZ2' ' A' ' 77' ' ' TRP . 19.4 tt0 -76.77 -28.88 55.85 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.565 1.165 . . . . 0.0 109.495 179.9 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 30.3 t -88.03 -33.28 6.46 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 N-CA-C 107.25 -1.389 . . . . 0.0 107.25 177.937 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -66.61 -31.85 72.81 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 113.889 -1.505 . . . . 0.0 108.624 178.888 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 7' ' ' PHE . . . . . 0.852 ' CZ ' HG23 ' A' ' 13' ' ' VAL . 0.4 OUTLIER -72.43 -33.57 67.18 Favored 'General case' 0 CA--C 1.538 0.489 0 O-C-N 124.955 1.409 . . . . 0.0 110.379 179.566 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 13.6 tttt -77.39 -1.9 32.45 Favored 'General case' 0 C--N 1.326 -0.415 0 O-C-N 124.898 1.374 . . . . 0.0 110.943 -179.527 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 60.2 t30 -47.79 -69.47 0.12 Allowed 'General case' 0 C--N 1.323 -0.556 0 O-C-N 124.402 1.064 . . . . 0.0 109.954 -179.863 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 10' ' ' LYS . . . . . 0.413 ' HG2' ' N ' ' A' ' 11' ' ' GLY . 0.0 OUTLIER 179.77 -35.92 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.546 1.154 . . . . 0.0 110.389 179.89 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 11' ' ' GLY . . . . . 0.413 ' N ' ' HG2' ' A' ' 10' ' ' LYS . . . -61.97 -67.12 2.24 Favored Glycine 0 CA--C 1.53 0.975 0 O-C-N 124.319 1.012 . . . . 0.0 113.636 -178.558 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 12' ' ' CYS . . . . . 0.565 ' CB ' ' CD2' ' A' ' 7' ' ' PHE . 60.6 m -58.89 -58.5 8.37 Favored 'General case' 0 N--CA 1.449 -0.504 0 O-C-N 124.162 0.566 . . . . 0.0 111.258 -178.279 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 13' ' ' VAL . . . . . 0.852 HG23 ' CZ ' ' A' ' 7' ' ' PHE . 0.4 OUTLIER -63.39 -4.21 1.26 Allowed 'Isoleucine or valine' 0 CA--C 1.536 0.437 0 N-CA-C 114.126 1.158 . . . . 0.0 114.126 -176.605 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -53.21 -31.26 42.23 Favored 'General case' 0 C--N 1.324 -0.537 0 O-C-N 125.817 1.948 . . . . 0.0 107.81 178.748 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 15' ' ' CYS . . . . . 0.441 ' HB2' ' HB ' ' A' ' 23' ' ' VAL . 0.8 OUTLIER -155.57 14.94 0.37 Allowed 'General case' 0 N--CA 1.449 -0.485 0 O-C-N 124.97 1.419 . . . . 0.0 112.494 -179.589 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 9.4 m80 -105.14 -173.66 2.35 Favored 'General case' 0 N--CA 1.45 -0.459 0 O-C-N 123.82 0.7 . . . . 0.0 110.955 179.818 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 17' ' ' ALA . . . . . 0.464 ' HB3' ' O ' ' A' ' 20' ' ' THR . . . 179.47 157.63 0.61 Allowed 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 114.318 -1.31 . . . . 0.0 108.982 179.344 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 18' ' ' ILE . . . . . 0.635 HD12 ' O ' ' A' ' 18' ' ' ILE . 0.5 OUTLIER -93.43 -28.71 4.36 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.374 0 O-C-N 124.499 1.124 . . . . 0.0 111.783 -179.117 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 17.4 p30 -134.81 27.1 3.63 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.548 1.155 . . . . 0.0 109.822 -179.779 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 20' ' ' THR . . . . . 0.464 ' O ' ' HB3' ' A' ' 17' ' ' ALA . 0.1 OUTLIER -148.02 158.66 44.18 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.532 1.145 . . . . 0.0 109.693 179.404 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -127.66 131.75 49.78 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.511 1.132 . . . . 0.0 109.949 -179.408 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 22' ' ' MET . . . . . . . . . . . . . 3.7 mtt -130.12 -91.47 0.45 Allowed 'General case' 0 C--N 1.324 -0.509 0 CA-C-N 114.979 -1.009 . . . . 0.0 110.043 179.422 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 23' ' ' VAL . . . . . 0.441 ' HB ' ' HB2' ' A' ' 15' ' ' CYS . 2.1 t -98.43 -38.15 7.04 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.522 0 N-CA-C 107.637 -1.245 . . . . 0.0 107.637 178.307 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -106.7 174.32 20.05 Favored Glycine 0 CA--C 1.532 1.143 0 CA-C-N 114.22 -1.354 . . . . 0.0 110.927 179.865 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 25' ' ' PRO . . . . . . . . . . . . . 60.8 Cg_endo -72.08 159.77 49.16 Favored 'Trans proline' 0 C--N 1.359 1.116 0 C-N-CA 121.972 1.781 . . . . 0.0 113.333 -179.102 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 26' ' ' ALA . . . . . 0.505 ' O ' HG23 ' A' ' 30' ' ' VAL . . . -89.39 142.18 27.89 Favored 'General case' 0 CA--C 1.54 0.579 0 N-CA-C 106.281 -1.748 . . . . 0.0 106.281 176.433 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 27' ' ' TYR . . . . . 0.618 ' CE2' ' CE3' ' A' ' 77' ' ' TRP . 11.0 m-85 -68.32 -26.68 65.74 Favored 'General case' 0 C--N 1.322 -0.614 0 O-C-N 125.151 1.532 . . . . 0.0 110.841 -178.46 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 3.5 tptm -75.31 -26.56 58.76 Favored 'General case' 0 C--N 1.328 -0.343 0 O-C-N 124.945 1.403 . . . . 0.0 108.614 179.408 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 29' ' ' ASP . . . . . 0.478 ' HB3' ' CH2' ' A' ' 56' ' ' TRP . 2.5 m-20 -85.27 -25.55 27.17 Favored 'General case' 0 C--N 1.323 -0.551 0 O-C-N 124.767 1.292 . . . . 0.0 107.691 177.556 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 30' ' ' VAL . . . . . 0.505 HG23 ' O ' ' A' ' 26' ' ' ALA . 8.3 t -70.37 -31.98 48.73 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.383 0 CA-C-N 114.268 -1.333 . . . . 0.0 107.552 178.012 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -79.34 -24.2 42.91 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 125.275 1.609 . . . . 0.0 109.202 179.384 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -88.14 5.39 41.56 Favored 'General case' 0 CA--C 1.536 0.44 0 O-C-N 124.955 1.41 . . . . 0.0 109.526 178.87 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 2.0 tppp? -120.87 -21.14 6.68 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.744 1.277 . . . . 0.0 110.849 179.369 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 34' ' ' PHE . . . . . 0.519 ' CZ ' HD12 ' A' ' 79' ' ' LEU . 0.1 OUTLIER -88.76 -68.26 0.78 Allowed 'General case' 0 C--N 1.323 -0.582 0 O-C-N 124.188 0.93 . . . . 0.0 109.041 179.314 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . 42.23 52.25 4.52 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.38 1.05 . . . . 0.0 111.292 177.913 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 136.88 -47.64 0.95 Allowed Glycine 0 CA--C 1.536 1.359 0 N-CA-C 109.123 -1.591 . . . . 0.0 109.123 -178.741 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 37' ' ' GLN . . . . . 0.503 ' HG3' ' HB3' ' A' ' 34' ' ' PHE . 0.0 OUTLIER 64.87 -131.08 0.3 Allowed 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 114.142 -1.029 . . . . 0.0 110.561 177.823 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 38' ' ' ALA . . . . . 0.466 ' HB3' ' O ' ' A' ' 37' ' ' GLN . . . 76.57 39.56 0.25 Allowed 'General case' 0 CA--C 1.54 0.582 0 N-CA-C 107.361 -1.348 . . . . 0.0 107.361 -177.795 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 39' ' ' GLY . . . . . 0.42 ' O ' ' HB3' ' A' ' 40' ' ' ALA . . . -112.7 31.47 6.81 Favored Glycine 0 CA--C 1.531 1.084 0 CA-C-N 114.095 -1.412 . . . . 0.0 110.757 -179.813 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 40' ' ' ALA . . . . . 0.42 ' HB3' ' O ' ' A' ' 39' ' ' GLY . . . 69.67 83.56 0.15 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.665 0.862 . . . . 0.0 111.893 179.395 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 41' ' ' GLU . . . . . 0.455 ' HA ' ' HB3' ' A' ' 44' ' ' LEU . 1.4 pt-20 -61.19 -13.95 21.78 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.851 1.345 . . . . 0.0 110.145 177.755 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -75.43 -50.76 14.85 Favored 'General case' 0 C--N 1.323 -0.552 0 O-C-N 124.725 1.266 . . . . 0.0 107.764 178.968 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 8.1 mt-10 -82.76 0.75 42.2 Favored 'General case' 0 CA--C 1.54 0.58 0 O-C-N 125.203 1.564 . . . . 0.0 110.412 177.593 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 44' ' ' LEU . . . . . 0.551 ' O ' HG23 ' A' ' 48' ' ' ILE . 0.4 OUTLIER -84.71 -37.7 20.62 Favored 'General case' 0 CA--C 1.54 0.57 0 N-CA-C 106.0 -1.852 . . . . 0.0 106.0 176.297 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 45' ' ' ALA . . . . . 0.46 ' HA ' HG12 ' A' ' 48' ' ' ILE . . . -72.08 -21.25 61.53 Favored 'General case' 0 N--CA 1.451 -0.409 0 CA-C-N 113.776 -1.557 . . . . 0.0 108.986 177.746 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 46' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER -82.58 -19.23 38.88 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.624 1.202 . . . . 0.0 110.9 -178.698 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 5.6 mtm180 -84.95 -37.72 20.17 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 125.096 1.497 . . . . 0.0 108.619 178.12 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 48' ' ' ILE . . . . . 0.551 HG23 ' O ' ' A' ' 44' ' ' LEU . 0.6 OUTLIER -77.47 -6.11 8.61 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 O-C-N 125.189 1.556 . . . . 0.0 111.239 179.672 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 49' ' ' LYS . . . . . 0.614 ' HD3' ' HB2' ' A' ' 71' ' ' ALA . 0.0 OUTLIER -126.99 -4.87 6.26 Favored 'General case' 0 N--CA 1.451 -0.411 0 O-C-N 123.993 0.808 . . . . 0.0 112.118 -179.797 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 1.8 t-20 -137.16 3.78 2.65 Favored 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.647 1.217 . . . . 0.0 111.584 179.347 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 76.77 152.89 4.89 Favored Glycine 0 CA--C 1.53 0.969 0 O-C-N 124.106 0.879 . . . . 0.0 112.585 178.983 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 4.4 m -103.19 -151.63 0.43 Allowed 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 114.716 -0.742 . . . . 0.0 109.502 179.377 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 1.8 tm0? -175.47 100.35 0.08 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.452 1.095 . . . . 0.0 110.33 179.888 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 78.43 84.27 0.56 Allowed Glycine 0 CA--C 1.531 1.035 0 O-C-N 124.51 1.131 . . . . 0.0 110.926 -179.982 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 55' ' ' VAL . . . . . 0.563 HG12 ' CD1' ' A' ' 56' ' ' TRP . 11.7 t -133.5 -65.32 0.5 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.59 0.818 . . . . 0.0 109.254 -179.983 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 56' ' ' TRP . . . . . 0.563 ' CD1' HG12 ' A' ' 55' ' ' VAL . 3.0 m95 -115.47 32.97 5.72 Favored 'General case' 0 C--N 1.326 -0.425 0 N-CA-C 107.746 -1.205 . . . . 0.0 107.746 179.282 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 107.47 -153.31 16.85 Favored Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.687 1.242 . . . . 0.0 111.234 179.751 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 58' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.75 -172.02 1.21 Allowed 'Trans proline' 0 C--N 1.36 1.181 0 O-C-N 124.467 1.772 . . . . 0.0 111.023 -179.536 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 59' ' ' ILE . . . . . . . . . . . . . 3.1 mp 54.74 79.49 0.34 Allowed Pre-proline 0 C--N 1.324 -0.519 0 O-C-N 124.485 1.116 . . . . 0.0 109.056 -179.944 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 60' ' ' PRO . . . . . . . . . . . . . 23.5 Cg_endo -78.08 173.89 13.29 Favored 'Trans proline' 0 C--N 1.36 1.169 0 O-C-N 124.446 1.761 . . . . 0.0 111.25 -179.529 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 61' ' ' MET . . . . . 0.419 ' HG3' ' HD2' ' A' ' 62' ' ' PRO . 6.8 ttp -76.29 132.13 73.76 Favored Pre-proline 0 C--N 1.325 -0.461 0 O-C-N 124.428 1.08 . . . . 0.0 110.873 179.92 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 62' ' ' PRO . . . . . 0.419 ' HD2' ' HG3' ' A' ' 61' ' ' MET . 6.9 Cg_endo -57.17 135.4 70.28 Favored 'Trans proline' 0 C--N 1.361 1.225 0 O-C-N 124.566 1.824 . . . . 0.0 110.673 179.541 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 63' ' ' PRO . . . . . . . . . . . . . 22.4 Cg_endo -73.95 100.05 1.24 Allowed 'Trans proline' 0 C--N 1.36 1.148 0 O-C-N 124.455 1.766 . . . . 0.0 110.864 -179.748 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 64' ' ' ASN . . . . . 0.428 ' HB3' ' HG3' ' A' ' 49' ' ' LYS . 0.9 OUTLIER -65.97 -169.21 0.06 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.507 1.129 . . . . 0.0 109.291 179.972 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -155.21 104.06 2.41 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.601 1.188 . . . . 0.0 109.49 179.96 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 66' ' ' VAL . . . . . 0.525 HG12 ' N ' ' A' ' 67' ' ' SER . 68.9 t -141.79 -96.58 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.492 1.12 . . . . 0.0 109.213 179.92 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 67' ' ' SER . . . . . 0.525 ' N ' HG12 ' A' ' 66' ' ' VAL . 0.4 OUTLIER -172.29 -91.14 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.455 1.097 . . . . 0.0 109.922 179.974 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 15.4 t0 -178.79 55.79 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.566 1.166 . . . . 0.0 109.578 179.921 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 24.8 t70 -146.27 -64.53 0.3 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.554 1.159 . . . . 0.0 108.982 179.502 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 47.4 tt0 -60.57 -22.39 63.64 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.665 1.228 . . . . 0.0 109.424 178.892 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 71' ' ' ALA . . . . . 0.614 ' HB2' ' HD3' ' A' ' 49' ' ' LYS . . . -88.68 -34.03 17.36 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.598 1.186 . . . . 0.0 109.112 179.51 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 14.5 mt-30 -58.04 -32.4 67.95 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.545 1.153 . . . . 0.0 110.633 -179.851 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 73' ' ' THR . . . . . 0.486 HG23 ' HB3' ' A' ' 3' ' ' PRO . 0.4 OUTLIER -80.49 -40.16 26.64 Favored 'General case' 0 C--N 1.326 -0.422 0 O-C-N 124.409 1.068 . . . . 0.0 111.146 -179.607 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 74' ' ' LEU . . . . . 0.431 ' HG ' HG22 ' A' ' 73' ' ' THR . 14.4 mt -76.83 -11.63 59.85 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.397 1.061 . . . . 0.0 111.057 -179.39 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -89.9 -22.45 22.01 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.262 0.976 . . . . 0.0 109.89 179.989 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -83.75 -18.63 37.17 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.536 1.147 . . . . 0.0 110.062 -179.543 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 77' ' ' TRP . . . . . 0.618 ' CE3' ' CE2' ' A' ' 27' ' ' TYR . 28.8 t90 -84.82 -35.88 22.01 Favored 'General case' 0 C--N 1.323 -0.566 0 N-CA-C 107.309 -1.367 . . . . 0.0 107.309 179.742 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 78' ' ' VAL . . . . . 0.584 HG23 ' CE2' ' A' ' 27' ' ' TYR . 1.2 t -69.05 -51.71 41.18 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.553 0 N-CA-C 107.242 -1.392 . . . . 0.0 107.242 177.854 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 79' ' ' LEU . . . . . 0.538 ' N ' HG12 ' A' ' 78' ' ' VAL . 0.4 OUTLIER -59.12 -63.52 1.27 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 113.972 -1.467 . . . . 0.0 109.678 -179.139 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -120.61 93.05 3.91 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.294 0.996 . . . . 0.0 110.272 -179.989 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 81' ' ' GLN . . . . . . . . . . . . . 5.8 tt0 -59.67 -75.71 0.05 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.537 1.148 . . . . 0.0 110.65 179.942 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 9.3 pttt . . . . . 0 C--N 1.325 -0.47 0 O-C-N 124.48 1.112 . . . . 0.0 109.321 -179.883 . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 2' ' ' ASP . . . . . 0.532 ' N ' ' CD ' ' A' ' 3' ' ' PRO . 0.0 OUTLIER . . . . . 0 N--CA 1.451 -0.403 0 CA-C-O 119.823 -0.132 . . . . 0.0 110.724 . . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 3' ' ' PRO . . . . . 0.532 ' CD ' ' N ' ' A' ' 2' ' ' ASP . 1.6 Cg_endo -70.28 -14.07 34.06 Favored 'Trans proline' 0 C--N 1.359 1.09 0 O-C-N 124.186 1.624 . . . . 0.0 111.937 -179.464 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 4' ' ' GLU . . . . . 0.514 ' HG3' ' CZ2' ' A' ' 77' ' ' TRP . 4.4 mt-10 -78.61 -30.26 46.45 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.721 1.263 . . . . 0.0 108.284 178.563 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 3.8 t -82.1 -26.64 9.24 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.402 0 CA-C-N 113.98 -1.464 . . . . 0.0 108.864 179.11 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 6' ' ' LEU . . . . . 0.634 ' HB3' HD21 ' A' ' 74' ' ' LEU . 1.7 mt -83.22 -28.73 29.04 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.548 1.155 . . . . 0.0 108.662 179.373 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 7' ' ' PHE . . . . . 0.805 ' CZ ' HG23 ' A' ' 13' ' ' VAL . 15.8 t80 -68.91 -23.39 64.17 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.724 1.265 . . . . 0.0 110.922 179.908 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -103.67 -5.1 22.93 Favored 'General case' 0 C--N 1.326 -0.42 0 O-C-N 124.544 1.153 . . . . 0.0 110.807 179.878 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -87.54 -66.0 0.96 Allowed 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.127 0.892 . . . . 0.0 110.506 -179.523 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -51.82 -53.21 42.72 Favored 'General case' 0 C--N 1.326 -0.423 0 O-C-N 124.259 0.974 . . . . 0.0 110.335 -179.29 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 131.93 27.75 0.64 Allowed Glycine 0 CA--C 1.529 0.909 0 O-C-N 124.416 1.073 . . . . 0.0 113.96 179.304 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 12' ' ' CYS . . . . . 0.623 ' HB2' ' CD1' ' A' ' 7' ' ' PHE . 1.2 m -66.73 -42.1 86.83 Favored 'General case' 0 CA--C 1.544 0.72 0 N-CA-C 108.05 -1.093 . . . . 0.0 108.05 179.515 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 13' ' ' VAL . . . . . 0.805 HG23 ' CZ ' ' A' ' 7' ' ' PHE . 0.3 OUTLIER -65.71 -6.78 4.03 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.547 0 O-C-N 125.377 1.673 . . . . 0.0 113.134 -177.29 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -54.13 -25.6 23.06 Favored 'General case' 0 CA--C 1.539 0.527 0 O-C-N 125.774 1.921 . . . . 0.0 107.84 178.447 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 15' ' ' CYS . . . . . 0.438 ' HB2' ' HB ' ' A' ' 23' ' ' VAL . 0.5 OUTLIER -155.26 16.53 0.41 Allowed 'General case' 0 N--CA 1.45 -0.441 0 O-C-N 124.743 1.277 . . . . 0.0 111.647 -179.149 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 16' ' ' HIS . . . . . 0.547 ' CE1' ' HD2' ' A' ' 25' ' ' PRO . 6.4 m-70 -115.3 164.08 14.76 Favored 'General case' 0 CA--C 1.539 0.533 0 O-C-N 123.738 0.649 . . . . 0.0 110.572 179.502 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 17' ' ' ALA . . . . . 0.426 ' HB3' ' O ' ' A' ' 20' ' ' THR . . . -153.13 155.68 37.21 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 114.182 -1.372 . . . . 0.0 108.309 178.02 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 18' ' ' ILE . . . . . 0.64 HD12 ' O ' ' A' ' 18' ' ' ILE . 0.5 OUTLIER -90.73 -26.58 5.16 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 O-C-N 124.675 1.234 . . . . 0.0 111.267 -179.341 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 3.4 p30 -133.17 22.29 4.1 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.501 1.126 . . . . 0.0 110.523 -179.755 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 20' ' ' THR . . . . . 0.426 ' O ' ' HB3' ' A' ' 17' ' ' ALA . 0.2 OUTLIER -145.14 160.13 41.91 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.44 1.087 . . . . 0.0 109.822 179.367 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 21' ' ' LYS . . . . . 0.438 ' HE2' ' HG2' ' A' ' 58' ' ' PRO . 0.0 OUTLIER -121.79 123.94 42.99 Favored 'General case' 0 C--N 1.326 -0.425 0 O-C-N 124.593 1.183 . . . . 0.0 109.955 -179.369 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 22' ' ' MET . . . . . . . . . . . . . 21.0 mtp -124.21 -96.76 0.45 Allowed 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.444 1.09 . . . . 0.0 110.037 179.089 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 23' ' ' VAL . . . . . 0.438 ' HB ' ' HB2' ' A' ' 15' ' ' CYS . 2.2 t -94.27 -39.25 10.23 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 N-CA-C 107.462 -1.31 . . . . 0.0 107.462 178.064 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -103.92 172.46 20.82 Favored Glycine 0 CA--C 1.532 1.096 0 CA-C-N 114.166 -1.379 . . . . 0.0 110.763 179.685 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 25' ' ' PRO . . . . . 0.547 ' HD2' ' CE1' ' A' ' 16' ' ' HIS . 72.2 Cg_endo -74.45 153.1 44.46 Favored 'Trans proline' 0 C--N 1.359 1.094 0 O-C-N 124.392 1.733 . . . . 0.0 111.508 -179.234 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -75.71 139.05 41.7 Favored 'General case' 0 C--N 1.325 -0.493 0 N-CA-C 106.919 -1.511 . . . . 0.0 106.919 176.865 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 27' ' ' TYR . . . . . 0.72 ' CE2' HG23 ' A' ' 78' ' ' VAL . 15.1 m-85 -67.93 -26.16 65.83 Favored 'General case' 0 C--N 1.324 -0.542 0 O-C-N 124.959 1.412 . . . . 0.0 110.851 -178.812 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 17.3 ttmt -74.49 -24.19 58.98 Favored 'General case' 0 C--N 1.326 -0.414 0 O-C-N 124.996 1.435 . . . . 0.0 109.959 -179.63 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 29' ' ' ASP . . . . . 0.517 ' HB3' ' CH2' ' A' ' 56' ' ' TRP . 29.0 m-20 -81.99 -43.8 17.54 Favored 'General case' 0 C--N 1.325 -0.471 0 N-CA-C 107.633 -1.247 . . . . 0.0 107.633 178.5 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 30' ' ' VAL . . . . . 0.684 HG11 HG13 ' A' ' 78' ' ' VAL . 71.0 t -63.45 -28.16 44.47 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.474 0 CA-C-N 114.126 -1.397 . . . . 0.0 107.359 177.511 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 31' ' ' ALA . . . . . 0.469 ' O ' ' HB3' ' A' ' 35' ' ' ALA . . . -73.35 -34.41 65.61 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 114.163 -1.38 . . . . 0.0 108.819 179.412 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -64.15 -9.86 19.36 Favored 'General case' 0 CA--C 1.544 0.72 0 O-C-N 124.741 1.276 . . . . 0.0 109.852 179.924 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 33' ' ' LYS . . . . . 0.5 ' O ' ' CB ' ' A' ' 34' ' ' PHE . 1.2 mtmm -147.6 87.14 1.62 Allowed 'General case' 0 N--CA 1.447 -0.584 0 O-C-N 125.316 1.635 . . . . 0.0 111.261 178.744 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 34' ' ' PHE . . . . . 0.5 ' CB ' ' O ' ' A' ' 33' ' ' LYS . 10.3 m-30 130.3 -11.51 0.0 OUTLIER 'General case' 0 CA--C 1.546 0.795 0 C-N-CA 125.823 1.649 . . . . 0.0 112.363 177.978 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 35' ' ' ALA . . . . . 0.469 ' HB3' ' O ' ' A' ' 31' ' ' ALA . . . -93.05 31.33 1.45 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.691 1.245 . . . . 0.0 110.084 -179.859 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . -163.35 31.25 0.27 Allowed Glycine 0 CA--C 1.538 1.489 0 N-CA-C 109.506 -1.438 . . . . 0.0 109.506 179.243 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 37' ' ' GLN . . . . . 0.487 ' O ' ' HB3' ' A' ' 38' ' ' ALA . 2.5 tp60 176.62 -55.82 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 113.776 -1.212 . . . . 0.0 110.617 -178.761 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 38' ' ' ALA . . . . . 0.527 ' HA ' HD11 ' A' ' 79' ' ' LEU . . . 95.27 -95.72 0.0 OUTLIER 'General case' 0 CA--C 1.544 0.734 0 N-CA-C 107.306 -1.368 . . . . 0.0 107.306 -177.469 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 71.68 -0.83 33.27 Favored Glycine 0 CA--C 1.529 0.932 0 O-C-N 124.872 1.357 . . . . 0.0 113.65 178.396 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -174.34 80.85 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.484 0.755 . . . . 0.0 111.13 -179.862 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 41' ' ' GLU . . . . . 0.402 ' HA ' ' HB3' ' A' ' 44' ' ' LEU . 0.2 OUTLIER -123.68 10.23 9.01 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.486 1.116 . . . . 0.0 111.052 179.573 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -102.41 -63.53 1.15 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.312 1.008 . . . . 0.0 108.376 179.311 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 40.2 mt-10 -77.71 0.67 22.63 Favored 'General case' 0 CA--C 1.539 0.557 0 O-C-N 124.858 1.349 . . . . 0.0 110.471 177.438 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 44' ' ' LEU . . . . . 0.402 ' HB3' ' HA ' ' A' ' 41' ' ' GLU . 1.4 tm? -87.11 -34.46 19.1 Favored 'General case' 0 C--N 1.323 -0.563 0 N-CA-C 106.423 -1.695 . . . . 0.0 106.423 176.952 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -73.92 -23.86 59.59 Favored 'General case' 0 CA--C 1.536 0.421 0 CA-C-N 114.085 -1.416 . . . . 0.0 108.258 177.246 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 46' ' ' GLN . . . . . . . . . . . . . 2.5 tm0? -78.37 -20.75 50.58 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-N 114.379 -1.282 . . . . 0.0 109.77 -179.645 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 47' ' ' ARG . . . . . 0.726 ' HG2' HH11 ' A' ' 47' ' ' ARG . 22.8 mmt-85 -73.6 -35.31 65.37 Favored 'General case' 0 CA--C 1.539 0.532 0 O-C-N 125.294 1.621 . . . . 0.0 108.011 177.427 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 2.2 mt -64.92 -24.98 36.67 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 125.102 1.501 . . . . 0.0 110.676 179.492 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 49' ' ' LYS . . . . . 0.606 ' HB2' HG23 ' A' ' 66' ' ' VAL . 3.5 ptpp? -118.37 2.33 11.87 Favored 'General case' 0 N--CA 1.449 -0.485 0 N-CA-C 113.904 1.076 . . . . 0.0 113.904 -177.722 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 16.9 t30 -129.54 -5.06 4.73 Favored 'General case' 0 N--CA 1.45 -0.431 0 O-C-N 124.267 0.979 . . . . 0.0 111.804 -179.545 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 76.67 149.36 3.01 Favored Glycine 0 CA--C 1.529 0.931 0 O-C-N 124.289 0.993 . . . . 0.0 111.694 179.636 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 13.0 m -81.82 -152.51 0.1 Allowed 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.47 0.747 . . . . 0.0 109.561 179.808 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -160.29 39.61 0.18 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.452 1.095 . . . . 0.0 110.173 -179.858 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 73.06 76.33 0.66 Allowed Glycine 0 CA--C 1.531 1.056 0 CA-C-N 114.82 -1.082 . . . . 0.0 110.59 -179.782 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 48.7 t -93.14 -40.64 12.11 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.427 0 O-C-N 124.491 0.76 . . . . 0.0 110.177 -179.457 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 56' ' ' TRP . . . . . 0.517 ' CH2' ' HB3' ' A' ' 29' ' ' ASP . 8.1 m95 -99.17 -24.0 15.02 Favored 'General case' 0 C--N 1.326 -0.425 0 O-C-N 124.547 1.155 . . . . 0.0 109.225 -179.481 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 146.58 -67.13 0.41 Allowed Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.402 1.064 . . . . 0.0 112.821 179.358 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 58' ' ' PRO . . . . . 0.438 ' HG2' ' HE2' ' A' ' 21' ' ' LYS . 17.3 Cg_exo -51.36 169.65 0.2 Allowed 'Trans proline' 0 C--N 1.361 1.2 0 O-C-N 124.458 1.767 . . . . 0.0 112.326 -178.729 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 59' ' ' ILE . . . . . 0.475 HG13 ' CD ' ' A' ' 60' ' ' PRO . 0.3 OUTLIER -49.72 155.49 1.43 Allowed Pre-proline 0 C--N 1.327 -0.396 0 CA-C-N 114.874 -1.057 . . . . 0.0 109.99 -179.805 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 60' ' ' PRO . . . . . 0.475 ' CD ' HG13 ' A' ' 59' ' ' ILE . 19.8 Cg_endo -77.43 160.03 32.31 Favored 'Trans proline' 0 C--N 1.36 1.161 0 O-C-N 124.331 1.7 . . . . 0.0 111.884 -179.215 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 61' ' ' MET . . . . . 0.44 ' HG3' ' HD2' ' A' ' 62' ' ' PRO . 5.3 ttp -64.14 130.35 94.5 Favored Pre-proline 0 C--N 1.326 -0.456 0 O-C-N 124.38 1.05 . . . . 0.0 111.547 -179.958 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 62' ' ' PRO . . . . . 0.44 ' HD2' ' HG3' ' A' ' 61' ' ' MET . 0.9 OUTLIER -50.85 116.08 2.4 Favored 'Trans proline' 0 C--N 1.361 1.185 0 O-C-N 124.49 1.784 . . . . 0.0 110.205 179.268 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 63' ' ' PRO . . . . . . . . . . . . . 11.7 Cg_endo -64.9 107.87 0.99 Allowed 'Trans proline' 0 C--N 1.36 1.15 0 O-C-N 124.292 1.68 . . . . 0.0 110.951 -179.392 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 28.7 m-20 -96.29 -160.9 0.83 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.416 1.072 . . . . 0.0 109.032 179.757 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -144.35 98.6 3.23 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.432 1.082 . . . . 0.0 109.493 -179.936 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 66' ' ' VAL . . . . . 0.606 HG23 ' HB2' ' A' ' 49' ' ' LYS . 1.5 t -108.79 170.19 2.94 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.491 1.119 . . . . 0.0 109.237 179.985 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 67' ' ' SER . . . . . 0.422 ' H ' HG12 ' A' ' 66' ' ' VAL . 14.6 m -93.54 22.26 5.54 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.484 1.115 . . . . 0.0 110.545 -179.723 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 68' ' ' ASP . . . . . 0.436 ' HA ' ' CE ' ' A' ' 49' ' ' LYS . 31.0 t0 52.89 57.46 6.33 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.344 1.028 . . . . 0.0 109.813 179.876 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 4.4 m-20 -153.03 -68.51 0.15 Allowed 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 114.727 -1.124 . . . . 0.0 108.366 179.19 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 70' ' ' GLU . . . . . 0.508 ' O ' HD23 ' A' ' 74' ' ' LEU . 3.7 mt-10 -54.28 -23.17 13.99 Favored 'General case' 0 C--N 1.326 -0.431 0 O-C-N 124.824 1.327 . . . . 0.0 109.026 178.118 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -81.19 -47.57 13.25 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 114.567 -1.197 . . . . 0.0 108.71 179.011 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -47.67 -34.65 8.39 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.7 1.25 . . . . 0.0 112.308 -179.696 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 73' ' ' THR . . . . . 0.598 HG22 HD22 ' A' ' 74' ' ' LEU . 1.0 OUTLIER -77.64 -45.56 24.66 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.15 0.906 . . . . 0.0 110.826 -179.599 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 74' ' ' LEU . . . . . 0.634 HD21 ' HB3' ' A' ' 6' ' ' LEU . 3.9 mm? -73.76 -6.71 48.6 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.572 1.17 . . . . 0.0 110.556 -179.982 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -94.49 -19.78 20.25 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.157 0.911 . . . . 0.0 110.047 -179.642 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -88.18 -13.43 41.18 Favored 'General case' 0 C--N 1.323 -0.573 0 O-C-N 124.605 1.191 . . . . 0.0 108.996 179.124 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 77' ' ' TRP . . . . . 0.608 ' CE3' ' CE2' ' A' ' 27' ' ' TYR . 27.7 t90 -90.15 -43.71 10.26 Favored 'General case' 0 C--N 1.324 -0.535 0 N-CA-C 106.458 -1.682 . . . . 0.0 106.458 178.774 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 78' ' ' VAL . . . . . 0.72 HG23 ' CE2' ' A' ' 27' ' ' TYR . 0.9 OUTLIER -61.91 -50.91 78.24 Favored 'Isoleucine or valine' 0 CA--C 1.544 0.718 0 N-CA-C 105.977 -1.861 . . . . 0.0 105.977 176.702 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 79' ' ' LEU . . . . . 0.567 ' N ' HG12 ' A' ' 78' ' ' VAL . 1.5 tp -57.92 -64.42 0.91 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 113.459 -1.7 . . . . 0.0 109.37 -179.658 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 31.2 t -112.56 123.49 50.41 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.385 1.053 . . . . 0.0 110.144 -179.914 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 81' ' ' GLN . . . . . . . . . . . . . 2.4 mt-30 -51.43 -76.53 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.15 0.906 . . . . 0.0 110.182 -179.95 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--N 1.326 -0.451 0 O-C-N 124.535 1.147 . . . . 0.0 109.278 179.889 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 2' ' ' ASP . . . . . 0.477 ' N ' ' CD ' ' A' ' 3' ' ' PRO . 0.3 OUTLIER . . . . . 0 N--CA 1.452 -0.328 0 N-CA-C 110.091 -0.337 . . . . 0.0 110.091 . . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 3' ' ' PRO . . . . . 0.477 ' CD ' ' N ' ' A' ' 2' ' ' ASP . 25.6 Cg_endo -80.76 -26.95 3.44 Favored 'Trans proline' 0 C--N 1.358 1.032 0 O-C-N 124.476 1.777 . . . . 0.0 110.516 -179.654 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 12.8 tm-20 -81.14 -19.96 42.38 Favored 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.686 1.241 . . . . 0.0 109.953 179.061 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 5.2 t -91.63 -27.12 4.88 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.52 0 O-C-N 124.476 1.11 . . . . 0.0 109.106 179.889 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 6' ' ' LEU . . . . . 0.416 ' HA ' ' HB2' ' A' ' 9' ' ' ASN . 3.7 tt -83.2 -33.1 26.22 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.619 1.199 . . . . 0.0 107.927 178.821 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 7' ' ' PHE . . . . . 0.66 ' CD2' ' HB3' ' A' ' 12' ' ' CYS . 7.9 t80 -62.71 -47.31 84.16 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 114.323 -1.308 . . . . 0.0 110.68 179.469 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 8.7 tttt -86.29 -15.72 39.77 Favored 'General case' 0 C--N 1.327 -0.402 0 O-C-N 124.837 1.336 . . . . 0.0 111.9 -178.93 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 9' ' ' ASN . . . . . 0.416 ' HB2' ' HA ' ' A' ' 6' ' ' LEU . 1.4 t-20 -52.83 -64.81 0.7 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.35 1.031 . . . . 0.0 108.864 179.931 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 1.3 ptpp? 175.23 80.43 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.674 1.234 . . . . 0.0 109.089 179.707 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 140.03 97.01 0.33 Allowed Glycine 0 CA--C 1.531 1.076 0 O-C-N 124.649 1.218 . . . . 0.0 111.754 179.846 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 12' ' ' CYS . . . . . 0.66 ' HB3' ' CD2' ' A' ' 7' ' ' PHE . 3.7 m 140.67 -64.27 0.0 OUTLIER 'General case' 0 CA--C 1.558 1.264 0 N-CA-C 104.806 -2.294 . . . . 0.0 104.806 -179.575 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 13' ' ' VAL . . . . . 0.597 ' HB ' ' CE1' ' A' ' 7' ' ' PHE . 1.8 p -69.21 -8.33 9.95 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.537 0 O-C-N 125.51 1.756 . . . . 0.0 110.974 178.967 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -48.08 -32.24 6.53 Favored 'General case' 0 CA--C 1.541 0.61 0 O-C-N 126.502 2.376 . . . . 0.0 106.522 177.984 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 15' ' ' CYS . . . . . 0.405 ' HB3' HG21 ' A' ' 23' ' ' VAL . 0.0 OUTLIER -152.1 24.7 0.64 Allowed 'General case' 0 C--O 1.238 0.474 0 CA-C-N 113.858 -1.519 . . . . 0.0 111.849 178.77 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 16' ' ' HIS . . . . . 0.446 ' HB2' ' O ' ' A' ' 12' ' ' CYS . 33.3 m-70 -120.39 -179.02 3.83 Favored 'General case' 0 N--CA 1.445 -0.71 0 CA-C-O 122.737 1.256 . . . . 0.0 113.968 179.934 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -158.13 171.58 19.96 Favored 'General case' 0 CA--C 1.54 0.577 0 CA-C-N 113.285 -1.78 . . . . 0.0 108.511 179.49 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 18' ' ' ILE . . . . . 0.629 HD13 ' CB ' ' A' ' 27' ' ' TYR . 0.2 OUTLIER -134.86 53.76 0.33 Allowed 'Isoleucine or valine' 0 CA--C 1.541 0.605 0 N-CA-C 107.511 -1.292 . . . . 0.0 107.511 178.314 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 1.9 p30 160.7 -19.29 0.0 OUTLIER 'General case' 0 N--CA 1.451 -0.397 0 CA-C-N 113.621 -1.627 . . . . 0.0 111.545 178.627 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -127.03 175.31 8.2 Favored 'General case' 0 C--N 1.324 -0.531 0 O-C-N 124.3 1.0 . . . . 0.0 111.232 -179.275 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 5.2 ptmm? -118.14 142.08 47.81 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 114.895 -1.048 . . . . 0.0 109.927 -179.786 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 22' ' ' MET . . . . . . . . . . . . . 20.9 mtt -139.77 -89.94 0.19 Allowed 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 114.911 -1.04 . . . . 0.0 110.272 179.46 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 23' ' ' VAL . . . . . 0.405 HG21 ' HB3' ' A' ' 15' ' ' CYS . 2.7 t -101.09 -37.31 5.34 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 N-CA-C 107.942 -1.133 . . . . 0.0 107.942 178.416 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -114.09 -168.39 16.36 Favored Glycine 0 CA--C 1.532 1.125 0 O-C-N 124.847 1.342 . . . . 0.0 111.354 -179.723 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 25' ' ' PRO . . . . . . . . . . . . . 87.4 Cg_endo -81.07 141.55 13.13 Favored 'Trans proline' 0 N--CA 1.448 -1.192 0 C-N-CA 122.167 1.911 . . . . 0.0 113.528 -178.885 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -63.51 131.57 48.53 Favored 'General case' 0 C--N 1.325 -0.489 0 N-CA-C 105.844 -1.91 . . . . 0.0 105.844 175.588 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 27' ' ' TYR . . . . . 0.737 ' CE2' HG23 ' A' ' 78' ' ' VAL . 5.9 m-85 -59.29 -19.73 48.52 Favored 'General case' 0 C--N 1.324 -0.537 0 O-C-N 124.813 1.321 . . . . 0.0 110.511 -178.892 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 1.2 tttt -80.41 -39.16 28.84 Favored 'General case' 0 CA--C 1.536 0.408 0 O-C-N 124.443 1.09 . . . . 0.0 109.954 179.941 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 29' ' ' ASP . . . . . 0.531 ' HB3' ' CH2' ' A' ' 56' ' ' TRP . 0.2 OUTLIER -65.4 -34.05 77.39 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.74 1.275 . . . . 0.0 108.162 179.582 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 30' ' ' VAL . . . . . 0.627 HG11 HG13 ' A' ' 78' ' ' VAL . 6.9 t -73.16 -31.63 35.45 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.544 0 N-CA-C 106.883 -1.525 . . . . 0.0 106.883 177.457 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 31' ' ' ALA . . . . . 0.546 ' HA ' ' HB2' ' A' ' 35' ' ' ALA . . . -89.37 15.33 9.32 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 114.022 -1.445 . . . . 0.0 109.644 179.091 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -129.55 2.99 5.03 Favored 'General case' 0 CA--C 1.537 0.446 0 O-C-N 124.064 0.853 . . . . 0.0 111.272 179.407 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -135.86 -24.46 1.31 Allowed 'General case' 0 N--CA 1.449 -0.484 0 O-C-N 124.781 1.301 . . . . 0.0 113.875 179.566 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 1.6 t80 -125.3 -1.32 7.61 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 123.805 0.691 . . . . 0.0 112.266 179.851 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 35' ' ' ALA . . . . . 0.546 ' HB2' ' HA ' ' A' ' 31' ' ' ALA . . . -76.3 -179.83 5.34 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.304 1.003 . . . . 0.0 108.968 179.051 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 49.17 23.76 4.26 Favored Glycine 0 CA--C 1.531 1.034 0 O-C-N 124.384 1.052 . . . . 0.0 111.14 179.972 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 78.8 mm-40 -135.84 -63.57 0.65 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.418 0.717 . . . . 0.0 110.344 -179.553 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . 56.02 -163.94 0.15 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.484 1.115 . . . . 0.0 109.239 -179.851 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 112.27 -37.7 3.56 Favored Glycine 0 CA--C 1.529 0.939 0 O-C-N 124.508 1.13 . . . . 0.0 110.936 -179.838 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -80.24 -95.04 0.04 OUTLIER 'General case' 0 C--N 1.326 -0.415 0 O-C-N 124.504 0.767 . . . . 0.0 109.484 -179.993 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER 51.06 18.81 0.59 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.175 0.922 . . . . 0.0 111.444 -179.508 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -124.61 -56.66 1.59 Allowed 'General case' 0 C--N 1.324 -0.509 0 N-CA-C 106.966 -1.494 . . . . 0.0 106.966 177.787 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 43' ' ' GLU . . . . . 0.435 ' HA ' ' HB3' ' A' ' 46' ' ' GLN . 3.9 tt0 -86.5 -4.59 59.2 Favored 'General case' 0 CA--C 1.542 0.642 0 O-C-N 125.346 1.654 . . . . 0.0 110.021 176.573 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 1.3 tm? -90.05 -34.28 16.0 Favored 'General case' 0 C--N 1.325 -0.478 0 N-CA-C 107.475 -1.305 . . . . 0.0 107.475 177.416 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -76.7 -23.0 53.14 Favored 'General case' 0 CA--C 1.537 0.471 0 O-C-N 124.919 1.387 . . . . 0.0 107.662 176.95 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 46' ' ' GLN . . . . . 0.435 ' HB3' ' HA ' ' A' ' 43' ' ' GLU . 28.3 tt0 -76.62 -21.95 54.81 Favored 'General case' 0 CA--C 1.536 0.422 0 CA-C-N 114.166 -1.379 . . . . 0.0 109.484 179.727 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 10.4 mmt180 -70.31 -36.49 74.34 Favored 'General case' 0 CA--C 1.545 0.751 0 O-C-N 125.36 1.663 . . . . 0.0 107.524 176.988 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 18.3 mt -78.52 -9.65 12.44 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 125.27 1.606 . . . . 0.0 111.12 179.694 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -118.16 -5.62 10.91 Favored 'General case' 0 N--CA 1.451 -0.38 0 O-C-N 123.903 0.752 . . . . 0.0 112.884 -178.385 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 50' ' ' ASN . . . . . 0.468 ' HA ' ' HB3' ' A' ' 63' ' ' PRO . 0.8 OUTLIER -138.02 -4.62 1.72 Allowed 'General case' 0 N--CA 1.45 -0.462 0 O-C-N 124.767 1.292 . . . . 0.0 113.027 -178.897 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 83.79 162.91 34.39 Favored Glycine 0 CA--C 1.53 0.988 0 O-C-N 124.108 0.88 . . . . 0.0 111.484 179.637 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -137.27 138.02 39.63 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.442 0.73 . . . . 0.0 109.782 179.803 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 53' ' ' GLN . . . . . 0.419 ' HB3' ' HB3' ' A' ' 60' ' ' PRO . 2.5 pt20 -141.3 90.9 2.34 Favored 'General case' 0 C--N 1.324 -0.53 0 O-C-N 124.551 1.157 . . . . 0.0 110.362 -179.838 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 129.73 66.53 0.11 Allowed Glycine 0 CA--C 1.532 1.095 0 O-C-N 124.441 1.088 . . . . 0.0 110.925 -179.985 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 55' ' ' VAL . . . . . 0.465 HG12 ' CD1' ' A' ' 56' ' ' TRP . 13.3 t -138.38 -76.98 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.63 0.841 . . . . 0.0 109.45 -179.885 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 56' ' ' TRP . . . . . 0.531 ' CH2' ' HB3' ' A' ' 29' ' ' ASP . 3.0 m95 -97.57 -26.51 14.77 Favored 'General case' 0 C--N 1.327 -0.401 0 O-C-N 124.452 1.095 . . . . 0.0 108.366 179.934 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 168.98 -156.42 27.71 Favored Glycine 0 CA--C 1.529 0.968 0 O-C-N 124.418 1.073 . . . . 0.0 111.146 179.77 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 58' ' ' PRO . . . . . . . . . . . . . 19.4 Cg_endo -72.34 -160.27 0.09 OUTLIER 'Trans proline' 0 C--N 1.36 1.167 0 O-C-N 124.561 1.822 . . . . 0.0 110.869 -179.956 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 59' ' ' ILE . . . . . . . . . . . . . 0.3 OUTLIER 60.22 83.54 0.21 Allowed Pre-proline 0 C--N 1.326 -0.439 0 O-C-N 124.578 1.174 . . . . 0.0 109.168 -179.934 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 60' ' ' PRO . . . . . 0.419 ' HB3' ' HB3' ' A' ' 53' ' ' GLN . 18.1 Cg_endo -74.36 160.99 41.16 Favored 'Trans proline' 0 C--N 1.36 1.178 0 O-C-N 124.481 1.78 . . . . 0.0 111.068 -179.553 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 61' ' ' MET . . . . . . . . . . . . . 10.1 ttp -90.05 113.46 57.28 Favored Pre-proline 0 C--N 1.325 -0.458 0 O-C-N 124.533 1.146 . . . . 0.0 110.9 179.994 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 62' ' ' PRO . . . . . . . . . . . . . 6.8 Cg_exo -49.18 109.7 0.29 Allowed 'Trans proline' 0 C--N 1.362 1.253 0 O-C-N 124.527 1.804 . . . . 0.0 110.753 -179.527 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 63' ' ' PRO . . . . . 0.468 ' HB3' ' HA ' ' A' ' 50' ' ' ASN . 17.9 Cg_exo -48.37 108.59 0.19 Allowed 'Trans proline' 0 C--N 1.361 1.216 0 O-C-N 124.461 1.769 . . . . 0.0 110.774 -179.815 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 66.0 t30 -79.31 -43.13 24.22 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.604 1.19 . . . . 0.0 109.787 -179.634 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . 65.4 97.56 0.05 OUTLIER 'General case' 0 C--N 1.324 -0.533 0 O-C-N 124.439 1.087 . . . . 0.0 109.618 -179.944 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 66' ' ' VAL . . . . . 0.457 HG21 ' HB2' ' A' ' 71' ' ' ALA . 0.5 OUTLIER -102.73 -146.85 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.331 1.019 . . . . 0.0 109.171 179.824 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 18.8 t -109.15 25.95 11.2 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.37 1.044 . . . . 0.0 110.108 -179.914 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER 45.77 32.06 1.16 Allowed 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.651 1.219 . . . . 0.0 110.149 179.971 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 34.3 t70 -141.33 -68.25 0.39 Allowed 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 114.579 -1.191 . . . . 0.0 108.309 179.073 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 70' ' ' GLU . . . . . 0.425 ' O ' HD12 ' A' ' 74' ' ' LEU . 0.2 OUTLIER -54.02 -23.65 14.22 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.878 1.361 . . . . 0.0 108.963 178.127 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 71' ' ' ALA . . . . . 0.457 ' HB2' HG21 ' A' ' 66' ' ' VAL . . . -80.27 -46.72 15.72 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 114.487 -1.233 . . . . 0.0 108.669 179.141 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 1.2 tt0 -50.57 -24.04 2.96 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.709 1.256 . . . . 0.0 110.576 179.816 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 73' ' ' THR . . . . . 0.418 HG22 ' N ' ' A' ' 74' ' ' LEU . 0.5 OUTLIER -72.9 -52.18 15.7 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.483 1.115 . . . . 0.0 110.178 179.774 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 74' ' ' LEU . . . . . 0.425 HD12 ' O ' ' A' ' 70' ' ' GLU . 1.1 mp -74.58 -9.84 58.97 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.566 1.166 . . . . 0.0 110.352 179.643 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -79.82 -25.93 40.67 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.271 0.982 . . . . 0.0 109.319 -179.972 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 2.1 pttp -87.23 -19.17 28.74 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.701 1.251 . . . . 0.0 109.648 179.736 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 77' ' ' TRP . . . . . 0.517 ' CE3' ' CE2' ' A' ' 27' ' ' TYR . 29.5 t90 -83.48 -42.11 17.27 Favored 'General case' 0 C--N 1.324 -0.513 0 N-CA-C 106.687 -1.597 . . . . 0.0 106.687 179.069 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 78' ' ' VAL . . . . . 0.737 HG23 ' CE2' ' A' ' 27' ' ' TYR . 0.9 OUTLIER -61.28 -52.14 64.86 Favored 'Isoleucine or valine' 0 CA--C 1.543 0.675 0 N-CA-C 106.156 -1.794 . . . . 0.0 106.156 177.282 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 79' ' ' LEU . . . . . 0.554 ' N ' HG12 ' A' ' 78' ' ' VAL . 3.5 mt -51.03 -70.3 0.09 Allowed 'General case' 0 N--CA 1.451 -0.413 0 O-C-N 125.218 1.574 . . . . 0.0 108.977 179.753 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 2.1 m -85.36 -133.21 0.05 Allowed 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 114.213 -1.358 . . . . 0.0 109.289 -179.901 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 81' ' ' GLN . . . . . . . . . . . . . 13.4 tt0 -154.85 -43.89 0.09 Allowed 'General case' 0 C--N 1.324 -0.53 0 O-C-N 124.325 1.015 . . . . 0.0 110.606 179.987 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 4.6 tttt . . . . . 0 C--N 1.326 -0.446 0 O-C-N 124.339 1.024 . . . . 0.0 109.09 179.995 . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 2' ' ' ASP . . . . . 0.449 ' N ' ' HD3' ' A' ' 3' ' ' PRO . 0.3 OUTLIER . . . . . 0 N--CA 1.453 -0.28 0 N-CA-C 109.06 -0.719 . . . . 0.0 109.06 . . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 3' ' ' PRO . . . . . 0.525 ' HB2' ' CG ' ' A' ' 77' ' ' TRP . 37.9 Cg_endo -84.32 -25.32 2.18 Favored 'Trans proline' 0 C--N 1.358 1.045 0 O-C-N 124.653 1.87 . . . . 0.0 109.859 179.988 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 20.3 mt-10 -81.08 -20.96 40.41 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.855 1.347 . . . . 0.0 109.461 178.524 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 5' ' ' VAL . . . . . 0.432 ' HB ' ' HB2' ' A' ' 2' ' ' ASP . 0.9 OUTLIER -85.69 -35.95 10.16 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.801 1.313 . . . . 0.0 108.619 179.227 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 6' ' ' LEU . . . . . 0.453 ' HG ' HD21 ' A' ' 74' ' ' LEU . 15.2 tp -73.32 -38.59 65.75 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.588 1.18 . . . . 0.0 108.727 179.394 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 7' ' ' PHE . . . . . 0.671 ' CD2' ' HB3' ' A' ' 12' ' ' CYS . 1.3 t80 -71.37 -14.78 62.29 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.682 1.239 . . . . 0.0 110.94 179.382 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 37.6 tttt -115.42 12.84 16.39 Favored 'General case' 0 C--N 1.326 -0.42 0 O-C-N 124.239 0.962 . . . . 0.0 111.748 -179.239 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 40.4 m-20 -95.22 40.64 1.1 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.149 0.906 . . . . 0.0 108.629 179.375 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER 62.66 69.1 0.61 Allowed 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 114.569 -1.196 . . . . 0.0 108.718 -179.72 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 158.88 93.67 0.1 OUTLIER Glycine 0 CA--C 1.532 1.124 0 O-C-N 124.577 1.173 . . . . 0.0 111.374 -179.708 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 12' ' ' CYS . . . . . 0.671 ' HB3' ' CD2' ' A' ' 7' ' ' PHE . 12.1 m 133.89 -60.21 0.0 OUTLIER 'General case' 0 CA--C 1.556 1.174 0 N-CA-C 104.664 -2.347 . . . . 0.0 104.664 -178.993 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 13' ' ' VAL . . . . . 0.662 HG23 ' CZ ' ' A' ' 7' ' ' PHE . 0.5 OUTLIER -71.02 -5.8 6.28 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 125.524 1.765 . . . . 0.0 110.218 177.899 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -46.93 -30.21 2.44 Favored 'General case' 0 CA--C 1.541 0.621 0 O-C-N 126.223 2.202 . . . . 0.0 106.649 177.426 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 15' ' ' CYS . . . . . 0.426 ' N ' ' C ' ' A' ' 13' ' ' VAL . 0.8 OUTLIER -167.96 37.66 0.03 OUTLIER 'General case' 0 C--O 1.238 0.49 0 O-C-N 125.594 1.809 . . . . 0.0 113.849 178.321 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 16' ' ' HIS . . . . . 0.418 ' O ' ' HB3' ' A' ' 17' ' ' ALA . 5.2 m80 -108.93 -99.93 0.38 Allowed 'General case' 0 N--CA 1.452 -0.361 0 N-CA-C 113.972 1.101 . . . . 0.0 113.972 179.83 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 17' ' ' ALA . . . . . 0.418 ' HB3' ' O ' ' A' ' 16' ' ' HIS . . . 102.37 152.11 0.01 OUTLIER 'General case' 0 CA--C 1.545 0.78 0 N-CA-C 107.178 -1.415 . . . . 0.0 107.178 -176.916 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 18' ' ' ILE . . . . . 0.617 HD12 ' O ' ' A' ' 18' ' ' ILE . 0.5 OUTLIER -99.81 -24.93 4.01 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.44 0 O-C-N 125.021 1.451 . . . . 0.0 112.299 -178.075 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 28.0 t0 -136.56 27.98 3.03 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.414 1.071 . . . . 0.0 109.191 179.754 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -144.96 159.67 42.56 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.609 1.193 . . . . 0.0 110.131 179.71 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 21' ' ' LYS . . . . . 0.453 ' CB ' ' NZ ' ' A' ' 21' ' ' LYS . 1.0 OUTLIER -112.73 165.51 12.22 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.546 1.154 . . . . 0.0 109.163 179.999 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 22' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -175.08 -88.56 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.428 0 O-C-N 124.473 1.108 . . . . 0.0 110.691 179.839 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 1.5 t -112.97 -36.81 2.57 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.378 1.049 . . . . 0.0 108.83 179.746 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -111.98 173.52 15.63 Favored Glycine 0 CA--C 1.532 1.135 0 CA-C-N 114.569 -1.196 . . . . 0.0 111.432 -179.183 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 25' ' ' PRO . . . . . . . . . . . . . 58.9 Cg_endo -72.06 146.74 47.37 Favored 'Trans proline' 0 C--N 1.359 1.117 0 C-N-CA 121.976 1.784 . . . . 0.0 111.684 -179.342 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -78.76 142.16 37.23 Favored 'General case' 0 C--N 1.325 -0.49 0 N-CA-C 106.688 -1.597 . . . . 0.0 106.688 177.11 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 27' ' ' TYR . . . . . 0.648 ' CE2' ' CE3' ' A' ' 77' ' ' TRP . 11.8 m-85 -68.33 -18.38 64.48 Favored 'General case' 0 C--N 1.323 -0.559 0 O-C-N 124.725 1.266 . . . . 0.0 111.817 -178.443 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 34.6 tttt -86.68 -22.06 26.32 Favored 'General case' 0 C--N 1.326 -0.424 0 O-C-N 124.536 1.147 . . . . 0.0 109.893 -179.999 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 29' ' ' ASP . . . . . 0.42 ' HB3' ' CH2' ' A' ' 56' ' ' TRP . 0.3 OUTLIER -82.29 -40.91 20.85 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.523 1.139 . . . . 0.0 107.97 178.356 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 4.1 t -64.36 -33.18 61.07 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.909 1.381 . . . . 0.0 107.512 178.153 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -71.33 -32.03 68.09 Favored 'General case' 0 CA--C 1.535 0.377 0 O-C-N 124.893 1.371 . . . . 0.0 108.234 178.697 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -91.4 16.28 10.51 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 114.644 -1.162 . . . . 0.0 111.268 -179.566 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -129.5 -82.09 0.56 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.303 1.002 . . . . 0.0 108.738 179.071 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 0.7 OUTLIER -66.72 -29.11 69.02 Favored 'General case' 0 C--N 1.326 -0.428 0 O-C-N 124.508 1.13 . . . . 0.0 110.642 179.384 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . 53.28 -155.48 0.2 Allowed 'General case' 0 C--N 1.327 -0.402 0 O-C-N 124.824 1.328 . . . . 0.0 108.708 179.74 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . -89.43 44.31 3.06 Favored Glycine 0 CA--C 1.533 1.166 0 O-C-N 124.656 1.223 . . . . 0.0 110.547 179.443 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER -54.89 -31.39 59.85 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.483 0.755 . . . . 0.0 110.086 -179.882 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . 50.56 49.98 19.74 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.485 1.116 . . . . 0.0 110.198 179.423 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . -149.66 22.71 1.18 Allowed Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.482 1.114 . . . . 0.0 110.763 179.585 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -162.68 76.03 0.43 Allowed 'General case' 0 C--N 1.327 -0.407 0 O-C-N 124.577 0.81 . . . . 0.0 110.063 -179.748 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 41' ' ' GLU . . . . . 0.478 ' HA ' ' HB3' ' A' ' 44' ' ' LEU . 38.9 mt-10 -129.4 -28.75 2.28 Favored 'General case' 0 N--CA 1.452 -0.368 0 O-C-N 124.485 1.116 . . . . 0.0 113.319 -179.552 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -74.47 -64.86 0.94 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.223 0.952 . . . . 0.0 109.828 -179.157 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 5.7 pt-20 -77.11 -0.17 23.83 Favored 'General case' 0 CA--C 1.537 0.471 0 O-C-N 124.648 1.218 . . . . 0.0 110.617 178.244 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 44' ' ' LEU . . . . . 0.496 ' CD1' HD23 ' A' ' 79' ' ' LEU . 0.2 OUTLIER -84.98 -34.0 22.49 Favored 'General case' 0 C--N 1.323 -0.563 0 N-CA-C 106.346 -1.724 . . . . 0.0 106.346 176.657 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -73.6 -24.99 60.12 Favored 'General case' 0 N--CA 1.452 -0.364 0 CA-C-N 113.92 -1.491 . . . . 0.0 108.883 178.17 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 46' ' ' GLN . . . . . . . . . . . . . 5.7 tt0 -76.49 -21.72 55.45 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 114.612 -1.177 . . . . 0.0 109.968 -179.468 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 47' ' ' ARG . . . . . 0.414 ' HG3' ' HA ' ' A' ' 52' ' ' SER . 0.0 OUTLIER -77.09 -32.99 57.04 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 125.32 1.638 . . . . 0.0 108.56 177.79 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 48' ' ' ILE . . . . . 0.408 ' HA ' ' HE1' ' A' ' 61' ' ' MET . 49.5 mt -63.15 -24.35 35.72 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 125.12 1.513 . . . . 0.0 109.313 178.876 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 49' ' ' LYS . . . . . 0.406 ' HB2' ' HA ' ' A' ' 65' ' ' ALA . 5.7 pttt -120.03 4.97 10.87 Favored 'General case' 0 N--CA 1.449 -0.484 0 O-C-N 124.301 1.001 . . . . 0.0 113.163 -177.925 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 3.5 t-20 -139.45 8.02 2.39 Favored 'General case' 0 C--N 1.326 -0.432 0 O-C-N 124.144 0.903 . . . . 0.0 111.628 -179.968 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 76.03 146.97 1.89 Allowed Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.149 0.906 . . . . 0.0 112.077 179.358 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 52' ' ' SER . . . . . 0.414 ' HA ' ' HG3' ' A' ' 47' ' ' ARG . 0.9 OUTLIER -78.84 -19.68 51.45 Favored 'General case' 0 C--N 1.326 -0.415 0 O-C-N 124.399 0.705 . . . . 0.0 110.737 179.929 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 53' ' ' GLN . . . . . 0.426 ' HA ' ' HB3' ' A' ' 60' ' ' PRO . 0.2 OUTLIER 74.65 18.9 2.69 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.458 1.099 . . . . 0.0 111.042 -179.968 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 92.15 91.41 1.44 Allowed Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.415 1.072 . . . . 0.0 111.529 179.603 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 55' ' ' VAL . . . . . 0.635 HG12 ' CD1' ' A' ' 56' ' ' TRP . 37.1 t -108.54 -41.48 5.17 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.499 0.764 . . . . 0.0 109.116 179.753 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 56' ' ' TRP . . . . . 0.635 ' CD1' HG12 ' A' ' 55' ' ' VAL . 7.0 m95 -109.44 27.72 9.26 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.529 1.143 . . . . 0.0 108.113 179.656 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 129.74 -155.06 20.73 Favored Glycine 0 CA--C 1.529 0.925 0 O-C-N 124.595 1.185 . . . . 0.0 111.167 179.866 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 58' ' ' PRO . . . . . . . . . . . . . 16.0 Cg_endo -77.9 -159.51 0.1 Allowed 'Trans proline' 0 C--N 1.359 1.131 0 O-C-N 124.382 1.727 . . . . 0.0 111.319 -179.322 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 59' ' ' ILE . . . . . 0.425 HG23 ' O ' ' A' ' 59' ' ' ILE . 0.0 OUTLIER 44.6 84.86 0.18 Allowed Pre-proline 0 C--N 1.325 -0.482 0 O-C-N 124.614 1.196 . . . . 0.0 111.327 179.899 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 60' ' ' PRO . . . . . 0.426 ' HB3' ' HA ' ' A' ' 53' ' ' GLN . 13.4 Cg_endo -66.47 152.97 79.69 Favored 'Trans proline' 0 C--N 1.367 1.545 0 O-C-N 123.808 1.425 . . . . 0.0 110.853 179.48 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 61' ' ' MET . . . . . 0.408 ' HE1' ' HA ' ' A' ' 48' ' ' ILE . 6.2 ttp -62.86 113.94 10.74 Favored Pre-proline 0 C--N 1.325 -0.462 0 O-C-N 124.591 1.182 . . . . 0.0 111.433 -179.862 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 62' ' ' PRO . . . . . . . . . . . . . 14.0 Cg_exo -54.1 110.91 0.57 Allowed 'Trans proline' 0 C--N 1.36 1.163 0 O-C-N 124.536 1.808 . . . . 0.0 110.019 178.935 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 63' ' ' PRO . . . . . . . . . . . . . 24.3 Cg_exo -44.07 102.28 0.04 OUTLIER 'Trans proline' 0 C--N 1.358 1.051 0 O-C-N 124.679 1.884 . . . . 0.0 111.051 -179.382 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 5.7 t-20 -69.23 -35.42 76.13 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.34 1.025 . . . . 0.0 110.615 -179.067 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 65' ' ' ALA . . . . . 0.406 ' HA ' ' HB2' ' A' ' 49' ' ' LYS . . . 64.91 80.62 0.23 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.438 1.087 . . . . 0.0 109.105 -179.584 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 66' ' ' VAL . . . . . 0.425 HG12 ' HB3' ' A' ' 70' ' ' GLU . 0.3 OUTLIER -103.11 -15.74 7.84 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.385 1.053 . . . . 0.0 110.583 -179.894 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER 84.67 165.85 0.1 Allowed 'General case' 0 C--N 1.323 -0.544 0 O-C-N 124.462 1.101 . . . . 0.0 109.73 -179.508 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 68' ' ' ASP . . . . . 0.422 ' O ' ' CB ' ' A' ' 69' ' ' ASP . 0.8 OUTLIER -70.29 141.4 52.37 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.524 1.14 . . . . 0.0 110.766 -179.134 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 69' ' ' ASP . . . . . 0.422 ' CB ' ' O ' ' A' ' 68' ' ' ASP . 4.0 t0 88.64 -36.95 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.443 1.089 . . . . 0.0 110.394 179.764 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 70' ' ' GLU . . . . . 0.425 ' HB3' HG12 ' A' ' 66' ' ' VAL . 4.2 mt-10 -79.05 -32.11 44.74 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.629 1.206 . . . . 0.0 108.3 178.694 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -87.64 -31.71 19.64 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 113.952 -1.476 . . . . 0.0 108.365 178.412 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 6.7 tp60 -57.65 -34.89 69.84 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.799 1.312 . . . . 0.0 110.324 179.731 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 1.1 m -70.15 -47.96 59.41 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.563 1.165 . . . . 0.0 110.46 -179.959 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 74' ' ' LEU . . . . . 0.453 HD21 ' HG ' ' A' ' 6' ' ' LEU . 2.9 mt -78.99 2.9 18.8 Favored 'General case' 0 N--CA 1.449 -0.487 0 O-C-N 124.45 1.093 . . . . 0.0 111.461 -179.481 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -100.12 -28.16 13.18 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.281 0.988 . . . . 0.0 110.573 -179.725 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 8.1 pttp -85.26 -16.32 40.56 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.596 1.185 . . . . 0.0 110.017 -179.912 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 77' ' ' TRP . . . . . 0.648 ' CE3' ' CE2' ' A' ' 27' ' ' TYR . 33.5 t90 -86.6 -38.82 16.74 Favored 'General case' 0 C--N 1.323 -0.544 0 N-CA-C 106.696 -1.594 . . . . 0.0 106.696 178.876 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 78' ' ' VAL . . . . . 0.645 HG23 ' CE2' ' A' ' 27' ' ' TYR . 1.0 OUTLIER -63.79 -54.31 33.62 Favored 'Isoleucine or valine' 0 CA--C 1.542 0.654 0 N-CA-C 106.675 -1.602 . . . . 0.0 106.675 177.134 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 79' ' ' LEU . . . . . 0.611 ' N ' HG12 ' A' ' 78' ' ' VAL . 0.3 OUTLIER -62.45 -69.68 0.24 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 113.964 -1.471 . . . . 0.0 109.241 -179.271 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -85.57 113.31 21.71 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.442 1.089 . . . . 0.0 109.756 179.69 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 81' ' ' GLN . . . . . . . . . . . . . 14.5 pt20 -51.4 -41.44 60.73 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.43 1.081 . . . . 0.0 110.707 -179.778 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.325 -0.467 0 O-C-N 124.443 1.089 . . . . 0.0 109.368 -179.993 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 2' ' ' ASP . . . . . 0.512 ' N ' ' HD3' ' A' ' 3' ' ' PRO . 2.3 m-20 . . . . . 0 N--CA 1.453 -0.323 0 N-CA-C 110.596 -0.15 . . . . 0.0 110.596 . . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 3' ' ' PRO . . . . . 0.512 ' HD3' ' N ' ' A' ' 2' ' ' ASP . 67.7 Cg_endo -82.62 -23.93 3.78 Favored 'Trans proline' 0 C--N 1.358 1.057 0 O-C-N 124.55 1.816 . . . . 0.0 109.536 178.441 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -80.79 -23.48 39.26 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.823 1.327 . . . . 0.0 109.211 178.632 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 5' ' ' VAL . . . . . 0.434 ' HB ' ' HB3' ' A' ' 2' ' ' ASP . 41.0 t -88.34 -25.85 5.79 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.424 0 O-C-N 124.754 1.284 . . . . 0.0 108.977 179.246 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 6' ' ' LEU . . . . . 0.458 HD13 ' O ' ' A' ' 6' ' ' LEU . 0.9 OUTLIER -81.61 -35.68 29.8 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 114.821 -1.081 . . . . 0.0 108.728 179.464 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 7' ' ' PHE . . . . . 0.8 ' CZ ' HG23 ' A' ' 13' ' ' VAL . 0.4 OUTLIER -68.84 -23.94 64.31 Favored 'General case' 0 C--N 1.327 -0.406 0 O-C-N 124.827 1.329 . . . . 0.0 111.083 179.864 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 2.1 mmmt -92.38 -10.72 37.11 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.556 1.16 . . . . 0.0 111.377 -178.901 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 4.1 t30 -47.65 -75.18 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.312 1.007 . . . . 0.0 110.166 -179.694 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 6.6 mttp 176.11 79.91 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.511 1.132 . . . . 0.0 109.621 179.805 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -179.99 -69.08 0.07 OUTLIER Glycine 0 CA--C 1.529 0.924 0 O-C-N 124.614 1.196 . . . . 0.0 111.735 179.926 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 12' ' ' CYS . . . . . 0.606 ' CB ' ' CD2' ' A' ' 7' ' ' PHE . 60.1 m -58.18 -59.73 4.85 Favored 'General case' 0 N--CA 1.449 -0.494 0 O-C-N 124.268 0.628 . . . . 0.0 110.571 -179.126 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 13' ' ' VAL . . . . . 0.8 HG23 ' CZ ' ' A' ' 7' ' ' PHE . 0.3 OUTLIER -62.19 -4.69 1.08 Allowed 'Isoleucine or valine' 0 CA--C 1.536 0.44 0 N-CA-C 114.084 1.142 . . . . 0.0 114.084 -176.869 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -52.03 -31.34 29.4 Favored 'General case' 0 CA--C 1.538 0.516 0 O-C-N 125.906 2.004 . . . . 0.0 108.164 179.619 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 3.6 p -157.29 16.86 0.27 Allowed 'General case' 0 N--CA 1.45 -0.451 0 O-C-N 125.208 1.567 . . . . 0.0 112.631 -179.515 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 2.0 m80 -94.27 -71.76 0.65 Allowed 'General case' 0 C--N 1.327 -0.404 0 N-CA-C 113.993 1.109 . . . . 0.0 113.993 -178.671 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 17' ' ' ALA . . . . . 0.547 ' HB1' HG23 ' A' ' 20' ' ' THR . . . 68.8 160.04 0.18 Allowed 'General case' 0 C--N 1.325 -0.476 0 N-CA-C 107.689 -1.226 . . . . 0.0 107.689 -176.686 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 18' ' ' ILE . . . . . 0.643 HD12 ' O ' ' A' ' 18' ' ' ILE . 0.5 OUTLIER -101.18 -22.41 4.74 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.399 0 O-C-N 124.135 0.897 . . . . 0.0 112.534 -178.398 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 18.4 t0 -133.96 23.34 3.88 Favored 'General case' 0 N--CA 1.45 -0.434 0 O-C-N 124.284 0.99 . . . . 0.0 112.402 -179.074 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 20' ' ' THR . . . . . 0.547 HG23 ' HB1' ' A' ' 17' ' ' ALA . 0.1 OUTLIER -146.07 157.96 43.86 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.288 0.993 . . . . 0.0 109.968 178.767 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 2.1 mtpp -116.3 163.04 16.6 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.546 1.154 . . . . 0.0 110.953 -178.951 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 22' ' ' MET . . . . . . . . . . . . . 1.6 mmm -170.93 -72.18 0.02 OUTLIER 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 114.737 -1.119 . . . . 0.0 110.442 179.934 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 1.8 t -122.83 -42.12 1.59 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.591 1.182 . . . . 0.0 108.99 179.184 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -105.82 166.48 14.17 Favored Glycine 0 CA--C 1.532 1.153 0 O-C-N 124.371 1.044 . . . . 0.0 111.778 -179.423 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 25' ' ' PRO . . . . . . . . . . . . . 73.5 Cg_endo -72.76 122.08 7.9 Favored 'Trans proline' 0 C--N 1.36 1.16 0 C-N-CA 122.291 1.994 . . . . 0.0 113.569 -179.12 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 26' ' ' ALA . . . . . 0.477 ' HB3' ' OD2' ' A' ' 29' ' ' ASP . . . -56.2 137.27 52.19 Favored 'General case' 0 C--N 1.325 -0.462 0 N-CA-C 106.959 -1.497 . . . . 0.0 106.959 176.977 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 27' ' ' TYR . . . . . 0.618 ' CZ ' ' CZ3' ' A' ' 77' ' ' TRP . 10.0 m-85 -64.13 -16.31 61.58 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.635 1.209 . . . . 0.0 113.233 -178.184 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 43.1 tttt -84.48 -27.81 27.2 Favored 'General case' 0 C--N 1.326 -0.416 0 O-C-N 124.381 1.051 . . . . 0.0 111.734 -179.04 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 29' ' ' ASP . . . . . 0.477 ' OD2' ' HB3' ' A' ' 26' ' ' ALA . 2.4 p30 -79.91 -33.6 39.68 Favored 'General case' 0 C--N 1.326 -0.417 0 O-C-N 124.699 1.249 . . . . 0.0 108.253 179.022 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 2.1 t -67.53 -35.46 73.26 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 N-CA-C 107.533 -1.284 . . . . 0.0 107.533 178.196 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 31' ' ' ALA . . . . . 0.549 ' HB1' ' OE1' ' A' ' 81' ' ' GLN . . . -74.94 -23.19 58.28 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 114.256 -1.338 . . . . 0.0 109.137 179.396 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -102.13 17.72 22.61 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.376 1.048 . . . . 0.0 110.771 -179.783 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 1.9 mmtt -129.28 -76.58 0.55 Allowed 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.43 1.082 . . . . 0.0 108.537 179.306 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -51.26 -44.43 61.76 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.835 1.335 . . . . 0.0 109.359 178.476 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . 51.61 64.25 1.92 Allowed 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 114.53 -1.213 . . . . 0.0 110.605 178.736 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 48.01 31.29 8.0 Favored Glycine 0 CA--C 1.529 0.923 0 O-C-N 124.544 1.152 . . . . 0.0 111.353 179.512 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 6.4 tt0 -54.23 -58.13 8.53 Favored 'General case' 0 C--N 1.327 -0.41 0 O-C-N 124.483 0.754 . . . . 0.0 109.785 -179.953 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . 65.17 162.14 0.13 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.463 1.102 . . . . 0.0 111.051 178.977 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 117.1 -2.77 19.11 Favored Glycine 0 CA--C 1.529 0.956 0 CA-C-N 114.71 -1.132 . . . . 0.0 112.362 179.578 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -144.51 9.9 1.41 Allowed 'General case' 0 N--CA 1.451 -0.407 0 O-C-N 124.378 0.693 . . . . 0.0 112.21 -179.38 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 41' ' ' GLU . . . . . 0.636 ' HG3' HD12 ' A' ' 79' ' ' LEU . 0.0 OUTLIER -50.97 -16.7 0.47 Allowed 'General case' 0 C--N 1.323 -0.568 0 N-CA-C 113.55 0.944 . . . . 0.0 113.55 -179.308 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -75.49 -57.62 3.78 Favored 'General case' 0 C--N 1.323 -0.562 0 O-C-N 124.377 1.048 . . . . 0.0 109.371 -179.887 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 9.9 pm0 -81.04 4.1 20.9 Favored 'General case' 0 CA--C 1.536 0.404 0 O-C-N 124.437 1.085 . . . . 0.0 110.891 178.788 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 44' ' ' LEU . . . . . 0.5 ' HB3' ' HA ' ' A' ' 41' ' ' GLU . 1.1 tm? -92.98 -33.25 14.22 Favored 'General case' 0 C--N 1.324 -0.532 0 N-CA-C 106.458 -1.682 . . . . 0.0 106.458 177.187 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 45' ' ' ALA . . . . . 0.408 ' HA ' HG13 ' A' ' 48' ' ' ILE . . . -78.09 -24.78 47.47 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 113.869 -1.514 . . . . 0.0 108.114 177.808 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 46' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -77.08 -24.31 51.85 Favored 'General case' 0 CA--C 1.537 0.458 0 CA-C-N 114.231 -1.35 . . . . 0.0 109.248 179.881 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 2.3 mmt180 -71.42 -34.46 70.34 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 125.32 1.638 . . . . 0.0 108.695 177.828 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 48' ' ' ILE . . . . . 0.557 ' HB ' ' HB1' ' A' ' 71' ' ' ALA . 1.6 mt -64.2 -26.42 40.38 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.913 1.383 . . . . 0.0 110.418 179.521 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 49' ' ' LYS . . . . . 0.637 ' CG ' HG23 ' A' ' 66' ' ' VAL . 1.0 OUTLIER -118.36 7.8 12.05 Favored 'General case' 0 N--CA 1.448 -0.533 0 O-C-N 124.189 0.93 . . . . 0.0 113.364 -177.881 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 49.4 t30 -135.36 -3.87 2.38 Favored 'General case' 0 N--CA 1.45 -0.448 0 O-C-N 124.358 1.036 . . . . 0.0 112.515 -179.376 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 77.1 151.63 4.43 Favored Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.095 0.872 . . . . 0.0 111.303 179.797 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -89.77 -148.6 0.19 Allowed 'General case' 0 C--N 1.324 -0.53 0 O-C-N 124.448 0.734 . . . . 0.0 109.628 179.926 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 44.9 mt-30 -135.93 -45.45 0.65 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.369 1.043 . . . . 0.0 110.365 -179.954 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 150.06 75.68 0.02 OUTLIER Glycine 0 CA--C 1.531 1.032 0 O-C-N 124.423 1.077 . . . . 0.0 110.75 -179.799 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 63.6 t -87.16 -49.33 14.85 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.513 0.772 . . . . 0.0 110.063 -179.59 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 56' ' ' TRP . . . . . . . . . . . . . 6.9 m95 -87.91 -25.78 23.05 Favored 'General case' 0 C--N 1.326 -0.42 0 O-C-N 124.491 1.12 . . . . 0.0 108.969 -179.525 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 57' ' ' GLY . . . . . 0.452 ' N ' ' HD2' ' A' ' 58' ' ' PRO . . . 135.25 -53.6 0.77 Allowed Glycine 0 CA--C 1.529 0.944 0 O-C-N 124.447 1.092 . . . . 0.0 112.718 179.695 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 58' ' ' PRO . . . . . 0.452 ' HD2' ' N ' ' A' ' 57' ' ' GLY . 33.9 Cg_exo -45.15 153.73 0.49 Allowed 'Trans proline' 0 C--N 1.359 1.124 0 O-C-N 124.48 1.779 . . . . 0.0 112.212 -178.722 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 59' ' ' ILE . . . . . 0.443 HG13 ' HD2' ' A' ' 60' ' ' PRO . 0.9 OUTLIER -50.93 138.54 24.25 Favored Pre-proline 0 C--N 1.327 -0.407 0 O-C-N 124.469 1.106 . . . . 0.0 109.515 -179.885 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 60' ' ' PRO . . . . . 0.443 ' HD2' HG13 ' A' ' 59' ' ' ILE . 6.8 Cg_exo -42.64 148.97 0.39 Allowed 'Trans proline' 0 C--N 1.359 1.114 0 O-C-N 124.595 1.84 . . . . 0.0 112.459 -179.396 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 61' ' ' MET . . . . . 0.437 ' HG3' ' HD2' ' A' ' 62' ' ' PRO . 5.9 ttp -64.27 139.07 97.61 Favored Pre-proline 0 C--N 1.327 -0.393 0 CA-C-N 114.905 -1.043 . . . . 0.0 111.554 -179.91 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 62' ' ' PRO . . . . . 0.437 ' HD2' ' HG3' ' A' ' 61' ' ' MET . 2.1 Cg_endo -49.79 131.27 28.87 Favored 'Trans proline' 0 C--N 1.361 1.218 0 O-C-N 124.669 1.879 . . . . 0.0 110.53 179.336 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 63' ' ' PRO . . . . . 0.427 ' HD3' ' HA ' ' A' ' 62' ' ' PRO . 28.5 Cg_endo -76.8 164.22 30.34 Favored 'Trans proline' 0 C--N 1.359 1.1 0 O-C-N 124.334 1.702 . . . . 0.0 111.813 -179.64 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 64' ' ' ASN . . . . . 0.49 ' O ' ' HB3' ' A' ' 65' ' ' ALA . 7.7 p30 44.07 -149.17 0.06 Allowed 'General case' 0 C--N 1.326 -0.421 0 O-C-N 124.865 1.353 . . . . 0.0 110.57 179.673 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 65' ' ' ALA . . . . . 0.49 ' HB3' ' O ' ' A' ' 64' ' ' ASN . . . 79.95 18.83 0.66 Allowed 'General case' 0 C--N 1.326 -0.436 0 O-C-N 123.966 0.791 . . . . 0.0 110.4 -179.105 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 66' ' ' VAL . . . . . 0.637 HG23 ' CG ' ' A' ' 49' ' ' LYS . 0.0 OUTLIER -163.48 -170.12 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.374 1.047 . . . . 0.0 109.587 178.81 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 67' ' ' SER . . . . . 0.424 ' HA ' ' HE2' ' A' ' 49' ' ' LYS . 12.5 p -145.9 165.12 29.86 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 114.605 -1.18 . . . . 0.0 109.499 179.827 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 40.3 t0 -61.21 145.61 50.57 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.547 1.154 . . . . 0.0 108.898 179.775 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER 85.58 -34.82 0.05 OUTLIER 'General case' 0 C--N 1.323 -0.575 0 O-C-N 124.646 1.216 . . . . 0.0 110.142 -179.071 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 70' ' ' GLU . . . . . 0.567 ' O ' HD23 ' A' ' 74' ' ' LEU . 26.8 mm-40 -79.54 -31.38 42.06 Favored 'General case' 0 C--N 1.323 -0.558 0 O-C-N 124.609 1.193 . . . . 0.0 108.519 178.685 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 71' ' ' ALA . . . . . 0.557 ' HB1' ' HB ' ' A' ' 48' ' ' ILE . . . -87.77 -33.36 18.69 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.878 1.361 . . . . 0.0 108.077 178.455 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 31.2 tt0 -58.81 -42.28 88.75 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.719 1.262 . . . . 0.0 111.244 179.988 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 73' ' ' THR . . . . . 0.528 HG22 HD22 ' A' ' 74' ' ' LEU . 0.9 OUTLIER -69.75 -41.58 75.02 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.344 1.027 . . . . 0.0 110.419 -179.816 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 74' ' ' LEU . . . . . 0.567 HD23 ' O ' ' A' ' 70' ' ' GLU . 2.9 mm? -71.75 -19.37 62.04 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.569 1.168 . . . . 0.0 110.669 -179.355 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -83.68 -20.11 34.12 Favored 'General case' 0 C--N 1.326 -0.43 0 O-C-N 124.161 0.913 . . . . 0.0 110.218 -179.789 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 28.4 ttmt -83.51 -21.01 32.91 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.55 1.156 . . . . 0.0 109.875 -179.557 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 77' ' ' TRP . . . . . 0.618 ' CZ3' ' CZ ' ' A' ' 27' ' ' TYR . 35.3 t90 -87.9 -40.18 14.17 Favored 'General case' 0 C--N 1.324 -0.526 0 N-CA-C 106.719 -1.585 . . . . 0.0 106.719 178.986 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 78' ' ' VAL . . . . . 0.547 HG23 ' CZ ' ' A' ' 27' ' ' TYR . 1.2 t -57.82 -50.38 77.88 Favored 'Isoleucine or valine' 0 CA--C 1.544 0.742 0 N-CA-C 105.553 -2.017 . . . . 0.0 105.553 176.299 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 79' ' ' LEU . . . . . 0.636 HD12 ' HG3' ' A' ' 41' ' ' GLU . 0.1 OUTLIER -65.6 -82.01 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 113.592 -1.64 . . . . 0.0 108.311 179.007 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -57.7 99.58 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.762 1.289 . . . . 0.0 109.463 179.649 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 81' ' ' GLN . . . . . 0.549 ' OE1' ' HB1' ' A' ' 31' ' ' ALA . 11.8 pt20 -66.8 -157.79 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.579 1.175 . . . . 0.0 110.454 -179.718 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.327 -0.413 0 O-C-N 124.369 1.043 . . . . 0.0 109.262 179.914 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 29.6 m-20 . . . . . 0 N--CA 1.453 -0.278 0 N-CA-C 109.209 -0.663 . . . . 0.0 109.209 . . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 3' ' ' PRO . . . . . . . . . . . . . 19.1 Cg_endo -77.07 -18.86 14.16 Favored 'Trans proline' 0 C--N 1.36 1.165 0 O-C-N 124.47 1.773 . . . . 0.0 111.266 179.785 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 4' ' ' GLU . . . . . 0.518 ' HG2' ' CE2' ' A' ' 77' ' ' TRP . 11.9 mt-10 -81.59 -23.93 36.78 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.548 1.155 . . . . 0.0 109.866 179.613 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 73.5 t -87.51 -28.61 5.6 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.57 1.169 . . . . 0.0 108.813 179.455 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 6' ' ' LEU . . . . . 0.458 ' HA ' HD23 ' A' ' 6' ' ' LEU . 1.0 OUTLIER -82.52 -32.42 28.69 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.654 1.221 . . . . 0.0 108.811 179.528 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 7' ' ' PHE . . . . . 0.743 ' CZ ' HG23 ' A' ' 13' ' ' VAL . 2.7 t80 -67.02 -27.17 67.19 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.717 1.26 . . . . 0.0 110.703 179.94 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -89.83 -21.94 22.33 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.465 1.103 . . . . 0.0 109.872 179.93 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 8.4 t30 -116.03 59.89 0.72 Allowed 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.508 1.13 . . . . 0.0 109.252 -179.885 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 1.3 tptp -155.46 -44.4 0.08 Allowed 'General case' 0 C--N 1.327 -0.375 0 O-C-N 124.359 1.037 . . . . 0.0 110.367 -179.838 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 136.35 -6.73 3.96 Favored Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.343 1.027 . . . . 0.0 111.921 -179.634 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 12' ' ' CYS . . . . . 0.64 ' HB2' ' CD1' ' A' ' 7' ' ' PHE . 57.5 m -57.3 -60.8 3.09 Favored 'General case' 0 N--CA 1.448 -0.544 0 O-C-N 124.098 0.528 . . . . 0.0 109.92 -179.772 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 13' ' ' VAL . . . . . 0.743 HG23 ' CZ ' ' A' ' 7' ' ' PHE . 0.4 OUTLIER -61.82 -5.14 1.09 Allowed 'Isoleucine or valine' 0 CA--C 1.536 0.435 0 N-CA-C 114.503 1.298 . . . . 0.0 114.503 -176.39 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -52.4 -28.39 19.55 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 125.869 1.98 . . . . 0.0 108.064 179.412 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 1.6 p -156.29 16.03 0.33 Allowed 'General case' 0 C--O 1.238 0.448 0 O-C-N 124.984 1.428 . . . . 0.0 112.161 -179.297 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 2.0 m80 -98.83 -73.29 0.63 Allowed 'General case' 0 C--N 1.326 -0.456 0 N-CA-C 114.111 1.152 . . . . 0.0 114.111 -178.559 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . 70.14 157.73 0.17 Allowed 'General case' 0 CA--C 1.538 0.507 0 N-CA-C 107.247 -1.39 . . . . 0.0 107.247 -175.758 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 18' ' ' ILE . . . . . 0.597 HD12 ' N ' ' A' ' 19' ' ' ASP . 0.8 OUTLIER -92.17 -57.03 4.6 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.373 0 O-C-N 124.47 1.106 . . . . 0.0 111.254 -178.652 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 19' ' ' ASP . . . . . 0.597 ' N ' HD12 ' A' ' 18' ' ' ILE . 6.2 p-10 -98.86 16.72 21.44 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 115.166 -0.925 . . . . 0.0 111.282 -179.138 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -130.95 158.8 39.28 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.477 1.11 . . . . 0.0 110.288 179.567 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 15.4 mttt -119.06 165.44 14.13 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.511 1.132 . . . . 0.0 109.579 -179.611 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 22' ' ' MET . . . . . 0.48 ' CG ' HG23 ' A' ' 23' ' ' VAL . 1.5 tpp -175.0 -93.72 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.399 1.062 . . . . 0.0 110.602 179.689 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 23' ' ' VAL . . . . . 0.48 HG23 ' CG ' ' A' ' 22' ' ' MET . 8.3 t -97.13 -45.83 12.76 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.445 0 N-CA-C 107.817 -1.179 . . . . 0.0 107.817 178.342 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -102.89 172.44 21.72 Favored Glycine 0 CA--C 1.532 1.152 0 O-C-N 124.731 1.269 . . . . 0.0 110.962 179.683 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 25' ' ' PRO . . . . . . . . . . . . . 61.9 Cg_endo -73.71 152.44 47.67 Favored 'Trans proline' 0 C--N 1.359 1.099 0 O-C-N 124.369 1.72 . . . . 0.0 112.592 -178.886 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 26' ' ' ALA . . . . . 0.523 ' HB1' ' O ' ' A' ' 18' ' ' ILE . . . -75.42 128.01 34.4 Favored 'General case' 0 C--N 1.325 -0.495 0 N-CA-C 106.512 -1.662 . . . . 0.0 106.512 176.852 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 27' ' ' TYR . . . . . 0.721 ' CE2' HG23 ' A' ' 78' ' ' VAL . 9.1 m-85 -55.14 -27.68 47.26 Favored 'General case' 0 C--N 1.323 -0.566 0 O-C-N 124.759 1.287 . . . . 0.0 111.222 -178.217 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -68.82 -45.03 72.24 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.598 1.186 . . . . 0.0 109.447 179.876 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 29' ' ' ASP . . . . . 0.417 ' CG ' ' HB3' ' A' ' 26' ' ' ALA . 7.1 m-20 -62.25 -36.65 82.67 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.825 1.328 . . . . 0.0 110.328 -179.752 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 30' ' ' VAL . . . . . 0.659 HG11 HG13 ' A' ' 78' ' ' VAL . 64.6 t -72.97 -31.23 34.85 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 N-CA-C 107.155 -1.424 . . . . 0.0 107.155 178.41 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 31' ' ' ALA . . . . . 0.615 ' HA ' ' HB2' ' A' ' 35' ' ' ALA . . . -91.5 17.35 8.77 Favored 'General case' 0 CA--C 1.534 0.363 0 CA-C-N 114.28 -1.327 . . . . 0.0 109.357 178.542 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -137.37 10.71 2.99 Favored 'General case' 0 CA--C 1.538 0.497 0 CA-C-N 115.208 -0.905 . . . . 0.0 110.159 178.791 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 33' ' ' LYS . . . . . 0.439 ' HA ' ' HE3' ' A' ' 33' ' ' LYS . 0.5 OUTLIER -139.12 -57.45 0.6 Allowed 'General case' 0 C--N 1.323 -0.551 0 O-C-N 124.66 1.225 . . . . 0.0 108.827 179.058 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 9.5 m-85 -87.95 -5.27 58.62 Favored 'General case' 0 C--N 1.326 -0.421 0 O-C-N 124.316 1.01 . . . . 0.0 112.656 -179.962 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 35' ' ' ALA . . . . . 0.615 ' HB2' ' HA ' ' A' ' 31' ' ' ALA . . . -72.84 147.26 45.59 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.386 1.054 . . . . 0.0 109.206 179.979 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 92.61 -29.8 7.51 Favored Glycine 0 CA--C 1.532 1.123 0 N-CA-C 110.165 -1.174 . . . . 0.0 110.165 -179.165 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 8.1 pt20 -105.56 140.74 38.19 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.538 0.787 . . . . 0.0 109.445 179.091 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -148.9 107.13 3.74 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.536 1.147 . . . . 0.0 109.796 -179.622 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . -144.96 25.26 1.92 Allowed Glycine 0 CA--C 1.531 1.039 0 O-C-N 124.536 1.148 . . . . 0.0 111.488 179.863 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 40' ' ' ALA . . . . . 0.406 ' C ' ' CG ' ' A' ' 41' ' ' GLU . . . -148.37 -94.55 0.08 Allowed 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.564 0.802 . . . . 0.0 109.783 179.868 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 41' ' ' GLU . . . . . 0.406 ' CG ' ' C ' ' A' ' 40' ' ' ALA . 0.0 OUTLIER 49.0 23.17 0.67 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.106 0.879 . . . . 0.0 110.646 -179.527 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -134.74 -57.03 0.83 Allowed 'General case' 0 CA--C 1.541 0.619 0 N-CA-C 105.918 -1.882 . . . . 0.0 105.918 177.707 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 3.1 tt0 -84.26 2.84 38.2 Favored 'General case' 0 CA--C 1.543 0.679 0 O-C-N 125.454 1.721 . . . . 0.0 109.562 175.085 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 44' ' ' LEU . . . . . 0.442 ' CD1' HD13 ' A' ' 79' ' ' LEU . 0.1 OUTLIER -90.77 -36.1 14.48 Favored 'General case' 0 C--N 1.323 -0.558 0 N-CA-C 106.816 -1.55 . . . . 0.0 106.816 177.711 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -73.56 -25.91 60.59 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 114.218 -1.355 . . . . 0.0 108.825 178.368 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 46' ' ' GLN . . . . . 0.413 ' O ' ' CB ' ' A' ' 50' ' ' ASN . 47.3 mm-40 -77.1 -24.83 51.74 Favored 'General case' 0 CA--C 1.537 0.458 0 CA-C-N 114.318 -1.31 . . . . 0.0 109.257 179.94 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -71.66 -37.56 70.78 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 125.461 1.726 . . . . 0.0 108.772 177.846 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 48' ' ' ILE . . . . . 0.424 ' HA ' ' HE1' ' A' ' 61' ' ' MET . 68.1 mt -55.66 -33.85 34.51 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 125.26 1.6 . . . . 0.0 110.146 179.478 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 49' ' ' LYS . . . . . 0.484 ' HD2' HG23 ' A' ' 66' ' ' VAL . 9.5 mmtt -117.59 7.51 12.64 Favored 'General case' 0 N--CA 1.449 -0.495 0 N-CA-C 114.569 1.322 . . . . 0.0 114.569 -177.22 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 50' ' ' ASN . . . . . 0.413 ' CB ' ' O ' ' A' ' 46' ' ' GLN . 57.7 t30 -126.01 -5.38 6.79 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 123.988 0.805 . . . . 0.0 111.011 179.58 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 83.44 136.17 2.81 Favored Glycine 0 CA--C 1.529 0.946 0 O-C-N 124.292 0.995 . . . . 0.0 111.512 179.547 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -87.25 -9.71 54.35 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.36 0.682 . . . . 0.0 111.29 179.877 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 53' ' ' GLN . . . . . 0.422 ' HG2' ' N ' ' A' ' 54' ' ' GLY . 0.6 OUTLIER 86.34 -39.73 0.04 OUTLIER 'General case' 0 C--N 1.324 -0.542 0 O-C-N 124.399 1.062 . . . . 0.0 111.911 179.608 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 54' ' ' GLY . . . . . 0.422 ' N ' ' HG2' ' A' ' 53' ' ' GLN . . . 135.68 96.78 0.5 Allowed Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.385 1.053 . . . . 0.0 111.051 -179.838 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 75.3 t -110.6 -31.1 2.28 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.5 0 O-C-N 124.538 0.787 . . . . 0.0 109.856 -179.801 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 56' ' ' TRP . . . . . 0.407 ' CH2' ' HB2' ' A' ' 29' ' ' ASP . 5.8 m95 -102.45 -41.66 6.23 Favored 'General case' 0 C--N 1.326 -0.425 0 O-C-N 124.373 1.046 . . . . 0.0 108.552 -179.822 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -144.16 174.19 24.57 Favored Glycine 0 CA--C 1.53 0.979 0 O-C-N 124.392 1.058 . . . . 0.0 110.986 -179.842 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 58' ' ' PRO . . . . . . . . . . . . . 28.5 Cg_endo -82.93 78.74 3.2 Favored 'Trans proline' 0 C--N 1.358 1.052 0 O-C-N 124.378 1.725 . . . . 0.0 111.19 -179.661 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 59' ' ' ILE . . . . . . . . . . . . . 1.2 tt -172.33 113.26 0.38 Allowed Pre-proline 0 C--N 1.325 -0.487 0 O-C-N 124.411 1.069 . . . . 0.0 109.181 179.855 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 60' ' ' PRO . . . . . 0.415 ' HB3' ' HA ' ' A' ' 53' ' ' GLN . 29.7 Cg_endo -80.02 115.49 3.28 Favored 'Trans proline' 0 C--N 1.359 1.109 0 O-C-N 124.388 1.73 . . . . 0.0 112.333 -179.144 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 61' ' ' MET . . . . . 0.453 ' HG3' ' HD2' ' A' ' 62' ' ' PRO . 5.5 ttp -43.7 138.38 3.05 Favored Pre-proline 0 C--N 1.325 -0.481 0 O-C-N 124.483 1.114 . . . . 0.0 112.132 179.669 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 62' ' ' PRO . . . . . 0.453 ' HD2' ' HG3' ' A' ' 61' ' ' MET . 23.3 Cg_exo -45.37 105.75 0.08 OUTLIER 'Trans proline' 0 C--N 1.361 1.237 0 O-C-N 124.526 1.803 . . . . 0.0 111.672 179.805 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 63' ' ' PRO . . . . . . . . . . . . . 38.2 Cg_endo -81.97 93.27 0.94 Allowed 'Trans proline' 0 C--N 1.359 1.089 0 O-C-N 124.291 1.679 . . . . 0.0 111.136 -179.72 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 41.6 t30 -135.71 86.86 2.27 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.177 0.923 . . . . 0.0 109.651 179.958 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 65' ' ' ALA . . . . . 0.483 ' HA ' ' HB3' ' A' ' 49' ' ' LYS . . . -41.35 138.45 1.23 Allowed 'General case' 0 N--CA 1.449 -0.507 0 O-C-N 124.505 1.128 . . . . 0.0 112.882 -179.232 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 66' ' ' VAL . . . . . 0.58 HG12 ' N ' ' A' ' 67' ' ' SER . 2.3 t -117.66 -71.52 0.72 Allowed 'Isoleucine or valine' 0 CA--C 1.536 0.416 0 CA-C-N 114.882 -1.054 . . . . 0.0 108.397 178.998 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 67' ' ' SER . . . . . 0.58 ' N ' HG12 ' A' ' 66' ' ' VAL . 89.6 p -175.88 -138.14 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.741 1.276 . . . . 0.0 109.459 -179.773 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 6.8 m-20 -144.27 44.0 1.42 Allowed 'General case' 0 C--N 1.324 -0.539 0 O-C-N 124.13 0.893 . . . . 0.0 109.214 179.559 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -149.55 -66.02 0.22 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.719 1.262 . . . . 0.0 110.059 179.924 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 2.1 mt-10 -56.66 -36.61 69.76 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.539 1.149 . . . . 0.0 108.706 179.63 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -80.02 -32.03 39.58 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-N 114.144 -1.389 . . . . 0.0 108.909 178.97 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -65.09 -16.81 63.88 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.555 1.159 . . . . 0.0 111.581 -179.694 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 3.0 m -84.32 -45.27 12.97 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.265 0.978 . . . . 0.0 111.104 -179.653 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -81.74 -8.07 59.66 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.464 1.102 . . . . 0.0 111.329 -179.316 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -85.19 -34.74 21.99 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.201 0.938 . . . . 0.0 109.809 -179.871 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 4.5 ptmt -82.05 -15.85 52.12 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.553 1.158 . . . . 0.0 110.345 -179.47 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 77' ' ' TRP . . . . . 0.613 ' CZ3' ' CE2' ' A' ' 27' ' ' TYR . 38.6 t90 -88.31 -34.53 17.63 Favored 'General case' 0 C--N 1.324 -0.521 0 N-CA-C 106.931 -1.507 . . . . 0.0 106.931 179.038 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 78' ' ' VAL . . . . . 0.721 HG23 ' CE2' ' A' ' 27' ' ' TYR . 0.8 OUTLIER -64.79 -53.78 37.83 Favored 'Isoleucine or valine' 0 CA--C 1.543 0.689 0 N-CA-C 106.246 -1.761 . . . . 0.0 106.246 176.964 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 79' ' ' LEU . . . . . 0.623 ' N ' HG12 ' A' ' 78' ' ' VAL . 9.4 tp -60.95 -64.38 0.97 Allowed 'General case' 0 N--CA 1.453 -0.311 0 CA-C-N 113.625 -1.625 . . . . 0.0 110.239 -178.624 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -107.41 117.0 32.95 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.393 1.058 . . . . 0.0 109.973 -179.782 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 81' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -51.27 -49.65 60.78 Favored 'General case' 0 C--N 1.327 -0.401 0 O-C-N 124.38 1.05 . . . . 0.0 110.146 -179.912 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 1.5 ptpp? . . . . . 0 C--N 1.326 -0.444 0 O-C-N 124.424 1.078 . . . . 0.0 109.187 179.527 . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 1' ' ' GLU . . . . . . . . . . . . . 39.9 mm-40 . . . . . 0 N--CA 1.453 -0.313 0 N-CA-C 110.268 -0.271 . . . . 0.0 110.268 . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -128.98 145.85 58.28 Favored Pre-proline 0 C--N 1.325 -0.475 0 O-C-N 124.572 1.17 . . . . 0.0 109.118 179.999 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 3' ' ' PRO . . . . . 0.52 ' HG2' ' CD1' ' A' ' 77' ' ' TRP . 16.6 Cg_endo -77.42 -14.72 16.12 Favored 'Trans proline' 0 C--N 1.359 1.101 0 O-C-N 124.571 1.827 . . . . 0.0 111.947 -179.354 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 4' ' ' GLU . . . . . 0.509 ' HB3' ' CZ2' ' A' ' 77' ' ' TRP . 9.2 pt-20 -80.8 -28.16 36.37 Favored 'General case' 0 C--N 1.323 -0.555 0 O-C-N 124.707 1.254 . . . . 0.0 108.925 179.026 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 43.0 t -83.63 -29.18 7.6 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.435 0 CA-C-N 114.284 -1.325 . . . . 0.0 108.194 178.662 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 11.0 mt -81.87 -27.7 33.35 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.73 1.269 . . . . 0.0 108.833 179.328 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 7' ' ' PHE . . . . . 0.712 ' CZ ' HG23 ' A' ' 13' ' ' VAL . 0.5 OUTLIER -69.65 -23.47 63.48 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.809 1.318 . . . . 0.0 110.283 179.54 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -105.03 0.43 27.62 Favored 'General case' 0 N--CA 1.45 -0.432 0 O-C-N 124.317 1.01 . . . . 0.0 111.689 -179.628 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 0.0 OUTLIER -94.38 -8.79 37.74 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.22 0.95 . . . . 0.0 112.031 -178.619 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -109.41 -91.75 0.44 Allowed 'General case' 0 C--N 1.323 -0.58 0 O-C-N 124.234 0.959 . . . . 0.0 108.945 -179.835 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 11' ' ' GLY . . . . . 0.653 ' O ' HMC1 ' A' ' 83' ' ' HEM . . . -169.75 26.81 0.11 Allowed Glycine 0 CA--C 1.528 0.85 0 O-C-N 124.481 1.113 . . . . 0.0 112.103 179.868 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 12' ' ' CYS . . . . . 0.602 ' HB2' ' CD1' ' A' ' 7' ' ' PHE . 11.4 m -66.9 -50.4 62.56 Favored 'General case' 0 N--CA 1.449 -0.509 0 N-CA-C 108.615 -0.883 . . . . 0.0 108.615 179.864 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 13' ' ' VAL . . . . . 0.712 HG23 ' CZ ' ' A' ' 7' ' ' PHE . 0.4 OUTLIER -62.43 -4.92 1.18 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.718 1.261 . . . . 0.0 113.823 -177.523 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -52.82 -28.74 24.03 Favored 'General case' 0 C--N 1.324 -0.535 0 O-C-N 125.501 1.75 . . . . 0.0 107.934 178.277 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 1.8 p -163.13 20.29 0.08 Allowed 'General case' 0 C--O 1.238 0.49 0 O-C-N 124.927 1.392 . . . . 0.0 112.594 -179.504 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 16' ' ' HIS . . . . . 0.618 ' CE1' ' HD2' ' A' ' 25' ' ' PRO . 3.7 m-70 -100.33 -69.0 0.79 Allowed 'General case' 0 N--CA 1.451 -0.41 0 N-CA-C 113.486 0.921 . . . . 0.0 113.486 -179.032 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 17' ' ' ALA . . . . . 0.847 ' C ' HD13 ' A' ' 18' ' ' ILE . . . 70.24 151.73 0.1 Allowed 'General case' 0 CA--C 1.539 0.527 0 N-CA-C 108.504 -0.924 . . . . 0.0 108.504 -177.702 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 18' ' ' ILE . . . . . 0.847 HD13 ' C ' ' A' ' 17' ' ' ALA . 2.6 mm -99.39 33.8 0.29 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 N-CA-C 107.121 -1.437 . . . . 0.0 107.121 -179.656 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 19' ' ' ASP . . . . . 0.403 ' HB3' ' NZ ' ' A' ' 28' ' ' LYS . 0.0 OUTLIER 174.51 9.83 0.0 OUTLIER 'General case' 0 C--O 1.243 0.755 0 N-CA-C 116.819 2.155 . . . . 0.0 116.819 178.976 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -142.22 163.64 32.31 Favored 'General case' 0 C--N 1.323 -0.572 0 CA-C-N 118.522 0.601 . . . . 0.0 111.304 178.945 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 21' ' ' LYS . . . . . 0.405 ' NZ ' ' HB3' ' A' ' 56' ' ' TRP . 23.5 tttt -113.19 149.6 33.46 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.517 1.136 . . . . 0.0 110.174 -179.525 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 22' ' ' MET . . . . . 0.5 ' CG ' HG23 ' A' ' 23' ' ' VAL . 0.8 OUTLIER -157.55 -85.2 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.484 0 CA-C-N 114.711 -1.131 . . . . 0.0 109.715 179.562 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 23' ' ' VAL . . . . . 0.5 HG23 ' CG ' ' A' ' 22' ' ' MET . 17.4 t -108.97 -50.61 7.05 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.513 0 N-CA-C 107.471 -1.307 . . . . 0.0 107.471 177.862 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 24' ' ' GLY . . . . . 0.533 ' HA2' ' C2D' ' A' ' 83' ' ' HEM . . . -95.73 168.27 26.27 Favored Glycine 0 CA--C 1.536 1.344 0 N-CA-C 110.016 -1.234 . . . . 0.0 110.016 178.593 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 25' ' ' PRO . . . . . 0.664 ' CD ' ' CHA' ' A' ' 83' ' ' HEM . 73.8 Cg_endo -71.69 143.03 40.99 Favored 'Trans proline' 0 C--N 1.358 1.043 0 C-N-CA 122.156 1.904 . . . . 0.0 112.111 -179.23 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 26' ' ' ALA . . . . . 0.71 ' HB3' ' HB2' ' A' ' 29' ' ' ASP . . . -68.04 126.44 29.48 Favored 'General case' 0 CA--C 1.544 0.717 0 N-CA-C 105.276 -2.12 . . . . 0.0 105.276 175.2 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 27' ' ' TYR . . . . . 0.593 ' HB2' HD12 ' A' ' 18' ' ' ILE . 10.9 m-85 -58.3 -41.46 84.49 Favored 'General case' 0 C--N 1.321 -0.64 0 O-C-N 125.524 1.765 . . . . 0.0 109.333 -179.309 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 28' ' ' LYS . . . . . 0.403 ' NZ ' ' HB3' ' A' ' 19' ' ' ASP . 1.7 ttpm? -67.04 -30.06 70.03 Favored 'General case' 0 CA--C 1.536 0.438 0 O-C-N 125.292 1.62 . . . . 0.0 109.813 179.901 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 29' ' ' ASP . . . . . 0.71 ' HB2' ' HB3' ' A' ' 26' ' ' ALA . 11.7 m-20 -71.9 -32.63 67.6 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.817 1.323 . . . . 0.0 109.111 179.652 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 30' ' ' VAL . . . . . 0.446 HG11 ' HB ' ' A' ' 78' ' ' VAL . 3.8 t -64.01 -33.5 62.62 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.52 0 N-CA-C 107.151 -1.426 . . . . 0.0 107.151 178.713 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 31' ' ' ALA . . . . . 0.56 ' O ' ' HB2' ' A' ' 35' ' ' ALA . . . -72.29 -30.77 65.13 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 114.205 -1.361 . . . . 0.0 108.974 179.055 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -90.78 14.22 14.15 Favored 'General case' 0 C--N 1.328 -0.354 0 O-C-N 124.555 1.159 . . . . 0.0 111.386 -179.256 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 33' ' ' LYS . . . . . 0.553 ' HG3' ' CH2' ' A' ' 56' ' ' TRP . 0.1 OUTLIER -124.49 -78.8 0.6 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.466 1.104 . . . . 0.0 108.547 178.777 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 0.5 OUTLIER -49.17 -65.63 0.53 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.749 1.281 . . . . 0.0 109.503 178.745 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 35' ' ' ALA . . . . . 0.56 ' HB2' ' O ' ' A' ' 31' ' ' ALA . . . 37.18 86.98 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.508 0 N-CA-C 114.22 1.192 . . . . 0.0 114.22 177.688 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 86.7 37.04 8.87 Favored Glycine 0 CA--C 1.53 0.974 0 O-C-N 124.038 0.837 . . . . 0.0 111.416 178.891 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -135.09 79.98 1.82 Allowed 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.631 0.842 . . . . 0.0 110.052 179.964 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -111.54 90.45 3.34 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 114.835 -1.075 . . . . 0.0 109.679 -179.66 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . -135.37 10.99 4.38 Favored Glycine 0 CA--C 1.529 0.918 0 O-C-N 124.515 1.134 . . . . 0.0 111.809 179.587 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -131.2 -105.14 0.27 Allowed 'General case' 0 C--N 1.325 -0.466 0 N-CA-C 108.611 -0.885 . . . . 0.0 108.611 179.712 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 4.2 tt0 84.98 -35.57 0.05 Allowed 'General case' 0 C--N 1.323 -0.586 0 O-C-N 124.319 1.012 . . . . 0.0 111.247 -179.866 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -86.81 -44.96 11.33 Favored 'General case' 0 C--N 1.324 -0.539 0 O-C-N 124.397 1.061 . . . . 0.0 108.436 179.284 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 8.6 tt0 -87.05 -4.84 59.19 Favored 'General case' 0 CA--C 1.541 0.606 0 O-C-N 125.111 1.507 . . . . 0.0 110.96 179.053 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 44' ' ' LEU . . . . . 0.462 HD12 ' HG ' ' A' ' 79' ' ' LEU . 0.2 OUTLIER -87.97 -33.92 18.25 Favored 'General case' 0 C--N 1.322 -0.604 0 N-CA-C 106.368 -1.715 . . . . 0.0 106.368 176.856 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -78.88 -24.32 44.29 Favored 'General case' 0 CA--C 1.54 0.563 0 CA-C-N 114.101 -1.408 . . . . 0.0 107.308 176.346 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 46' ' ' GLN . . . . . . . . . . . . . 29.4 tp60 -71.41 -21.76 61.95 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 114.06 -1.427 . . . . 0.0 109.44 179.653 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 47' ' ' ARG . . . . . 0.464 ' CG ' ' HA ' ' A' ' 52' ' ' SER . 5.5 mpt_? -76.39 -35.37 58.65 Favored 'General case' 0 CA--C 1.539 0.531 0 O-C-N 125.209 1.568 . . . . 0.0 107.994 177.417 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 48' ' ' ILE . . . . . 0.588 HD13 HMB3 ' A' ' 83' ' ' HEM . 14.9 mt -70.82 -8.37 10.88 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.397 0 O-C-N 125.173 1.546 . . . . 0.0 110.283 178.701 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 1.3 tttt -129.83 3.05 4.9 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.293 0.996 . . . . 0.0 112.038 -178.946 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 50' ' ' ASN . . . . . 0.454 ' HA ' ' HB3' ' A' ' 63' ' ' PRO . 10.6 t-20 -144.98 7.47 1.2 Allowed 'General case' 0 N--CA 1.451 -0.409 0 O-C-N 124.157 0.911 . . . . 0.0 112.31 -179.225 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 80.27 152.0 7.64 Favored Glycine 0 CA--C 1.531 1.043 0 O-C-N 124.115 0.885 . . . . 0.0 111.311 179.536 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 52' ' ' SER . . . . . 0.464 ' HA ' ' CG ' ' A' ' 47' ' ' ARG . 0.3 OUTLIER -72.77 -165.56 0.22 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.536 0.786 . . . . 0.0 110.086 179.971 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 27.8 mm-40 -114.4 -30.97 6.4 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.583 1.177 . . . . 0.0 110.507 -179.778 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 118.47 97.05 1.8 Allowed Glycine 0 CA--C 1.531 1.05 0 O-C-N 124.39 1.056 . . . . 0.0 110.887 -179.916 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 18.0 t -128.22 -43.32 0.91 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.5 0.764 . . . . 0.0 109.96 -179.816 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 56' ' ' TRP . . . . . 0.553 ' CH2' ' HG3' ' A' ' 33' ' ' LYS . 0.0 OUTLIER -110.41 -30.92 7.47 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.452 1.095 . . . . 0.0 108.215 179.932 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -138.93 143.55 14.25 Favored Glycine 0 CA--C 1.53 0.988 0 O-C-N 124.483 1.115 . . . . 0.0 110.962 -179.934 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 58' ' ' PRO . . . . . . . . . . . . . 44.1 Cg_endo -83.08 15.06 2.18 Favored 'Trans proline' 0 C--N 1.36 1.148 0 O-C-N 124.333 1.702 . . . . 0.0 112.555 -179.508 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 59' ' ' ILE . . . . . . . . . . . . . 0.5 OUTLIER -119.05 95.84 49.67 Favored Pre-proline 0 C--N 1.325 -0.474 0 O-C-N 124.288 0.993 . . . . 0.0 109.782 -179.704 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 60' ' ' PRO . . . . . . . . . . . . . 1.6 Cg_endo -52.93 148.51 29.31 Favored 'Trans proline' 0 C--N 1.363 1.307 0 O-C-N 124.487 1.783 . . . . 0.0 110.713 179.396 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 61' ' ' MET . . . . . 0.559 ' HB2' ' CHD' ' A' ' 83' ' ' HEM . 0.9 OUTLIER -78.01 140.19 61.92 Favored Pre-proline 0 C--N 1.325 -0.471 0 O-C-N 124.682 1.239 . . . . 0.0 112.041 -179.319 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 62' ' ' PRO . . . . . . . . . . . . . 34.5 Cg_exo -41.33 109.51 0.11 Allowed 'Trans proline' 0 C--N 1.362 1.276 0 O-C-N 124.603 1.844 . . . . 0.0 112.386 -178.757 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 63' ' ' PRO . . . . . 0.454 ' HB3' ' HA ' ' A' ' 50' ' ' ASN . 1.7 Cg_endo -68.18 154.48 72.25 Favored 'Trans proline' 0 C--N 1.362 1.254 0 O-C-N 124.367 1.72 . . . . 0.0 110.707 179.611 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 7.5 m120 72.35 134.91 0.04 OUTLIER 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.639 1.212 . . . . 0.0 109.494 -179.949 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -170.27 -42.54 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.472 0 CA-C-N 114.901 -1.045 . . . . 0.0 109.058 -179.985 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 66' ' ' VAL . . . . . 0.522 HG23 ' N ' ' A' ' 67' ' ' SER . 15.6 m -141.01 -146.73 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.423 0 O-C-N 124.457 1.098 . . . . 0.0 108.897 179.722 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 67' ' ' SER . . . . . 0.522 ' N ' HG23 ' A' ' 66' ' ' VAL . 30.8 t -98.84 -92.44 0.26 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.485 1.116 . . . . 0.0 110.004 -179.995 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 3.3 t0 -172.25 34.46 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.406 1.066 . . . . 0.0 109.253 179.984 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 21.7 t0 -130.77 -56.93 1.05 Allowed 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.524 1.14 . . . . 0.0 108.531 179.395 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 3.3 mm-40 -60.37 -23.38 64.25 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.767 1.292 . . . . 0.0 109.43 178.87 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -84.99 -42.13 15.19 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.652 1.22 . . . . 0.0 108.66 179.247 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 33.3 tt0 -50.81 -30.17 13.57 Favored 'General case' 0 C--N 1.326 -0.414 0 O-C-N 124.652 1.22 . . . . 0.0 110.654 179.902 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 2.9 m -72.83 -51.15 19.98 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.448 1.092 . . . . 0.0 110.502 179.997 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 74' ' ' LEU . . . . . 0.436 ' HB3' ' CMB' ' A' ' 83' ' ' HEM . 0.3 OUTLIER -74.16 -2.47 24.81 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.451 1.095 . . . . 0.0 110.558 179.651 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -90.32 -23.36 21.16 Favored 'General case' 0 C--N 1.324 -0.533 0 O-C-N 124.201 0.938 . . . . 0.0 110.34 -179.213 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 5.4 tptt -95.28 -17.77 21.39 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.201 0.938 . . . . 0.0 109.191 179.856 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 77' ' ' TRP . . . . . 0.52 ' CD1' ' HG2' ' A' ' 3' ' ' PRO . 28.2 t90 -72.14 -39.8 68.53 Favored 'General case' 0 C--N 1.324 -0.525 0 N-CA-C 107.161 -1.422 . . . . 0.0 107.161 179.017 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 78' ' ' VAL . . . . . 0.713 HG21 ' CMA' ' A' ' 83' ' ' HEM . 0.0 OUTLIER -59.76 -63.05 0.8 Allowed 'Isoleucine or valine' 0 CA--C 1.548 0.891 0 O-C-N 125.058 1.474 . . . . 0.0 107.228 178.929 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 79' ' ' LEU . . . . . 0.462 ' HG ' HD12 ' A' ' 44' ' ' LEU . 0.6 OUTLIER -56.08 -26.48 49.69 Favored 'General case' 0 N--CA 1.45 -0.445 0 CA-C-N 114.511 -1.222 . . . . 0.0 111.361 -179.505 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 5.0 m -118.56 62.05 0.78 Allowed 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.779 1.299 . . . . 0.0 111.486 -178.781 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 81' ' ' GLN . . . . . 0.499 ' CB ' ' HB2' ' A' ' 31' ' ' ALA . 0.0 OUTLIER -107.45 152.24 24.47 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.551 1.157 . . . . 0.0 109.266 178.693 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 C--N 1.325 -0.496 0 O-C-N 124.504 1.128 . . . . 0.0 109.333 -179.65 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 83' ' ' HEM . . . . . 0.713 ' CMA' HG21 ' A' ' 78' ' ' VAL . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 1' ' ' GLU . . . . . . . . . . . . . 1.3 tp10 . . . . . 0 N--CA 1.453 -0.289 0 N-CA-C 110.237 -0.282 . . . . 0.0 110.237 . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 2' ' ' ASP . . . . . 0.475 ' N ' ' HD3' ' A' ' 3' ' ' PRO . 7.3 m-20 -170.25 62.8 0.43 Allowed Pre-proline 0 C--N 1.325 -0.466 0 O-C-N 124.497 1.123 . . . . 0.0 108.953 179.762 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 3' ' ' PRO . . . . . 0.527 ' HB2' ' CG ' ' A' ' 77' ' ' TRP . 42.0 Cg_endo -82.81 -21.85 4.68 Favored 'Trans proline' 0 C--N 1.359 1.088 0 O-C-N 124.435 1.755 . . . . 0.0 110.007 -179.996 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 2.2 mt-10 -82.42 -24.15 34.51 Favored 'General case' 0 C--N 1.324 -0.538 0 O-C-N 124.831 1.332 . . . . 0.0 109.091 178.243 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 5' ' ' VAL . . . . . 0.458 ' HB ' ' HB3' ' A' ' 2' ' ' ASP . 2.2 t -85.12 -28.83 6.49 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.356 0 O-C-N 124.758 1.286 . . . . 0.0 108.39 178.798 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 6' ' ' LEU . . . . . 0.642 ' HB3' HD11 ' A' ' 74' ' ' LEU . 0.7 OUTLIER -81.84 -31.02 31.85 Favored 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.718 1.261 . . . . 0.0 108.339 178.912 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 7' ' ' PHE . . . . . 0.776 ' CZ ' HG23 ' A' ' 13' ' ' VAL . 11.1 t80 -66.34 -24.72 66.57 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.821 1.326 . . . . 0.0 111.484 -179.94 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -98.69 -9.08 25.14 Favored 'General case' 0 C--N 1.326 -0.429 0 O-C-N 124.568 1.168 . . . . 0.0 111.694 -178.881 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 25.3 t-20 -88.93 -63.79 1.24 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.114 0.883 . . . . 0.0 111.509 -178.905 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 2.5 mmpp? -47.32 -36.15 8.99 Favored 'General case' 0 C--N 1.326 -0.421 0 O-C-N 124.117 0.886 . . . . 0.0 111.702 -178.613 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 11' ' ' GLY . . . . . 0.535 ' O ' HMC1 ' A' ' 83' ' ' HEM . . . 115.19 26.15 3.58 Favored Glycine 0 CA--C 1.53 0.974 0 O-C-N 124.344 1.028 . . . . 0.0 111.127 -179.853 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 12' ' ' CYS . . . . . 0.6 ' HB2' ' CD1' ' A' ' 7' ' ' PHE . 1.8 m -68.39 -48.56 64.37 Favored 'General case' 0 N--CA 1.447 -0.595 0 N-CA-C 108.255 -1.017 . . . . 0.0 108.255 179.965 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 13' ' ' VAL . . . . . 0.776 HG23 ' CZ ' ' A' ' 7' ' ' PHE . 0.3 OUTLIER -63.85 -6.22 2.36 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.983 1.427 . . . . 0.0 113.284 -177.687 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -52.76 -28.56 22.79 Favored 'General case' 0 CA--C 1.539 0.538 0 O-C-N 125.772 1.92 . . . . 0.0 108.031 179.295 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 5.9 p -157.44 17.71 0.27 Allowed 'General case' 0 N--CA 1.45 -0.448 0 O-C-N 124.904 1.377 . . . . 0.0 111.864 -179.328 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 16' ' ' HIS . . . . . 0.586 ' CE1' ' HD2' ' A' ' 25' ' ' PRO . 3.6 m-70 -99.61 -172.62 2.28 Favored 'General case' 0 CA--C 1.54 0.565 0 O-C-N 123.804 0.69 . . . . 0.0 110.699 -179.97 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 17' ' ' ALA . . . . . 0.722 ' HB1' HG23 ' A' ' 20' ' ' THR . . . 179.09 156.23 0.49 Allowed 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 113.973 -1.467 . . . . 0.0 108.903 178.813 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 18' ' ' ILE . . . . . 0.594 HD12 ' N ' ' A' ' 19' ' ' ASP . 0.6 OUTLIER -95.28 -57.56 4.32 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.38 0 O-C-N 124.33 1.019 . . . . 0.0 111.789 -178.872 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 19' ' ' ASP . . . . . 0.594 ' N ' HD12 ' A' ' 18' ' ' ILE . 3.3 p-10 -100.49 5.52 44.14 Favored 'General case' 0 N--CA 1.45 -0.446 0 CA-C-N 115.463 -0.789 . . . . 0.0 113.053 -177.909 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 20' ' ' THR . . . . . 0.722 HG23 ' HB1' ' A' ' 17' ' ' ALA . 0.2 OUTLIER -124.8 165.27 18.31 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.212 0.945 . . . . 0.0 110.435 179.63 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 2.2 ttmt -98.62 159.99 14.58 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.691 1.244 . . . . 0.0 110.12 -179.399 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 22' ' ' MET . . . . . . . . . . . . . 1.1 tpt -177.56 -145.93 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.468 0 CA-C-N 114.939 -1.028 . . . . 0.0 110.308 -179.899 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 23' ' ' VAL . . . . . 0.884 HG12 HMD3 ' A' ' 83' ' ' HEM . 3.1 t -68.67 -39.62 80.58 Favored 'Isoleucine or valine' 0 CA--C 1.541 0.612 0 N-CA-C 106.201 -1.778 . . . . 0.0 106.201 177.44 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -86.83 -178.16 49.17 Favored Glycine 0 CA--C 1.532 1.129 0 CA-C-N 113.789 -1.551 . . . . 0.0 110.266 178.668 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 25' ' ' PRO . . . . . 0.586 ' HD2' ' CE1' ' A' ' 16' ' ' HIS . 93.3 Cg_endo -102.16 139.65 0.17 Allowed 'Trans proline' 0 C--N 1.353 0.773 0 C-N-CA 122.798 2.332 . . . . 0.0 110.752 -178.26 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -57.82 114.39 2.28 Favored 'General case' 0 C--N 1.324 -0.542 0 N-CA-C 106.489 -1.671 . . . . 0.0 106.489 177.54 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 27' ' ' TYR . . . . . 0.891 ' CE2' HG13 ' A' ' 78' ' ' VAL . 3.8 m-85 -58.03 -21.98 47.79 Favored 'General case' 0 C--N 1.324 -0.535 0 O-C-N 124.797 1.311 . . . . 0.0 112.042 -177.705 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -74.53 -43.0 57.89 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.644 1.215 . . . . 0.0 108.859 179.585 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 12.7 m-20 -66.98 -34.05 76.91 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.882 1.364 . . . . 0.0 109.5 179.812 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 30' ' ' VAL . . . . . 0.487 HG11 HG12 ' A' ' 78' ' ' VAL . 2.6 t -71.9 -31.45 40.88 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 N-CA-C 107.704 -1.221 . . . . 0.0 107.704 178.647 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -95.03 12.13 29.59 Favored 'General case' 0 C--N 1.328 -0.344 0 O-C-N 125.036 1.46 . . . . 0.0 110.31 179.831 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -124.56 5.31 8.26 Favored 'General case' 0 CA--C 1.54 0.578 0 O-C-N 123.949 0.781 . . . . 0.0 109.947 178.2 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 4.8 mmtm -122.4 -50.86 1.98 Allowed 'General case' 0 C--N 1.323 -0.579 0 N-CA-C 107.173 -1.417 . . . . 0.0 107.173 177.773 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 13.7 m-85 -93.91 -33.11 13.62 Favored 'General case' 0 CA--C 1.54 0.589 0 CA-C-N 114.343 -1.299 . . . . 0.0 108.85 177.174 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . 50.0 -157.84 0.09 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 125.203 1.565 . . . . 0.0 109.456 179.114 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . -88.21 39.98 3.1 Favored Glycine 0 CA--C 1.531 1.038 0 O-C-N 124.508 1.13 . . . . 0.0 110.859 179.665 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 1.5 mm-40 -66.25 -27.03 67.64 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.345 0.673 . . . . 0.0 109.408 179.332 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . 58.22 -179.84 0.07 Allowed 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 114.678 -1.146 . . . . 0.0 110.103 179.252 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 86.29 -23.03 10.4 Favored Glycine 0 CA--C 1.529 0.938 0 CA-C-N 114.718 -1.128 . . . . 0.0 111.971 -179.891 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -117.81 49.25 1.26 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.23 0.606 . . . . 0.0 109.649 -179.807 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 2.8 pt-20 -115.32 21.53 14.03 Favored 'General case' 0 C--N 1.324 -0.537 0 O-C-N 124.594 1.184 . . . . 0.0 109.927 179.2 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -101.59 -66.17 0.93 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.702 1.251 . . . . 0.0 109.111 -179.996 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -75.41 -1.56 24.49 Favored 'General case' 0 CA--C 1.54 0.577 0 O-C-N 124.647 1.217 . . . . 0.0 110.775 178.647 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -87.16 -34.9 18.89 Favored 'General case' 0 C--N 1.323 -0.565 0 N-CA-C 106.895 -1.52 . . . . 0.0 106.895 176.811 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 45' ' ' ALA . . . . . 0.465 ' HA ' ' HB2' ' A' ' 75' ' ' ALA . . . -74.5 -24.58 59.01 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 125.137 1.523 . . . . 0.0 109.175 178.526 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 46' ' ' GLN . . . . . . . . . . . . . 3.6 mt-30 -81.15 -18.24 47.03 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.815 1.322 . . . . 0.0 109.982 -179.932 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 47' ' ' ARG . . . . . 0.429 ' HG2' ' HB2' ' A' ' 52' ' ' SER . 79.6 mtt180 -75.35 -32.07 60.76 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 125.074 1.484 . . . . 0.0 108.371 177.762 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 48' ' ' ILE . . . . . 0.845 HD13 HMB3 ' A' ' 83' ' ' HEM . 21.3 mt -76.76 -16.3 14.79 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.388 0 O-C-N 125.002 1.439 . . . . 0.0 109.925 178.711 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 49' ' ' LYS . . . . . 0.612 ' HG3' HG23 ' A' ' 66' ' ' VAL . 0.1 OUTLIER -114.52 -0.76 13.61 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.242 0.963 . . . . 0.0 112.809 -177.839 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 78.8 m-20 -134.91 -9.63 2.34 Favored 'General case' 0 N--CA 1.448 -0.542 0 O-C-N 124.379 1.05 . . . . 0.0 113.405 -179.192 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 74.72 126.86 0.17 Allowed Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.099 0.874 . . . . 0.0 110.98 179.933 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 52' ' ' SER . . . . . 0.459 ' HB3' ' CGD' ' A' ' 83' ' ' HEM . 14.1 t -112.12 166.97 10.78 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.355 0.679 . . . . 0.0 109.692 179.679 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -170.61 106.26 0.29 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.49 1.119 . . . . 0.0 110.465 -179.744 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 133.36 43.35 0.15 Allowed Glycine 0 CA--C 1.53 0.976 0 O-C-N 124.408 1.067 . . . . 0.0 111.165 179.871 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 55' ' ' VAL . . . . . 0.542 HG12 ' CD1' ' A' ' 56' ' ' TRP . 22.0 t -131.39 -65.19 0.62 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.463 0.743 . . . . 0.0 109.128 179.98 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 56' ' ' TRP . . . . . 0.542 ' CD1' HG12 ' A' ' 55' ' ' VAL . 2.2 m95 -110.44 -43.05 3.95 Favored 'General case' 0 C--N 1.325 -0.46 0 N-CA-C 107.757 -1.201 . . . . 0.0 107.757 179.243 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -159.43 167.22 35.03 Favored Glycine 0 CA--C 1.531 1.055 0 O-C-N 124.666 1.228 . . . . 0.0 110.974 -179.9 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 58' ' ' PRO . . . . . . . . . . . . . 1.1 Cg_endo -68.21 -155.89 0.04 OUTLIER 'Trans proline' 0 C--N 1.36 1.159 0 O-C-N 124.495 1.787 . . . . 0.0 110.753 179.433 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 59' ' ' ILE . . . . . . . . . . . . . 0.5 OUTLIER 73.81 111.6 0.03 OUTLIER Pre-proline 0 C--N 1.325 -0.496 0 O-C-N 124.537 1.148 . . . . 0.0 109.267 179.92 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 60' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -76.83 122.98 6.58 Favored 'Trans proline' 0 C--N 1.36 1.178 0 O-C-N 124.425 1.75 . . . . 0.0 111.116 179.816 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 61' ' ' MET . . . . . 0.433 ' HB2' ' C1D' ' A' ' 83' ' ' HEM . 3.9 ttp -67.1 141.44 96.42 Favored Pre-proline 0 C--N 1.325 -0.478 0 O-C-N 124.484 1.115 . . . . 0.0 110.821 -179.97 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 62' ' ' PRO . . . . . 0.467 ' CG ' HBC2 ' A' ' 83' ' ' HEM . 21.5 Cg_exo -47.33 107.32 0.12 Allowed 'Trans proline' 0 C--N 1.362 1.253 0 O-C-N 124.492 1.785 . . . . 0.0 111.58 -179.223 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 63' ' ' PRO . . . . . . . . . . . . . 14.8 Cg_endo -69.02 99.07 0.65 Allowed 'Trans proline' 0 C--N 1.361 1.187 0 O-C-N 124.408 1.741 . . . . 0.0 110.446 179.35 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER -65.26 -167.4 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.458 1.099 . . . . 0.0 109.677 -179.512 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -155.08 94.28 1.62 Allowed 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.426 1.079 . . . . 0.0 109.164 -179.992 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 66' ' ' VAL . . . . . 0.612 HG23 ' HG3' ' A' ' 49' ' ' LYS . 0.6 OUTLIER -121.8 -143.22 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.323 -0.556 0 O-C-N 124.461 1.101 . . . . 0.0 109.147 -179.951 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 5.1 m -163.93 41.2 0.09 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.4 1.063 . . . . 0.0 110.189 -179.881 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 9.6 t70 70.17 148.38 0.07 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.468 1.105 . . . . 0.0 109.547 179.847 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 69' ' ' ASP . . . . . 0.426 ' O ' ' CB ' ' A' ' 70' ' ' GLU . 8.0 t0 69.77 88.05 0.11 Allowed 'General case' 0 CA--C 1.54 0.568 0 N-CA-C 107.817 -1.179 . . . . 0.0 107.817 -178.964 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 70' ' ' GLU . . . . . 0.426 ' CB ' ' O ' ' A' ' 69' ' ' ASP . 11.3 mm-40 140.37 -37.71 0.01 OUTLIER 'General case' 0 CA--C 1.559 1.317 0 N-CA-C 105.78 -1.933 . . . . 0.0 105.78 -177.811 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -97.47 -25.02 15.33 Favored 'General case' 0 CA--C 1.538 0.513 0 CA-C-N 112.609 -2.087 . . . . 0.0 107.137 175.966 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 11.2 tt0 -67.96 -36.95 80.94 Favored 'General case' 0 C--N 1.327 -0.382 0 O-C-N 125.029 1.456 . . . . 0.0 109.904 179.322 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -71.61 -45.1 63.11 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.45 1.094 . . . . 0.0 110.114 179.813 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 74' ' ' LEU . . . . . 0.642 HD11 ' HB3' ' A' ' 6' ' ' LEU . 0.4 OUTLIER -59.24 -41.37 88.58 Favored 'General case' 0 C--N 1.326 -0.421 0 O-C-N 124.554 1.159 . . . . 0.0 110.355 -179.547 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 75' ' ' ALA . . . . . 0.465 ' HB2' ' HA ' ' A' ' 45' ' ' ALA . . . -66.86 -31.71 72.5 Favored 'General case' 0 N--CA 1.45 -0.449 0 O-C-N 124.304 1.003 . . . . 0.0 111.22 -179.047 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -76.6 -21.24 55.83 Favored 'General case' 0 C--N 1.323 -0.548 0 CA-C-N 115.055 -0.975 . . . . 0.0 109.381 -179.349 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 77' ' ' TRP . . . . . 0.635 ' CE3' ' CE2' ' A' ' 27' ' ' TYR . 36.3 t90 -79.47 -25.85 41.8 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.461 1.101 . . . . 0.0 108.967 -179.799 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 78' ' ' VAL . . . . . 1.046 HG21 HMA2 ' A' ' 83' ' ' HEM . 0.0 OUTLIER -77.1 -52.33 16.91 Favored 'Isoleucine or valine' 0 CA--C 1.551 0.991 0 N-CA-C 106.394 -1.706 . . . . 0.0 106.394 177.802 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -50.67 -71.44 0.06 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 125.082 1.489 . . . . 0.0 108.887 179.17 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 2.1 p -96.42 133.62 40.61 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.811 1.32 . . . . 0.0 110.121 -179.885 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 81' ' ' GLN . . . . . . . . . . . . . 1.2 pp0? -92.13 -177.71 4.76 Favored 'General case' 0 C--N 1.327 -0.389 0 O-C-N 124.419 1.074 . . . . 0.0 110.21 179.994 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 22.7 tttt . . . . . 0 C--N 1.324 -0.51 0 O-C-N 124.54 1.15 . . . . 0.0 109.21 179.791 . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 83' ' ' HEM . . . . . 1.046 HMA2 HG21 ' A' ' 78' ' ' VAL . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 1' ' ' GLU . . . . . . . . . . . . . 16.0 tt0 . . . . . 0 N--CA 1.453 -0.284 0 N-CA-C 110.206 -0.294 . . . . 0.0 110.206 . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 11.2 m-20 -141.61 82.91 13.63 Favored Pre-proline 0 C--N 1.325 -0.473 0 O-C-N 124.447 1.092 . . . . 0.0 109.086 179.849 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 3' ' ' PRO . . . . . 0.527 ' HB2' ' CG ' ' A' ' 77' ' ' TRP . 20.2 Cg_endo -72.09 -12.89 28.45 Favored 'Trans proline' 0 C--N 1.36 1.172 0 O-C-N 124.562 1.822 . . . . 0.0 111.18 179.692 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 4' ' ' GLU . . . . . 0.532 ' HG2' ' CZ2' ' A' ' 77' ' ' TRP . 13.8 mt-10 -81.63 -27.38 34.17 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.608 1.192 . . . . 0.0 108.967 179.298 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 75.1 t -85.93 -23.37 7.03 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.537 0 O-C-N 124.925 1.39 . . . . 0.0 108.371 178.185 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 6' ' ' LEU . . . . . 0.604 ' HB3' HD21 ' A' ' 74' ' ' LEU . 0.3 OUTLIER -80.43 -40.59 26.05 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.542 1.151 . . . . 0.0 110.226 -179.775 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 7' ' ' PHE . . . . . 0.796 ' CZ ' HG23 ' A' ' 13' ' ' VAL . 4.6 t80 -72.36 -21.84 61.24 Favored 'General case' 0 C--N 1.327 -0.386 0 O-C-N 124.533 1.146 . . . . 0.0 111.635 -179.527 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 6.3 tptt -95.7 -7.73 36.56 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.681 1.238 . . . . 0.0 110.464 -179.614 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 11.7 t-20 -45.75 -74.69 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.066 0.854 . . . . 0.0 110.416 179.979 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 174.35 80.37 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.573 1.171 . . . . 0.0 109.635 179.874 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 11' ' ' GLY . . . . . 0.677 ' O ' HMC1 ' A' ' 83' ' ' HEM . . . 174.15 -64.95 0.11 Allowed Glycine 0 CA--C 1.527 0.815 0 O-C-N 124.658 1.224 . . . . 0.0 113.052 179.731 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 12' ' ' CYS . . . . . 0.555 ' CB ' ' CD1' ' A' ' 7' ' ' PHE . 59.9 m -59.61 -60.41 3.88 Favored 'General case' 0 N--CA 1.449 -0.483 0 O-C-N 124.061 0.506 . . . . 0.0 110.813 -178.498 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 13' ' ' VAL . . . . . 0.796 HG23 ' CZ ' ' A' ' 7' ' ' PHE . 0.3 OUTLIER -63.97 -4.39 1.49 Allowed 'Isoleucine or valine' 0 CA--C 1.537 0.45 0 N-CA-C 113.793 1.034 . . . . 0.0 113.793 -177.178 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -53.58 -24.79 14.76 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 125.898 1.999 . . . . 0.0 108.54 179.447 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 1.6 p -165.35 21.55 0.05 OUTLIER 'General case' 0 C--O 1.238 0.493 0 O-C-N 125.089 1.493 . . . . 0.0 113.21 -179.328 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 16' ' ' HIS . . . . . 0.574 ' CE1' ' HD2' ' A' ' 25' ' ' PRO . 2.0 m-70 -97.44 -74.34 0.58 Allowed 'General case' 0 C--N 1.326 -0.419 0 N-CA-C 115.544 1.683 . . . . 0.0 115.544 -178.028 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 17' ' ' ALA . . . . . 0.589 ' HB1' HG23 ' A' ' 20' ' ' THR . . . 72.0 158.11 0.19 Allowed 'General case' 0 CA--C 1.541 0.6 0 N-CA-C 107.156 -1.424 . . . . 0.0 107.156 -175.601 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 18' ' ' ILE . . . . . 0.613 HD12 ' N ' ' A' ' 19' ' ' ASP . 1.1 pp -101.9 -53.25 7.69 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 O-C-N 124.273 0.983 . . . . 0.0 113.378 -177.963 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 19' ' ' ASP . . . . . 0.613 ' N ' HD12 ' A' ' 18' ' ' ILE . 0.1 OUTLIER -93.54 11.75 27.59 Favored 'General case' 0 N--CA 1.452 -0.348 0 CA-C-N 115.412 -0.813 . . . . 0.0 111.49 -178.548 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 20' ' ' THR . . . . . 0.589 HG23 ' HB1' ' A' ' 17' ' ' ALA . 0.1 OUTLIER -136.32 161.9 34.5 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.427 1.079 . . . . 0.0 110.052 179.028 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -130.1 128.67 42.34 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.75 1.281 . . . . 0.0 109.585 -179.539 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 22' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -130.21 -88.94 0.49 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.338 1.024 . . . . 0.0 110.122 179.545 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 1.5 t -96.52 -39.3 9.11 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 N-CA-C 107.713 -1.217 . . . . 0.0 107.713 178.251 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -105.09 168.13 15.5 Favored Glycine 0 CA--C 1.532 1.152 0 O-C-N 124.897 1.373 . . . . 0.0 111.065 179.919 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 25' ' ' PRO . . . . . 0.699 ' CD ' ' CHA' ' A' ' 83' ' ' HEM . 41.6 Cg_endo -67.84 156.07 67.39 Favored 'Trans proline' 0 N--CA 1.448 -1.159 0 C-N-CA 122.151 1.901 . . . . 0.0 112.081 -179.246 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -82.15 127.86 33.57 Favored 'General case' 0 C--N 1.324 -0.51 0 N-CA-C 106.59 -1.633 . . . . 0.0 106.59 176.867 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 27' ' ' TYR . . . . . 0.613 ' CE2' ' CZ3' ' A' ' 77' ' ' TRP . 8.6 m-85 -56.38 -32.16 64.5 Favored 'General case' 0 C--N 1.323 -0.565 0 O-C-N 124.911 1.382 . . . . 0.0 111.059 -178.373 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -69.34 -39.67 78.0 Favored 'General case' 0 CA--C 1.535 0.386 0 O-C-N 124.576 1.172 . . . . 0.0 109.521 179.773 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 29' ' ' ASP . . . . . 0.465 ' HB3' ' CH2' ' A' ' 56' ' ' TRP . 5.6 m-20 -64.23 -34.42 78.06 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.638 1.211 . . . . 0.0 109.214 179.74 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 30' ' ' VAL . . . . . 0.573 HG11 HG13 ' A' ' 78' ' ' VAL . 53.2 t -70.0 -35.09 62.63 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.363 0 CA-C-N 114.287 -1.324 . . . . 0.0 107.658 178.866 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -94.04 20.9 7.31 Favored 'General case' 0 CA--C 1.537 0.443 0 O-C-N 124.545 1.153 . . . . 0.0 108.893 177.767 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -120.44 -1.11 10.21 Favored 'General case' 0 CA--C 1.548 0.894 0 CA-C-N 114.59 -1.186 . . . . 0.0 108.665 176.863 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 33' ' ' LYS . . . . . 0.563 ' HB3' ' CD1' ' A' ' 34' ' ' PHE . 0.0 OUTLIER -122.45 -61.34 1.47 Allowed 'General case' 0 C--N 1.323 -0.55 0 O-C-N 124.824 1.327 . . . . 0.0 109.444 178.848 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 34' ' ' PHE . . . . . 0.696 ' HB2' HD21 ' A' ' 79' ' ' LEU . 0.0 OUTLIER -105.37 30.41 5.68 Favored 'General case' 0 N--CA 1.444 -0.767 0 N-CA-C 114.424 1.268 . . . . 0.0 114.424 -179.72 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -73.05 -10.05 59.39 Favored 'General case' 0 CA--C 1.569 1.679 0 O-C-N 125.262 1.601 . . . . 0.0 107.525 173.401 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 36' ' ' GLY . . . . . 0.492 ' C ' ' HG3' ' A' ' 37' ' ' GLN . . . -94.06 -39.81 4.75 Favored Glycine 0 CA--C 1.551 2.308 0 N-CA-C 105.511 -3.036 . . . . 0.0 105.511 171.561 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 37' ' ' GLN . . . . . 0.492 ' HG3' ' C ' ' A' ' 36' ' ' GLY . 11.2 mt-30 81.19 -164.67 0.02 OUTLIER 'General case' 0 N--CA 1.444 -0.729 0 N-CA-C 117.04 2.237 . . . . 0.0 117.04 173.761 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 38' ' ' ALA . . . . . 0.447 ' HB3' ' O ' ' A' ' 37' ' ' GLN . . . 78.56 104.13 0.07 Allowed 'General case' 0 CA--C 1.541 0.603 0 N-CA-C 107.04 -1.467 . . . . 0.0 107.04 -177.095 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 162.92 -27.49 0.24 Allowed Glycine 0 CA--C 1.534 1.226 0 O-C-N 124.61 1.194 . . . . 0.0 110.132 -178.897 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -173.3 -91.71 0.01 OUTLIER 'General case' 0 N--CA 1.452 -0.373 0 O-C-N 125.297 1.234 . . . . 0.0 113.401 179.424 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 1.3 tt0 50.92 25.1 2.05 Favored 'General case' 0 CA--C 1.541 0.609 0 CA-C-O 121.708 0.766 . . . . 0.0 109.349 -177.321 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -141.79 -53.82 0.44 Allowed 'General case' 0 CA--C 1.544 0.74 0 N-CA-C 105.278 -2.119 . . . . 0.0 105.278 177.576 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 43' ' ' GLU . . . . . 0.423 ' HA ' ' HB2' ' A' ' 46' ' ' GLN . 1.7 pt-20 -85.33 3.93 37.47 Favored 'General case' 0 CA--C 1.54 0.575 0 O-C-N 125.764 1.915 . . . . 0.0 109.596 174.984 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -88.4 -38.28 15.2 Favored 'General case' 0 CA--C 1.543 0.685 0 N-CA-C 106.018 -1.845 . . . . 0.0 106.018 176.236 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -71.29 -26.29 62.8 Favored 'General case' 0 C--N 1.327 -0.412 0 O-C-N 125.377 1.673 . . . . 0.0 108.247 177.605 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 46' ' ' GLN . . . . . 0.423 ' HB2' ' HA ' ' A' ' 43' ' ' GLU . 1.4 mt-30 -79.99 -18.19 50.93 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 114.502 -1.226 . . . . 0.0 110.485 -179.936 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 47' ' ' ARG . . . . . 0.443 ' HG3' ' HA ' ' A' ' 52' ' ' SER . 0.3 OUTLIER -76.03 -32.98 59.62 Favored 'General case' 0 CA--C 1.542 0.654 0 O-C-N 125.077 1.486 . . . . 0.0 107.683 177.27 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 48' ' ' ILE . . . . . 0.861 HD13 HMB3 ' A' ' 83' ' ' HEM . 2.0 mt -63.21 -29.1 46.39 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.441 0 O-C-N 125.162 1.538 . . . . 0.0 109.115 178.82 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 2.9 ttpm? -114.92 6.44 15.37 Favored 'General case' 0 N--CA 1.45 -0.458 0 O-C-N 124.442 1.089 . . . . 0.0 113.434 -177.745 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 2.0 t-20 -148.41 13.48 0.96 Allowed 'General case' 0 N--CA 1.452 -0.345 0 O-C-N 123.957 0.786 . . . . 0.0 112.404 -179.231 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 70.34 146.32 0.32 Allowed Glycine 0 CA--C 1.531 1.043 0 O-C-N 124.227 0.955 . . . . 0.0 111.064 179.767 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 52' ' ' SER . . . . . 0.474 ' HB3' ' CGD' ' A' ' 83' ' ' HEM . 0.2 OUTLIER -72.51 -19.44 61.53 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.475 0.75 . . . . 0.0 111.295 -179.609 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER 79.47 -8.13 1.63 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.373 1.045 . . . . 0.0 112.198 179.943 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 117.75 96.7 1.86 Allowed Glycine 0 CA--C 1.529 0.962 0 O-C-N 124.14 0.9 . . . . 0.0 111.474 179.75 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 55' ' ' VAL . . . . . 0.587 HG12 ' CD1' ' A' ' 56' ' ' TRP . 11.7 t -122.61 -50.47 2.73 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.395 0.703 . . . . 0.0 109.162 179.683 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 56' ' ' TRP . . . . . 0.587 ' CD1' HG12 ' A' ' 55' ' ' VAL . 1.4 m95 -102.04 -54.59 2.67 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.571 1.17 . . . . 0.0 107.979 179.81 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -122.48 167.33 14.92 Favored Glycine 0 CA--C 1.53 1.028 0 O-C-N 124.565 1.166 . . . . 0.0 110.894 -179.826 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 58' ' ' PRO . . . . . . . . . . . . . 37.1 Cg_endo -85.28 24.04 0.79 Allowed 'Trans proline' 0 C--N 1.358 1.042 0 O-C-N 124.375 1.723 . . . . 0.0 112.454 179.832 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 59' ' ' ILE . . . . . 0.487 ' O ' HMD3 ' A' ' 83' ' ' HEM . 1.3 tt -110.58 87.55 6.67 Favored Pre-proline 0 C--N 1.326 -0.436 0 O-C-N 124.227 0.955 . . . . 0.0 109.202 179.925 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 60' ' ' PRO . . . . . . . . . . . . . 2.7 Cg_endo -49.28 136.68 31.32 Favored 'Trans proline' 0 C--N 1.36 1.172 0 O-C-N 124.526 1.803 . . . . 0.0 110.848 -179.47 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 61' ' ' MET . . . . . 0.433 ' HE3' ' O ' ' A' ' 47' ' ' ARG . 5.8 ttp -74.34 125.73 89.62 Favored Pre-proline 0 C--N 1.325 -0.489 0 O-C-N 124.6 1.187 . . . . 0.0 110.64 179.862 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 62' ' ' PRO . . . . . 0.523 ' HG2' HBC2 ' A' ' 83' ' ' HEM . 24.0 Cg_exo -47.7 121.23 5.43 Favored 'Trans proline' 0 C--N 1.36 1.178 0 O-C-N 124.514 1.797 . . . . 0.0 110.967 -179.214 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 63' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -70.52 159.03 54.21 Favored 'Trans proline' 0 C--N 1.36 1.176 0 O-C-N 124.239 1.652 . . . . 0.0 110.855 179.625 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 7.8 t-20 70.64 110.76 0.06 Allowed 'General case' 0 C--N 1.324 -0.534 0 O-C-N 124.725 1.266 . . . . 0.0 109.418 -179.904 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -146.69 -47.67 0.19 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.449 1.093 . . . . 0.0 109.095 179.849 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 0.1 OUTLIER -149.26 154.0 10.1 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.425 0 O-C-N 124.468 1.105 . . . . 0.0 109.165 179.892 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 22.7 m -71.19 174.27 6.6 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.59 1.181 . . . . 0.0 109.907 -179.964 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 68' ' ' ASP . . . . . 0.421 ' O ' ' CB ' ' A' ' 69' ' ' ASP . 7.0 t70 -61.11 138.29 58.21 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.57 1.169 . . . . 0.0 109.064 179.913 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 69' ' ' ASP . . . . . 0.421 ' CB ' ' O ' ' A' ' 68' ' ' ASP . 9.3 t0 89.38 -39.41 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.602 1.189 . . . . 0.0 108.959 -178.944 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 35.0 mm-40 -74.78 -25.49 59.1 Favored 'General case' 0 C--N 1.323 -0.548 0 O-C-N 124.822 1.326 . . . . 0.0 108.687 177.76 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -89.71 -44.33 10.09 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-N 114.372 -1.286 . . . . 0.0 108.07 178.448 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 5.8 tt0 -51.84 -33.7 37.28 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.786 1.303 . . . . 0.0 110.68 179.657 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 73' ' ' THR . . . . . 0.67 HG22 HD22 ' A' ' 74' ' ' LEU . 0.9 OUTLIER -68.89 -50.97 45.05 Favored 'General case' 0 C--N 1.327 -0.407 0 O-C-N 124.424 1.077 . . . . 0.0 109.893 179.695 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 74' ' ' LEU . . . . . 0.67 HD22 HG22 ' A' ' 73' ' ' THR . 4.2 mm? -70.86 -9.37 57.49 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.726 1.266 . . . . 0.0 110.781 -179.659 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -89.57 -31.21 17.7 Favored 'General case' 0 C--N 1.325 -0.457 0 N-CA-C 108.477 -0.935 . . . . 0.0 108.477 179.062 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 3.6 tttp -72.03 -48.31 45.45 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 125.001 1.438 . . . . 0.0 109.012 -179.786 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 77' ' ' TRP . . . . . 0.613 ' CZ3' ' CE2' ' A' ' 27' ' ' TYR . 72.0 t90 -66.16 -32.01 73.19 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.645 1.215 . . . . 0.0 108.107 -179.801 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 78' ' ' VAL . . . . . 0.738 HG21 HMA2 ' A' ' 83' ' ' HEM . 0.6 OUTLIER -58.85 -48.78 85.2 Favored 'Isoleucine or valine' 0 CA--C 1.547 0.848 0 N-CA-C 105.097 -2.186 . . . . 0.0 105.097 176.411 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 79' ' ' LEU . . . . . 0.696 HD21 ' HB2' ' A' ' 34' ' ' PHE . 0.2 OUTLIER -99.63 34.53 2.21 Favored 'General case' 0 N--CA 1.452 -0.357 0 CA-C-N 112.848 -1.978 . . . . 0.0 113.342 -177.376 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 15.8 t -155.01 20.49 0.44 Allowed 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.306 1.003 . . . . 0.0 110.956 179.485 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 81' ' ' GLN . . . . . . . . . . . . . 1.5 pt20 42.34 -98.68 0.03 OUTLIER 'General case' 0 C--N 1.323 -0.544 0 O-C-N 124.705 1.253 . . . . 0.0 112.005 179.557 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.325 -0.499 0 O-C-N 124.345 1.028 . . . . 0.0 109.152 179.696 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 83' ' ' HEM . . . . . 0.861 HMB3 HD13 ' A' ' 48' ' ' ILE . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 1' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 N--CA 1.453 -0.291 0 N-CA-C 110.167 -0.308 . . . . 0.0 110.167 . . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -172.55 89.59 0.41 Allowed Pre-proline 0 C--N 1.325 -0.461 0 O-C-N 124.377 1.048 . . . . 0.0 109.297 -179.975 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 3' ' ' PRO . . . . . 0.543 ' HB2' ' CG ' ' A' ' 77' ' ' TRP . 5.3 Cg_endo -73.39 -13.58 25.31 Favored 'Trans proline' 0 C--N 1.359 1.112 0 O-C-N 124.501 1.79 . . . . 0.0 111.601 -179.837 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 51.5 mt-10 -83.04 -28.03 29.89 Favored 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.796 1.31 . . . . 0.0 108.497 178.252 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 55.8 t -78.06 -31.76 16.86 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.398 0 CA-C-N 114.172 -1.376 . . . . 0.0 108.125 178.47 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 6' ' ' LEU . . . . . 0.579 ' HB3' HD11 ' A' ' 74' ' ' LEU . 0.3 OUTLIER -74.76 -39.29 61.89 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.859 1.349 . . . . 0.0 107.691 178.398 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 7' ' ' PHE . . . . . 0.874 ' CE2' HG23 ' A' ' 13' ' ' VAL . 14.6 t80 -60.52 -17.36 45.07 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 114.242 -1.345 . . . . 0.0 111.975 179.756 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 11.2 tptt -115.98 -13.24 11.27 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.16 0.912 . . . . 0.0 111.092 -178.999 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 9' ' ' ASN . . . . . 0.409 ' HB3' ' HA ' ' A' ' 6' ' ' LEU . 0.1 OUTLIER -62.37 -31.7 72.39 Favored 'General case' 0 N--CA 1.449 -0.5 0 N-CA-C 114.02 1.119 . . . . 0.0 114.02 -178.309 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -111.18 -88.39 0.52 Allowed 'General case' 0 C--N 1.326 -0.449 0 O-C-N 123.869 0.731 . . . . 0.0 112.012 -178.361 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 11' ' ' GLY . . . . . 0.507 ' O ' HMC1 ' A' ' 83' ' ' HEM . . . -163.54 20.93 0.16 Allowed Glycine 0 CA--C 1.527 0.837 0 O-C-N 124.594 1.184 . . . . 0.0 113.969 -178.855 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 12' ' ' CYS . . . . . 0.607 ' HB2' ' CD1' ' A' ' 7' ' ' PHE . 15.5 m -59.68 -52.92 63.45 Favored 'General case' 0 N--CA 1.448 -0.561 0 N-CA-C 108.285 -1.005 . . . . 0.0 108.285 179.443 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 13' ' ' VAL . . . . . 0.874 HG23 ' CE2' ' A' ' 7' ' ' PHE . 0.3 OUTLIER -52.32 -11.17 0.25 Allowed 'Isoleucine or valine' 0 CA--C 1.539 0.548 0 N-CA-C 114.695 1.369 . . . . 0.0 114.695 -176.796 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -49.99 -45.48 51.74 Favored 'General case' 0 C--N 1.323 -0.548 0 O-C-N 126.12 2.137 . . . . 0.0 108.387 178.998 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -145.64 12.79 1.33 Allowed 'General case' 0 N--CA 1.45 -0.463 0 O-C-N 124.857 1.348 . . . . 0.0 112.675 -179.281 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 16' ' ' HIS . . . . . 0.599 ' CE1' ' HD2' ' A' ' 25' ' ' PRO . 6.1 m-70 -101.81 64.41 0.97 Allowed 'General case' 0 N--CA 1.451 -0.412 0 N-CA-C 115.849 1.796 . . . . 0.0 115.849 -177.98 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 17' ' ' ALA . . . . . 0.435 ' HB3' ' O ' ' A' ' 20' ' ' THR . . . -55.42 167.02 0.53 Allowed 'General case' 0 CA--C 1.54 0.581 0 N-CA-C 107.785 -1.191 . . . . 0.0 107.785 177.034 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 18' ' ' ILE . . . . . 0.786 HD13 ' CB ' ' A' ' 27' ' ' TYR 0.287 0.1 OUTLIER -129.3 55.94 0.34 Allowed 'Isoleucine or valine' 0 CA--C 1.55 0.969 0 N-CA-C 105.471 -2.048 . . . . 0.0 105.471 177.221 . . . . . . . . 4 4 . 1 . 004 nuclear build full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER 165.43 -23.79 0.0 OUTLIER 'General case' 0 N--CA 1.453 -0.323 0 CA-C-N 112.41 -2.177 . . . . 0.0 110.707 179.248 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 20' ' ' THR . . . . . 0.435 ' O ' ' HB3' ' A' ' 17' ' ' ALA . 0.3 OUTLIER -126.16 174.04 8.79 Favored 'General case' 0 C--N 1.323 -0.57 0 O-C-N 124.221 0.951 . . . . 0.0 110.207 179.744 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 1.6 pttp -128.97 138.28 51.87 Favored 'General case' 0 C--N 1.327 -0.403 0 O-C-N 124.377 1.048 . . . . 0.0 111.098 -179.431 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 22' ' ' MET . . . . . . . . . . . . . 2.2 tpp -134.67 -69.54 0.52 Allowed 'General case' 0 C--N 1.325 -0.474 0 CA-C-N 114.759 -1.109 . . . . 0.0 109.365 178.829 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 23' ' ' VAL . . . . . 0.614 HG12 HMD1 ' A' ' 83' ' ' HEM . 2.7 t -122.26 -49.0 2.65 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.519 0 N-CA-C 107.353 -1.351 . . . . 0.0 107.353 177.826 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -91.18 161.92 28.1 Favored Glycine 0 CA--C 1.534 1.26 0 O-C-N 124.845 1.34 . . . . 0.0 110.202 178.846 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 25' ' ' PRO . . . . . 0.648 ' CD ' ' CHA' ' A' ' 83' ' ' HEM . 46.8 Cg_endo -67.66 134.11 31.76 Favored 'Trans proline' 0 C--N 1.359 1.103 0 O-C-N 124.417 1.746 . . . . 0.0 114.097 -178.885 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 26' ' ' ALA . . . . . 0.485 ' HB3' ' OD2' ' A' ' 29' ' ' ASP . . . -57.73 123.3 15.22 Favored 'General case' 0 C--N 1.324 -0.507 0 N-CA-C 105.732 -1.951 . . . . 0.0 105.732 175.735 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 27' ' ' TYR . . . . . 0.869 ' CE2' HG13 ' A' ' 78' ' ' VAL . 5.2 m-85 -57.37 -16.53 9.29 Favored 'General case' 0 C--N 1.323 -0.576 0 O-C-N 124.873 1.358 . . . . 0.0 111.566 -178.019 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -82.08 -39.7 23.04 Favored 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.624 1.202 . . . . 0.0 111.588 -179.059 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 29' ' ' ASP . . . . . 0.485 ' OD2' ' HB3' ' A' ' 26' ' ' ALA . 5.1 p30 -72.62 -25.9 61.48 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.797 1.31 . . . . 0.0 109.209 -179.869 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 1.5 t -73.3 -36.31 48.93 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 N-CA-C 107.255 -1.387 . . . . 0.0 107.255 178.072 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 31' ' ' ALA . . . . . 0.603 ' HA ' ' HB2' ' A' ' 35' ' ' ALA . . . -88.84 15.84 7.78 Favored 'General case' 0 C--N 1.328 -0.346 0 O-C-N 124.997 1.436 . . . . 0.0 109.983 179.371 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -144.96 18.08 1.6 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.175 0.922 . . . . 0.0 111.252 179.765 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -167.12 44.62 0.05 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.332 1.02 . . . . 0.0 108.561 179.314 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 34' ' ' PHE . . . . . 0.4 ' CE2' HD22 ' A' ' 79' ' ' LEU . 10.0 t80 170.25 -31.23 0.0 OUTLIER 'General case' 0 CA--C 1.54 0.593 0 O-C-N 124.575 1.172 . . . . 0.0 110.18 179.82 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 35' ' ' ALA . . . . . 0.603 ' HB2' ' HA ' ' A' ' 31' ' ' ALA . . . -48.67 138.03 11.31 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 125.525 1.766 . . . . 0.0 108.396 178.753 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 103.05 -7.43 52.47 Favored Glycine 0 CA--C 1.531 1.073 0 O-C-N 124.571 1.169 . . . . 0.0 111.101 -177.921 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -92.05 60.53 3.82 Favored 'General case' 0 C--N 1.326 -0.417 0 N-CA-C 109.274 -0.639 . . . . 0.0 109.274 179.127 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -55.68 169.38 0.34 Allowed 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 114.695 -1.139 . . . . 0.0 110.84 -178.954 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 67.49 26.07 73.7 Favored Glycine 0 CA--C 1.529 0.925 0 CA-C-N 114.86 -1.063 . . . . 0.0 112.475 179.429 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -124.42 -11.65 7.36 Favored 'General case' 0 N--CA 1.45 -0.459 0 O-C-N 124.26 0.624 . . . . 0.0 111.882 -179.492 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 23.8 pt-20 -63.95 -9.88 18.13 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.068 0.855 . . . . 0.0 112.358 -179.277 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -77.86 -54.15 6.66 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.51 1.131 . . . . 0.0 108.697 179.766 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -80.74 2.4 26.27 Favored 'General case' 0 CA--C 1.537 0.475 0 O-C-N 124.774 1.297 . . . . 0.0 110.798 178.501 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 44' ' ' LEU . . . . . 0.688 ' O ' HG23 ' A' ' 48' ' ' ILE . 13.9 tp -90.16 -37.56 14.1 Favored 'General case' 0 C--N 1.324 -0.51 0 N-CA-C 106.989 -1.485 . . . . 0.0 106.989 176.831 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -67.6 -22.37 65.37 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.988 1.43 . . . . 0.0 109.175 178.708 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 46' ' ' GLN . . . . . . . . . . . . . 74.9 mt-30 -83.92 -24.35 30.79 Favored 'General case' 0 CA--C 1.537 0.463 0 O-C-N 124.744 1.278 . . . . 0.0 109.893 -179.477 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -79.73 -39.72 30.47 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.989 1.43 . . . . 0.0 109.651 178.702 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 48' ' ' ILE . . . . . 0.937 HD12 HMB3 ' A' ' 83' ' ' HEM . 0.3 OUTLIER -83.29 -0.24 5.05 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 125.003 1.439 . . . . 0.0 110.104 179.107 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 49' ' ' LYS . . . . . 0.668 ' CG ' HG23 ' A' ' 66' ' ' VAL . 0.9 OUTLIER -124.41 -5.18 7.73 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.051 0.845 . . . . 0.0 111.451 179.908 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 3.8 t-20 -144.64 4.04 1.14 Allowed 'General case' 0 N--CA 1.449 -0.504 0 O-C-N 124.5 1.125 . . . . 0.0 113.015 -179.677 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 83.01 162.54 32.59 Favored Glycine 0 CA--C 1.53 0.973 0 O-C-N 123.973 0.796 . . . . 0.0 111.969 179.32 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 6.4 p -109.91 -159.99 0.7 Allowed 'General case' 0 C--N 1.327 -0.409 0 O-C-N 124.446 0.733 . . . . 0.0 109.741 179.747 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -121.35 -12.13 8.66 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.595 1.184 . . . . 0.0 111.697 -179.772 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 114.15 97.09 2.2 Favored Glycine 0 CA--C 1.531 1.059 0 O-C-N 124.309 1.006 . . . . 0.0 110.741 -179.727 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 24.6 t -113.65 -39.23 3.0 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.551 0.795 . . . . 0.0 109.595 -179.775 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 56' ' ' TRP . . . . . . . . . . . . . 6.6 m95 -111.35 28.93 8.27 Favored 'General case' 0 C--N 1.326 -0.42 0 N-CA-C 108.155 -1.054 . . . . 0.0 108.155 179.756 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 147.26 166.15 12.26 Favored Glycine 0 CA--C 1.529 0.968 0 O-C-N 124.54 1.15 . . . . 0.0 110.964 179.863 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 58' ' ' PRO . . . . . . . . . . . . . 2.3 Cg_endo -69.29 -42.97 3.37 Favored 'Trans proline' 0 C--N 1.359 1.111 0 O-C-N 124.665 1.876 . . . . 0.0 110.745 179.442 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 59' ' ' ILE . . . . . . . . . . . . . 6.1 tt -55.68 110.49 2.3 Favored Pre-proline 0 C--N 1.325 -0.465 0 O-C-N 124.592 1.183 . . . . 0.0 109.298 179.884 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 60' ' ' PRO . . . . . . . . . . . . . 19.4 Cg_endo -78.84 168.38 20.98 Favored 'Trans proline' 0 C--N 1.359 1.088 0 O-C-N 124.458 1.768 . . . . 0.0 110.934 -179.596 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 61' ' ' MET . . . . . 0.504 ' HB2' ' C1D' ' A' ' 83' ' ' HEM . 6.8 ttp -86.99 125.24 67.11 Favored Pre-proline 0 C--N 1.326 -0.435 0 O-C-N 124.45 1.094 . . . . 0.0 111.01 179.894 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 62' ' ' PRO . . . . . . . . . . . . . 22.4 Cg_exo -49.54 113.61 1.02 Allowed 'Trans proline' 0 C--N 1.36 1.151 0 O-C-N 124.585 1.834 . . . . 0.0 110.709 179.517 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 63' ' ' PRO . . . . . . . . . . . . . 12.0 Cg_endo -65.28 109.29 1.33 Allowed 'Trans proline' 0 C--N 1.361 1.213 0 O-C-N 124.243 1.654 . . . . 0.0 111.131 -179.611 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 1.1 t-20 -114.55 127.82 56.0 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.573 1.17 . . . . 0.0 108.981 179.66 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -81.2 134.41 35.61 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.616 1.197 . . . . 0.0 110.199 -179.522 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 66' ' ' VAL . . . . . 0.668 HG23 ' CG ' ' A' ' 49' ' ' LYS . 0.1 OUTLIER -142.68 -152.54 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.439 0 O-C-N 124.389 1.056 . . . . 0.0 108.883 179.469 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 1.4 t -115.99 155.34 28.22 Favored 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.708 1.255 . . . . 0.0 109.717 179.74 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 1.6 m-20 -82.32 83.03 7.58 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.54 1.15 . . . . 0.0 109.204 179.996 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER 166.85 -43.84 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 114.703 -1.135 . . . . 0.0 108.557 179.625 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 70' ' ' GLU . . . . . 0.457 ' O ' HD12 ' A' ' 74' ' ' LEU . 10.1 mt-10 -76.81 -26.9 54.91 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.955 1.41 . . . . 0.0 108.484 178.193 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 71' ' ' ALA . . . . . 0.464 ' O ' HD11 ' A' ' 48' ' ' ILE . . . -92.04 -28.61 17.06 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 114.184 -1.371 . . . . 0.0 108.905 179.198 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -66.05 -35.81 81.55 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.589 1.181 . . . . 0.0 110.659 -179.991 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -71.42 -43.75 66.16 Favored 'General case' 0 C--N 1.327 -0.406 0 O-C-N 124.377 1.048 . . . . 0.0 111.371 -179.627 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 74' ' ' LEU . . . . . 0.579 HD11 ' HB3' ' A' ' 6' ' ' LEU . 9.9 mt -71.64 -27.45 63.09 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.409 1.068 . . . . 0.0 110.637 -179.231 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 75' ' ' ALA . . . . . 0.421 ' O ' HD23 ' A' ' 44' ' ' LEU . . . -67.65 -23.84 65.38 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.373 1.046 . . . . 0.0 110.353 -179.401 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -92.98 -18.01 23.23 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.397 1.06 . . . . 0.0 110.03 -179.97 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 77' ' ' TRP . . . . . 0.723 ' CE3' ' CE2' ' A' ' 27' ' ' TYR . 35.5 t90 -74.18 -19.12 60.66 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.391 1.057 . . . . 0.0 109.651 -179.66 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 78' ' ' VAL . . . . . 1.03 HG21 HMA2 ' A' ' 83' ' ' HEM . 0.0 OUTLIER -84.16 -51.15 14.38 Favored 'Isoleucine or valine' 0 CA--C 1.552 1.024 0 N-CA-C 106.513 -1.662 . . . . 0.0 106.513 177.89 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 79' ' ' LEU . . . . . 0.4 HD22 ' CE2' ' A' ' 34' ' ' PHE . 0.1 OUTLIER -40.43 -56.37 2.04 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 125.431 1.707 . . . . 0.0 111.094 -179.669 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 80' ' ' SER . . . . . 0.408 ' C ' ' CG ' ' A' ' 81' ' ' GLN . 57.6 p -174.34 50.03 0.01 OUTLIER 'General case' 0 C--N 1.327 -0.41 0 O-C-N 124.55 1.156 . . . . 0.0 110.353 -179.748 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 81' ' ' GLN . . . . . 0.437 ' HA ' ' HA ' ' A' ' 77' ' ' TRP . 1.8 pt20 46.01 -100.1 0.05 OUTLIER 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.642 1.214 . . . . 0.0 111.247 179.862 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--N 1.325 -0.463 0 O-C-N 124.265 0.978 . . . . 0.0 109.179 179.71 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 83' ' ' HEM . . . . . 1.03 HMA2 HG21 ' A' ' 78' ' ' VAL . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 1' ' ' GLU . . . . . . . . . . . . . 4.4 mt-10 . . . . . 0 N--CA 1.453 -0.28 0 N-CA-C 110.292 -0.262 . . . . 0.0 110.292 . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 2' ' ' ASP . . . . . 0.41 ' HB2' ' HD2' ' A' ' 3' ' ' PRO . 0.5 OUTLIER -54.81 166.41 0.77 Allowed Pre-proline 0 C--N 1.325 -0.475 0 O-C-N 124.488 1.117 . . . . 0.0 109.152 179.958 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 3' ' ' PRO . . . . . 0.486 ' HB3' HG23 ' A' ' 73' ' ' THR . 9.9 Cg_endo -76.26 -10.23 19.16 Favored 'Trans proline' 0 C--N 1.36 1.154 0 O-C-N 124.486 1.782 . . . . 0.0 112.286 -179.454 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 4' ' ' GLU . . . . . 0.474 ' HA ' ' CZ2' ' A' ' 77' ' ' TRP . 19.4 tt0 -76.77 -28.88 55.85 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.565 1.165 . . . . 0.0 109.495 179.9 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 30.3 t -88.03 -33.28 6.46 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 N-CA-C 107.25 -1.389 . . . . 0.0 107.25 177.937 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -66.61 -31.85 72.81 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 113.889 -1.505 . . . . 0.0 108.624 178.888 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 7' ' ' PHE . . . . . 0.852 ' CZ ' HG23 ' A' ' 13' ' ' VAL . 0.4 OUTLIER -72.43 -33.57 67.18 Favored 'General case' 0 CA--C 1.538 0.489 0 O-C-N 124.955 1.409 . . . . 0.0 110.379 179.566 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 13.6 tttt -77.39 -1.9 32.45 Favored 'General case' 0 C--N 1.326 -0.415 0 O-C-N 124.898 1.374 . . . . 0.0 110.943 -179.527 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 60.2 t30 -47.79 -69.47 0.12 Allowed 'General case' 0 C--N 1.323 -0.556 0 O-C-N 124.402 1.064 . . . . 0.0 109.954 -179.863 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 10' ' ' LYS . . . . . 0.413 ' HG2' ' N ' ' A' ' 11' ' ' GLY . 0.0 OUTLIER 179.77 -35.92 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.546 1.154 . . . . 0.0 110.389 179.89 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 11' ' ' GLY . . . . . 0.63 ' O ' HMC1 ' A' ' 83' ' ' HEM . . . -61.97 -67.12 2.24 Favored Glycine 0 CA--C 1.53 0.975 0 O-C-N 124.319 1.012 . . . . 0.0 113.636 -178.558 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 12' ' ' CYS . . . . . 0.565 ' CB ' ' CD2' ' A' ' 7' ' ' PHE . 60.6 m -58.89 -58.5 8.37 Favored 'General case' 0 N--CA 1.449 -0.504 0 O-C-N 124.162 0.566 . . . . 0.0 111.258 -178.279 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 13' ' ' VAL . . . . . 0.852 HG23 ' CZ ' ' A' ' 7' ' ' PHE . 0.4 OUTLIER -63.39 -4.21 1.26 Allowed 'Isoleucine or valine' 0 CA--C 1.536 0.437 0 N-CA-C 114.126 1.158 . . . . 0.0 114.126 -176.605 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -53.21 -31.26 42.23 Favored 'General case' 0 C--N 1.324 -0.537 0 O-C-N 125.817 1.948 . . . . 0.0 107.81 178.748 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 15' ' ' CYS . . . . . 0.441 ' HB2' ' HB ' ' A' ' 23' ' ' VAL . 0.8 OUTLIER -155.57 14.94 0.37 Allowed 'General case' 0 N--CA 1.449 -0.485 0 O-C-N 124.97 1.419 . . . . 0.0 112.494 -179.589 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 16' ' ' HIS . . . . . 0.562 ' CE1' ' HD2' ' A' ' 25' ' ' PRO . 8.6 m-70 -105.14 -173.66 2.35 Favored 'General case' 0 N--CA 1.45 -0.459 0 O-C-N 123.82 0.7 . . . . 0.0 110.955 179.818 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 17' ' ' ALA . . . . . 0.464 ' HB3' ' O ' ' A' ' 20' ' ' THR . . . 179.47 157.63 0.61 Allowed 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 114.318 -1.31 . . . . 0.0 108.982 179.344 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 18' ' ' ILE . . . . . 0.635 HD12 ' O ' ' A' ' 18' ' ' ILE . 0.5 OUTLIER -93.43 -28.71 4.36 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.374 0 O-C-N 124.499 1.124 . . . . 0.0 111.783 -179.117 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 17.4 p30 -134.81 27.1 3.63 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.548 1.155 . . . . 0.0 109.822 -179.779 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 20' ' ' THR . . . . . 0.464 ' O ' ' HB3' ' A' ' 17' ' ' ALA . 0.1 OUTLIER -148.02 158.66 44.18 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.532 1.145 . . . . 0.0 109.693 179.404 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -127.66 131.75 49.78 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.511 1.132 . . . . 0.0 109.949 -179.408 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 22' ' ' MET . . . . . . . . . . . . . 3.7 mtt -130.12 -91.47 0.45 Allowed 'General case' 0 C--N 1.324 -0.509 0 CA-C-N 114.979 -1.009 . . . . 0.0 110.043 179.422 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 23' ' ' VAL . . . . . 0.497 ' O ' HMD3 ' A' ' 83' ' ' HEM . 2.1 t -98.43 -38.15 7.04 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.522 0 N-CA-C 107.637 -1.245 . . . . 0.0 107.637 178.307 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -106.7 174.32 20.05 Favored Glycine 0 CA--C 1.532 1.143 0 CA-C-N 114.22 -1.354 . . . . 0.0 110.927 179.865 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 25' ' ' PRO . . . . . 0.712 ' CD ' ' CHA' ' A' ' 83' ' ' HEM . 60.8 Cg_endo -72.08 159.77 49.16 Favored 'Trans proline' 0 C--N 1.359 1.116 0 C-N-CA 121.972 1.781 . . . . 0.0 113.333 -179.102 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 26' ' ' ALA . . . . . 0.505 ' O ' HG23 ' A' ' 30' ' ' VAL . . . -89.39 142.18 27.89 Favored 'General case' 0 CA--C 1.54 0.579 0 N-CA-C 106.281 -1.748 . . . . 0.0 106.281 176.433 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 27' ' ' TYR . . . . . 0.618 ' CE2' ' CE3' ' A' ' 77' ' ' TRP . 11.0 m-85 -68.32 -26.68 65.74 Favored 'General case' 0 C--N 1.322 -0.614 0 O-C-N 125.151 1.532 . . . . 0.0 110.841 -178.46 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 3.5 tptm -75.31 -26.56 58.76 Favored 'General case' 0 C--N 1.328 -0.343 0 O-C-N 124.945 1.403 . . . . 0.0 108.614 179.408 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 29' ' ' ASP . . . . . 0.478 ' HB3' ' CH2' ' A' ' 56' ' ' TRP . 2.5 m-20 -85.27 -25.55 27.17 Favored 'General case' 0 C--N 1.323 -0.551 0 O-C-N 124.767 1.292 . . . . 0.0 107.691 177.556 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 30' ' ' VAL . . . . . 0.505 HG23 ' O ' ' A' ' 26' ' ' ALA . 8.3 t -70.37 -31.98 48.73 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.383 0 CA-C-N 114.268 -1.333 . . . . 0.0 107.552 178.012 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -79.34 -24.2 42.91 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 125.275 1.609 . . . . 0.0 109.202 179.384 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -88.14 5.39 41.56 Favored 'General case' 0 CA--C 1.536 0.44 0 O-C-N 124.955 1.41 . . . . 0.0 109.526 178.87 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 2.0 tppp? -120.87 -21.14 6.68 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.744 1.277 . . . . 0.0 110.849 179.369 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 34' ' ' PHE . . . . . 0.519 ' CZ ' HD12 ' A' ' 79' ' ' LEU . 0.1 OUTLIER -88.76 -68.26 0.78 Allowed 'General case' 0 C--N 1.323 -0.582 0 O-C-N 124.188 0.93 . . . . 0.0 109.041 179.314 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . 42.23 52.25 4.52 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.38 1.05 . . . . 0.0 111.292 177.913 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 136.88 -47.64 0.95 Allowed Glycine 0 CA--C 1.536 1.359 0 N-CA-C 109.123 -1.591 . . . . 0.0 109.123 -178.741 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 37' ' ' GLN . . . . . 0.503 ' HG3' ' HB3' ' A' ' 34' ' ' PHE . 0.0 OUTLIER 64.87 -131.08 0.3 Allowed 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 114.142 -1.029 . . . . 0.0 110.561 177.823 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 38' ' ' ALA . . . . . 0.466 ' HB3' ' O ' ' A' ' 37' ' ' GLN . . . 76.57 39.56 0.25 Allowed 'General case' 0 CA--C 1.54 0.582 0 N-CA-C 107.361 -1.348 . . . . 0.0 107.361 -177.795 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 39' ' ' GLY . . . . . 0.42 ' O ' ' HB3' ' A' ' 40' ' ' ALA . . . -112.7 31.47 6.81 Favored Glycine 0 CA--C 1.531 1.084 0 CA-C-N 114.095 -1.412 . . . . 0.0 110.757 -179.813 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 40' ' ' ALA . . . . . 0.42 ' HB3' ' O ' ' A' ' 39' ' ' GLY . . . 69.67 83.56 0.15 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.665 0.862 . . . . 0.0 111.893 179.395 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 41' ' ' GLU . . . . . 0.455 ' HA ' ' HB3' ' A' ' 44' ' ' LEU . 1.4 pt-20 -61.19 -13.95 21.78 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.851 1.345 . . . . 0.0 110.145 177.755 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -75.43 -50.76 14.85 Favored 'General case' 0 C--N 1.323 -0.552 0 O-C-N 124.725 1.266 . . . . 0.0 107.764 178.968 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 8.1 mt-10 -82.76 0.75 42.2 Favored 'General case' 0 CA--C 1.54 0.58 0 O-C-N 125.203 1.564 . . . . 0.0 110.412 177.593 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 44' ' ' LEU . . . . . 0.551 ' O ' HG23 ' A' ' 48' ' ' ILE . 0.4 OUTLIER -84.71 -37.7 20.62 Favored 'General case' 0 CA--C 1.54 0.57 0 N-CA-C 106.0 -1.852 . . . . 0.0 106.0 176.297 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 45' ' ' ALA . . . . . 0.46 ' HA ' HG12 ' A' ' 48' ' ' ILE . . . -72.08 -21.25 61.53 Favored 'General case' 0 N--CA 1.451 -0.409 0 CA-C-N 113.776 -1.557 . . . . 0.0 108.986 177.746 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 46' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER -82.58 -19.23 38.88 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.624 1.202 . . . . 0.0 110.9 -178.698 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 5.6 mtm180 -84.95 -37.72 20.17 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 125.096 1.497 . . . . 0.0 108.619 178.12 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 48' ' ' ILE . . . . . 0.803 HD12 HBB2 ' A' ' 83' ' ' HEM . 0.6 OUTLIER -77.47 -6.11 8.61 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 O-C-N 125.189 1.556 . . . . 0.0 111.239 179.672 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 49' ' ' LYS . . . . . 0.614 ' HD3' ' HB2' ' A' ' 71' ' ' ALA . 0.0 OUTLIER -126.99 -4.87 6.26 Favored 'General case' 0 N--CA 1.451 -0.411 0 O-C-N 123.993 0.808 . . . . 0.0 112.118 -179.797 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 1.8 t-20 -137.16 3.78 2.65 Favored 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.647 1.217 . . . . 0.0 111.584 179.347 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 76.77 152.89 4.89 Favored Glycine 0 CA--C 1.53 0.969 0 O-C-N 124.106 0.879 . . . . 0.0 112.585 178.983 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 4.4 m -103.19 -151.63 0.43 Allowed 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 114.716 -0.742 . . . . 0.0 109.502 179.377 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 1.8 tm0? -175.47 100.35 0.08 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.452 1.095 . . . . 0.0 110.33 179.888 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 78.43 84.27 0.56 Allowed Glycine 0 CA--C 1.531 1.035 0 O-C-N 124.51 1.131 . . . . 0.0 110.926 -179.982 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 55' ' ' VAL . . . . . 0.657 HG11 ' CGA' ' A' ' 83' ' ' HEM . 11.7 t -133.5 -65.32 0.5 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.59 0.818 . . . . 0.0 109.254 -179.983 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 56' ' ' TRP . . . . . 0.563 ' CD1' HG12 ' A' ' 55' ' ' VAL . 3.0 m95 -115.47 32.97 5.72 Favored 'General case' 0 C--N 1.326 -0.425 0 N-CA-C 107.746 -1.205 . . . . 0.0 107.746 179.282 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 107.47 -153.31 16.85 Favored Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.687 1.242 . . . . 0.0 111.234 179.751 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 58' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.75 -172.02 1.21 Allowed 'Trans proline' 0 C--N 1.36 1.181 0 O-C-N 124.467 1.772 . . . . 0.0 111.023 -179.536 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 59' ' ' ILE . . . . . . . . . . . . . 3.1 mp 54.74 79.49 0.34 Allowed Pre-proline 0 C--N 1.324 -0.519 0 O-C-N 124.485 1.116 . . . . 0.0 109.056 -179.944 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 60' ' ' PRO . . . . . . . . . . . . . 23.5 Cg_endo -78.08 173.89 13.29 Favored 'Trans proline' 0 C--N 1.36 1.169 0 O-C-N 124.446 1.761 . . . . 0.0 111.25 -179.529 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 61' ' ' MET . . . . . 0.514 ' HB2' ' C4D' ' A' ' 83' ' ' HEM . 6.8 ttp -76.29 132.13 73.76 Favored Pre-proline 0 C--N 1.325 -0.461 0 O-C-N 124.428 1.08 . . . . 0.0 110.873 179.92 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 62' ' ' PRO . . . . . 0.419 ' HD2' ' HG3' ' A' ' 61' ' ' MET . 6.9 Cg_endo -57.17 135.4 70.28 Favored 'Trans proline' 0 C--N 1.361 1.225 0 O-C-N 124.566 1.824 . . . . 0.0 110.673 179.541 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 63' ' ' PRO . . . . . . . . . . . . . 22.4 Cg_endo -73.95 100.05 1.24 Allowed 'Trans proline' 0 C--N 1.36 1.148 0 O-C-N 124.455 1.766 . . . . 0.0 110.864 -179.748 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 64' ' ' ASN . . . . . 0.428 ' HB3' ' HG3' ' A' ' 49' ' ' LYS . 0.9 OUTLIER -65.97 -169.21 0.06 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.507 1.129 . . . . 0.0 109.291 179.972 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -155.21 104.06 2.41 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.601 1.188 . . . . 0.0 109.49 179.96 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 66' ' ' VAL . . . . . 0.525 HG12 ' N ' ' A' ' 67' ' ' SER . 68.9 t -141.79 -96.58 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.492 1.12 . . . . 0.0 109.213 179.92 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 67' ' ' SER . . . . . 0.525 ' N ' HG12 ' A' ' 66' ' ' VAL . 0.4 OUTLIER -172.29 -91.14 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.455 1.097 . . . . 0.0 109.922 179.974 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 15.4 t0 -178.79 55.79 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.566 1.166 . . . . 0.0 109.578 179.921 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 24.8 t70 -146.27 -64.53 0.3 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.554 1.159 . . . . 0.0 108.982 179.502 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 47.4 tt0 -60.57 -22.39 63.64 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.665 1.228 . . . . 0.0 109.424 178.892 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 71' ' ' ALA . . . . . 0.614 ' HB2' ' HD3' ' A' ' 49' ' ' LYS . . . -88.68 -34.03 17.36 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.598 1.186 . . . . 0.0 109.112 179.51 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 14.5 mt-30 -58.04 -32.4 67.95 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.545 1.153 . . . . 0.0 110.633 -179.851 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 73' ' ' THR . . . . . 0.486 HG23 ' HB3' ' A' ' 3' ' ' PRO . 0.4 OUTLIER -80.49 -40.16 26.64 Favored 'General case' 0 C--N 1.326 -0.422 0 O-C-N 124.409 1.068 . . . . 0.0 111.146 -179.607 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 74' ' ' LEU . . . . . 0.56 HD13 HBB1 ' A' ' 83' ' ' HEM . 14.4 mt -76.83 -11.63 59.85 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.397 1.061 . . . . 0.0 111.057 -179.39 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -89.9 -22.45 22.01 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.262 0.976 . . . . 0.0 109.89 179.989 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -83.75 -18.63 37.17 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.536 1.147 . . . . 0.0 110.062 -179.543 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 77' ' ' TRP . . . . . 0.618 ' CE3' ' CE2' ' A' ' 27' ' ' TYR . 28.8 t90 -84.82 -35.88 22.01 Favored 'General case' 0 C--N 1.323 -0.566 0 N-CA-C 107.309 -1.367 . . . . 0.0 107.309 179.742 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 78' ' ' VAL . . . . . 0.95 HG21 HMA2 ' A' ' 83' ' ' HEM . 1.2 t -69.05 -51.71 41.18 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.553 0 N-CA-C 107.242 -1.392 . . . . 0.0 107.242 177.854 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 79' ' ' LEU . . . . . 0.538 ' N ' HG12 ' A' ' 78' ' ' VAL . 0.4 OUTLIER -59.12 -63.52 1.27 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 113.972 -1.467 . . . . 0.0 109.678 -179.139 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -120.61 93.05 3.91 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.294 0.996 . . . . 0.0 110.272 -179.989 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 81' ' ' GLN . . . . . . . . . . . . . 5.8 tt0 -59.67 -75.71 0.05 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.537 1.148 . . . . 0.0 110.65 179.942 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 9.3 pttt . . . . . 0 C--N 1.325 -0.47 0 O-C-N 124.48 1.112 . . . . 0.0 109.321 -179.883 . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 83' ' ' HEM . . . . . 0.95 HMA2 HG21 ' A' ' 78' ' ' VAL . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 1' ' ' GLU . . . . . . . . . . . . . 39.1 mm-40 . . . . . 0 N--CA 1.453 -0.322 0 N-CA-C 110.777 -0.083 . . . . 0.0 110.777 . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 2' ' ' ASP . . . . . 0.532 ' N ' ' CD ' ' A' ' 3' ' ' PRO . 0.0 OUTLIER 166.74 -46.66 0.0 OUTLIER Pre-proline 0 C--N 1.326 -0.443 0 O-C-N 124.546 1.154 . . . . 0.0 110.724 -179.99 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 3' ' ' PRO . . . . . 0.532 ' CD ' ' N ' ' A' ' 2' ' ' ASP . 1.6 Cg_endo -70.28 -14.07 34.06 Favored 'Trans proline' 0 C--N 1.359 1.09 0 O-C-N 124.186 1.624 . . . . 0.0 111.937 -179.464 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 4' ' ' GLU . . . . . 0.514 ' HG3' ' CZ2' ' A' ' 77' ' ' TRP . 4.4 mt-10 -78.61 -30.26 46.45 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.721 1.263 . . . . 0.0 108.284 178.563 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 3.8 t -82.1 -26.64 9.24 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.402 0 CA-C-N 113.98 -1.464 . . . . 0.0 108.864 179.11 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 6' ' ' LEU . . . . . 0.634 ' HB3' HD21 ' A' ' 74' ' ' LEU . 1.7 mt -83.22 -28.73 29.04 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.548 1.155 . . . . 0.0 108.662 179.373 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 7' ' ' PHE . . . . . 0.805 ' CZ ' HG23 ' A' ' 13' ' ' VAL . 15.8 t80 -68.91 -23.39 64.17 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.724 1.265 . . . . 0.0 110.922 179.908 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -103.67 -5.1 22.93 Favored 'General case' 0 C--N 1.326 -0.42 0 O-C-N 124.544 1.153 . . . . 0.0 110.807 179.878 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -87.54 -66.0 0.96 Allowed 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.127 0.892 . . . . 0.0 110.506 -179.523 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -51.82 -53.21 42.72 Favored 'General case' 0 C--N 1.326 -0.423 0 O-C-N 124.259 0.974 . . . . 0.0 110.335 -179.29 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 11' ' ' GLY . . . . . 0.544 ' O ' HMC3 ' A' ' 83' ' ' HEM . . . 131.93 27.75 0.64 Allowed Glycine 0 CA--C 1.529 0.909 0 O-C-N 124.416 1.073 . . . . 0.0 113.96 179.304 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 12' ' ' CYS . . . . . 0.623 ' HB2' ' CD1' ' A' ' 7' ' ' PHE . 1.2 m -66.73 -42.1 86.83 Favored 'General case' 0 CA--C 1.544 0.72 0 N-CA-C 108.05 -1.093 . . . . 0.0 108.05 179.515 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 13' ' ' VAL . . . . . 0.805 HG23 ' CZ ' ' A' ' 7' ' ' PHE . 0.3 OUTLIER -65.71 -6.78 4.03 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.547 0 O-C-N 125.377 1.673 . . . . 0.0 113.134 -177.29 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -54.13 -25.6 23.06 Favored 'General case' 0 CA--C 1.539 0.527 0 O-C-N 125.774 1.921 . . . . 0.0 107.84 178.447 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 15' ' ' CYS . . . . . 0.438 ' HB2' ' HB ' ' A' ' 23' ' ' VAL . 0.5 OUTLIER -155.26 16.53 0.41 Allowed 'General case' 0 N--CA 1.45 -0.441 0 O-C-N 124.743 1.277 . . . . 0.0 111.647 -179.149 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 16' ' ' HIS . . . . . 0.547 ' CE1' ' HD2' ' A' ' 25' ' ' PRO . 6.4 m-70 -115.3 164.08 14.76 Favored 'General case' 0 CA--C 1.539 0.533 0 O-C-N 123.738 0.649 . . . . 0.0 110.572 179.502 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 17' ' ' ALA . . . . . 0.426 ' HB3' ' O ' ' A' ' 20' ' ' THR . . . -153.13 155.68 37.21 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 114.182 -1.372 . . . . 0.0 108.309 178.02 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 18' ' ' ILE . . . . . 0.64 HD12 ' O ' ' A' ' 18' ' ' ILE . 0.5 OUTLIER -90.73 -26.58 5.16 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 O-C-N 124.675 1.234 . . . . 0.0 111.267 -179.341 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 3.4 p30 -133.17 22.29 4.1 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.501 1.126 . . . . 0.0 110.523 -179.755 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 20' ' ' THR . . . . . 0.426 ' O ' ' HB3' ' A' ' 17' ' ' ALA . 0.2 OUTLIER -145.14 160.13 41.91 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.44 1.087 . . . . 0.0 109.822 179.367 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 21' ' ' LYS . . . . . 0.438 ' HE2' ' HG2' ' A' ' 58' ' ' PRO . 0.0 OUTLIER -121.79 123.94 42.99 Favored 'General case' 0 C--N 1.326 -0.425 0 O-C-N 124.593 1.183 . . . . 0.0 109.955 -179.369 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 22' ' ' MET . . . . . . . . . . . . . 21.0 mtp -124.21 -96.76 0.45 Allowed 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.444 1.09 . . . . 0.0 110.037 179.089 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 23' ' ' VAL . . . . . 0.438 ' HB ' ' HB2' ' A' ' 15' ' ' CYS . 2.2 t -94.27 -39.25 10.23 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 N-CA-C 107.462 -1.31 . . . . 0.0 107.462 178.064 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -103.92 172.46 20.82 Favored Glycine 0 CA--C 1.532 1.096 0 CA-C-N 114.166 -1.379 . . . . 0.0 110.763 179.685 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 25' ' ' PRO . . . . . 0.663 ' CD ' ' CHA' ' A' ' 83' ' ' HEM . 72.2 Cg_endo -74.45 153.1 44.46 Favored 'Trans proline' 0 C--N 1.359 1.094 0 O-C-N 124.392 1.733 . . . . 0.0 111.508 -179.234 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -75.71 139.05 41.7 Favored 'General case' 0 C--N 1.325 -0.493 0 N-CA-C 106.919 -1.511 . . . . 0.0 106.919 176.865 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 27' ' ' TYR . . . . . 0.72 ' CE2' HG23 ' A' ' 78' ' ' VAL . 15.1 m-85 -67.93 -26.16 65.83 Favored 'General case' 0 C--N 1.324 -0.542 0 O-C-N 124.959 1.412 . . . . 0.0 110.851 -178.812 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 17.3 ttmt -74.49 -24.19 58.98 Favored 'General case' 0 C--N 1.326 -0.414 0 O-C-N 124.996 1.435 . . . . 0.0 109.959 -179.63 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 29' ' ' ASP . . . . . 0.517 ' HB3' ' CH2' ' A' ' 56' ' ' TRP . 29.0 m-20 -81.99 -43.8 17.54 Favored 'General case' 0 C--N 1.325 -0.471 0 N-CA-C 107.633 -1.247 . . . . 0.0 107.633 178.5 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 30' ' ' VAL . . . . . 0.684 HG11 HG13 ' A' ' 78' ' ' VAL . 71.0 t -63.45 -28.16 44.47 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.474 0 CA-C-N 114.126 -1.397 . . . . 0.0 107.359 177.511 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 31' ' ' ALA . . . . . 0.469 ' O ' ' HB3' ' A' ' 35' ' ' ALA . . . -73.35 -34.41 65.61 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 114.163 -1.38 . . . . 0.0 108.819 179.412 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -64.15 -9.86 19.36 Favored 'General case' 0 CA--C 1.544 0.72 0 O-C-N 124.741 1.276 . . . . 0.0 109.852 179.924 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 33' ' ' LYS . . . . . 0.5 ' O ' ' CB ' ' A' ' 34' ' ' PHE . 1.2 mtmm -147.6 87.14 1.62 Allowed 'General case' 0 N--CA 1.447 -0.584 0 O-C-N 125.316 1.635 . . . . 0.0 111.261 178.744 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 34' ' ' PHE . . . . . 0.5 ' CB ' ' O ' ' A' ' 33' ' ' LYS . 10.3 m-30 130.3 -11.51 0.0 OUTLIER 'General case' 0 CA--C 1.546 0.795 0 C-N-CA 125.823 1.649 . . . . 0.0 112.363 177.978 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 35' ' ' ALA . . . . . 0.469 ' HB3' ' O ' ' A' ' 31' ' ' ALA . . . -93.05 31.33 1.45 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.691 1.245 . . . . 0.0 110.084 -179.859 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . -163.35 31.25 0.27 Allowed Glycine 0 CA--C 1.538 1.489 0 N-CA-C 109.506 -1.438 . . . . 0.0 109.506 179.243 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 37' ' ' GLN . . . . . 0.487 ' O ' ' HB3' ' A' ' 38' ' ' ALA . 2.5 tp60 176.62 -55.82 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 113.776 -1.212 . . . . 0.0 110.617 -178.761 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 38' ' ' ALA . . . . . 0.527 ' HA ' HD11 ' A' ' 79' ' ' LEU . . . 95.27 -95.72 0.0 OUTLIER 'General case' 0 CA--C 1.544 0.734 0 N-CA-C 107.306 -1.368 . . . . 0.0 107.306 -177.469 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 71.68 -0.83 33.27 Favored Glycine 0 CA--C 1.529 0.932 0 O-C-N 124.872 1.357 . . . . 0.0 113.65 178.396 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -174.34 80.85 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.484 0.755 . . . . 0.0 111.13 -179.862 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 41' ' ' GLU . . . . . 0.402 ' HA ' ' HB3' ' A' ' 44' ' ' LEU . 0.2 OUTLIER -123.68 10.23 9.01 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.486 1.116 . . . . 0.0 111.052 179.573 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -102.41 -63.53 1.15 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.312 1.008 . . . . 0.0 108.376 179.311 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 40.2 mt-10 -77.71 0.67 22.63 Favored 'General case' 0 CA--C 1.539 0.557 0 O-C-N 124.858 1.349 . . . . 0.0 110.471 177.438 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 44' ' ' LEU . . . . . 0.402 ' HB3' ' HA ' ' A' ' 41' ' ' GLU . 1.4 tm? -87.11 -34.46 19.1 Favored 'General case' 0 C--N 1.323 -0.563 0 N-CA-C 106.423 -1.695 . . . . 0.0 106.423 176.952 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -73.92 -23.86 59.59 Favored 'General case' 0 CA--C 1.536 0.421 0 CA-C-N 114.085 -1.416 . . . . 0.0 108.258 177.246 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 46' ' ' GLN . . . . . . . . . . . . . 2.5 tm0? -78.37 -20.75 50.58 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-N 114.379 -1.282 . . . . 0.0 109.77 -179.645 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 47' ' ' ARG . . . . . 0.726 ' HG2' HH11 ' A' ' 47' ' ' ARG . 22.8 mmt-85 -73.6 -35.31 65.37 Favored 'General case' 0 CA--C 1.539 0.532 0 O-C-N 125.294 1.621 . . . . 0.0 108.011 177.427 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 48' ' ' ILE . . . . . 0.865 HD13 HMB3 ' A' ' 83' ' ' HEM . 2.2 mt -64.92 -24.98 36.67 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 125.102 1.501 . . . . 0.0 110.676 179.492 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 49' ' ' LYS . . . . . 0.606 ' HB2' HG23 ' A' ' 66' ' ' VAL . 3.5 ptpp? -118.37 2.33 11.87 Favored 'General case' 0 N--CA 1.449 -0.485 0 N-CA-C 113.904 1.076 . . . . 0.0 113.904 -177.722 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 16.9 t30 -129.54 -5.06 4.73 Favored 'General case' 0 N--CA 1.45 -0.431 0 O-C-N 124.267 0.979 . . . . 0.0 111.804 -179.545 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 76.67 149.36 3.01 Favored Glycine 0 CA--C 1.529 0.931 0 O-C-N 124.289 0.993 . . . . 0.0 111.694 179.636 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 52' ' ' SER . . . . . 0.457 ' HB2' HBD2 ' A' ' 83' ' ' HEM . 13.0 m -81.82 -152.51 0.1 Allowed 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.47 0.747 . . . . 0.0 109.561 179.808 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -160.29 39.61 0.18 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.452 1.095 . . . . 0.0 110.173 -179.858 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 73.06 76.33 0.66 Allowed Glycine 0 CA--C 1.531 1.056 0 CA-C-N 114.82 -1.082 . . . . 0.0 110.59 -179.782 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 48.7 t -93.14 -40.64 12.11 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.427 0 O-C-N 124.491 0.76 . . . . 0.0 110.177 -179.457 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 56' ' ' TRP . . . . . 0.517 ' CH2' ' HB3' ' A' ' 29' ' ' ASP . 8.1 m95 -99.17 -24.0 15.02 Favored 'General case' 0 C--N 1.326 -0.425 0 O-C-N 124.547 1.155 . . . . 0.0 109.225 -179.481 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 146.58 -67.13 0.41 Allowed Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.402 1.064 . . . . 0.0 112.821 179.358 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 58' ' ' PRO . . . . . 0.438 ' HG2' ' HE2' ' A' ' 21' ' ' LYS . 17.3 Cg_exo -51.36 169.65 0.2 Allowed 'Trans proline' 0 C--N 1.361 1.2 0 O-C-N 124.458 1.767 . . . . 0.0 112.326 -178.729 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 59' ' ' ILE . . . . . 0.475 HG13 ' CD ' ' A' ' 60' ' ' PRO . 0.3 OUTLIER -49.72 155.49 1.43 Allowed Pre-proline 0 C--N 1.327 -0.396 0 CA-C-N 114.874 -1.057 . . . . 0.0 109.99 -179.805 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 60' ' ' PRO . . . . . 0.475 ' CD ' HG13 ' A' ' 59' ' ' ILE . 19.8 Cg_endo -77.43 160.03 32.31 Favored 'Trans proline' 0 C--N 1.36 1.161 0 O-C-N 124.331 1.7 . . . . 0.0 111.884 -179.215 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 61' ' ' MET . . . . . 0.527 ' HB2' ' C4D' ' A' ' 83' ' ' HEM . 5.3 ttp -64.14 130.35 94.5 Favored Pre-proline 0 C--N 1.326 -0.456 0 O-C-N 124.38 1.05 . . . . 0.0 111.547 -179.958 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 62' ' ' PRO . . . . . 0.44 ' HD2' ' HG3' ' A' ' 61' ' ' MET . 0.9 OUTLIER -50.85 116.08 2.4 Favored 'Trans proline' 0 C--N 1.361 1.185 0 O-C-N 124.49 1.784 . . . . 0.0 110.205 179.268 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 63' ' ' PRO . . . . . . . . . . . . . 11.7 Cg_endo -64.9 107.87 0.99 Allowed 'Trans proline' 0 C--N 1.36 1.15 0 O-C-N 124.292 1.68 . . . . 0.0 110.951 -179.392 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 28.7 m-20 -96.29 -160.9 0.83 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.416 1.072 . . . . 0.0 109.032 179.757 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -144.35 98.6 3.23 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.432 1.082 . . . . 0.0 109.493 -179.936 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 66' ' ' VAL . . . . . 0.606 HG23 ' HB2' ' A' ' 49' ' ' LYS . 1.5 t -108.79 170.19 2.94 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.491 1.119 . . . . 0.0 109.237 179.985 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 67' ' ' SER . . . . . 0.422 ' H ' HG12 ' A' ' 66' ' ' VAL . 14.6 m -93.54 22.26 5.54 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.484 1.115 . . . . 0.0 110.545 -179.723 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 68' ' ' ASP . . . . . 0.436 ' HA ' ' CE ' ' A' ' 49' ' ' LYS . 31.0 t0 52.89 57.46 6.33 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.344 1.028 . . . . 0.0 109.813 179.876 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 4.4 m-20 -153.03 -68.51 0.15 Allowed 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 114.727 -1.124 . . . . 0.0 108.366 179.19 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 70' ' ' GLU . . . . . 0.508 ' O ' HD23 ' A' ' 74' ' ' LEU . 3.7 mt-10 -54.28 -23.17 13.99 Favored 'General case' 0 C--N 1.326 -0.431 0 O-C-N 124.824 1.327 . . . . 0.0 109.026 178.118 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -81.19 -47.57 13.25 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 114.567 -1.197 . . . . 0.0 108.71 179.011 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -47.67 -34.65 8.39 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.7 1.25 . . . . 0.0 112.308 -179.696 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 73' ' ' THR . . . . . 0.598 HG22 HD22 ' A' ' 74' ' ' LEU . 1.0 OUTLIER -77.64 -45.56 24.66 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.15 0.906 . . . . 0.0 110.826 -179.599 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 74' ' ' LEU . . . . . 0.665 ' HB3' HMB2 ' A' ' 83' ' ' HEM . 3.9 mm? -73.76 -6.71 48.6 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.572 1.17 . . . . 0.0 110.556 -179.982 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -94.49 -19.78 20.25 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.157 0.911 . . . . 0.0 110.047 -179.642 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -88.18 -13.43 41.18 Favored 'General case' 0 C--N 1.323 -0.573 0 O-C-N 124.605 1.191 . . . . 0.0 108.996 179.124 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 77' ' ' TRP . . . . . 0.608 ' CE3' ' CE2' ' A' ' 27' ' ' TYR . 27.7 t90 -90.15 -43.71 10.26 Favored 'General case' 0 C--N 1.324 -0.535 0 N-CA-C 106.458 -1.682 . . . . 0.0 106.458 178.774 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 78' ' ' VAL . . . . . 0.72 HG23 ' CE2' ' A' ' 27' ' ' TYR . 0.9 OUTLIER -61.91 -50.91 78.24 Favored 'Isoleucine or valine' 0 CA--C 1.544 0.718 0 N-CA-C 105.977 -1.861 . . . . 0.0 105.977 176.702 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 79' ' ' LEU . . . . . 0.567 ' N ' HG12 ' A' ' 78' ' ' VAL . 1.5 tp -57.92 -64.42 0.91 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 113.459 -1.7 . . . . 0.0 109.37 -179.658 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 31.2 t -112.56 123.49 50.41 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.385 1.053 . . . . 0.0 110.144 -179.914 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 81' ' ' GLN . . . . . . . . . . . . . 2.4 mt-30 -51.43 -76.53 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.15 0.906 . . . . 0.0 110.182 -179.95 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--N 1.326 -0.451 0 O-C-N 124.535 1.147 . . . . 0.0 109.278 179.889 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 83' ' ' HEM . . . . . 0.865 HMB3 HD13 ' A' ' 48' ' ' ILE . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 1' ' ' GLU . . . . . . . . . . . . . 8.3 mm-40 . . . . . 0 N--CA 1.452 -0.358 0 N-CA-C 110.364 -0.236 . . . . 0.0 110.364 . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 2' ' ' ASP . . . . . 0.477 ' N ' ' CD ' ' A' ' 3' ' ' PRO . 0.3 OUTLIER 172.33 -51.54 0.0 OUTLIER Pre-proline 0 C--N 1.327 -0.413 0 O-C-N 124.525 1.141 . . . . 0.0 110.091 179.979 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 3' ' ' PRO . . . . . 0.477 ' CD ' ' N ' ' A' ' 2' ' ' ASP . 25.6 Cg_endo -80.76 -26.95 3.44 Favored 'Trans proline' 0 C--N 1.358 1.032 0 O-C-N 124.476 1.777 . . . . 0.0 110.516 -179.654 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 12.8 tm-20 -81.14 -19.96 42.38 Favored 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.686 1.241 . . . . 0.0 109.953 179.061 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 5.2 t -91.63 -27.12 4.88 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.52 0 O-C-N 124.476 1.11 . . . . 0.0 109.106 179.889 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 6' ' ' LEU . . . . . 0.416 ' HA ' ' HB2' ' A' ' 9' ' ' ASN . 3.7 tt -83.2 -33.1 26.22 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.619 1.199 . . . . 0.0 107.927 178.821 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 7' ' ' PHE . . . . . 0.66 ' CD2' ' HB3' ' A' ' 12' ' ' CYS . 7.9 t80 -62.71 -47.31 84.16 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 114.323 -1.308 . . . . 0.0 110.68 179.469 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 8.7 tttt -86.29 -15.72 39.77 Favored 'General case' 0 C--N 1.327 -0.402 0 O-C-N 124.837 1.336 . . . . 0.0 111.9 -178.93 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 9' ' ' ASN . . . . . 0.416 ' HB2' ' HA ' ' A' ' 6' ' ' LEU . 1.4 t-20 -52.83 -64.81 0.7 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.35 1.031 . . . . 0.0 108.864 179.931 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 1.3 ptpp? 175.23 80.43 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.674 1.234 . . . . 0.0 109.089 179.707 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 140.03 97.01 0.33 Allowed Glycine 0 CA--C 1.531 1.076 0 O-C-N 124.649 1.218 . . . . 0.0 111.754 179.846 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 12' ' ' CYS . . . . . 0.66 ' HB3' ' CD2' ' A' ' 7' ' ' PHE . 3.7 m 140.67 -64.27 0.0 OUTLIER 'General case' 0 CA--C 1.558 1.264 0 N-CA-C 104.806 -2.294 . . . . 0.0 104.806 -179.575 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 13' ' ' VAL . . . . . 0.597 ' HB ' ' CE1' ' A' ' 7' ' ' PHE . 1.8 p -69.21 -8.33 9.95 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.537 0 O-C-N 125.51 1.756 . . . . 0.0 110.974 178.967 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -48.08 -32.24 6.53 Favored 'General case' 0 CA--C 1.541 0.61 0 O-C-N 126.502 2.376 . . . . 0.0 106.522 177.984 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 15' ' ' CYS . . . . . 0.405 ' HB3' HG21 ' A' ' 23' ' ' VAL . 0.0 OUTLIER -152.1 24.7 0.64 Allowed 'General case' 0 C--O 1.238 0.474 0 CA-C-N 113.858 -1.519 . . . . 0.0 111.849 178.77 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 16' ' ' HIS . . . . . 0.446 ' HB2' ' O ' ' A' ' 12' ' ' CYS . 33.3 m-70 -120.39 -179.02 3.83 Favored 'General case' 0 N--CA 1.445 -0.71 0 CA-C-O 122.737 1.256 . . . . 0.0 113.968 179.934 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -158.13 171.58 19.96 Favored 'General case' 0 CA--C 1.54 0.577 0 CA-C-N 113.285 -1.78 . . . . 0.0 108.511 179.49 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 18' ' ' ILE . . . . . 0.629 HD13 ' CB ' ' A' ' 27' ' ' TYR . 0.2 OUTLIER -134.86 53.76 0.33 Allowed 'Isoleucine or valine' 0 CA--C 1.541 0.605 0 N-CA-C 107.511 -1.292 . . . . 0.0 107.511 178.314 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 1.9 p30 160.7 -19.29 0.0 OUTLIER 'General case' 0 N--CA 1.451 -0.397 0 CA-C-N 113.621 -1.627 . . . . 0.0 111.545 178.627 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -127.03 175.31 8.2 Favored 'General case' 0 C--N 1.324 -0.531 0 O-C-N 124.3 1.0 . . . . 0.0 111.232 -179.275 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 5.2 ptmm? -118.14 142.08 47.81 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 114.895 -1.048 . . . . 0.0 109.927 -179.786 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 22' ' ' MET . . . . . . . . . . . . . 20.9 mtt -139.77 -89.94 0.19 Allowed 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 114.911 -1.04 . . . . 0.0 110.272 179.46 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 23' ' ' VAL . . . . . 0.405 HG21 ' HB3' ' A' ' 15' ' ' CYS . 2.7 t -101.09 -37.31 5.34 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 N-CA-C 107.942 -1.133 . . . . 0.0 107.942 178.416 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -114.09 -168.39 16.36 Favored Glycine 0 CA--C 1.532 1.125 0 O-C-N 124.847 1.342 . . . . 0.0 111.354 -179.723 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 25' ' ' PRO . . . . . 0.594 ' CD ' ' CHA' ' A' ' 83' ' ' HEM . 87.4 Cg_endo -81.07 141.55 13.13 Favored 'Trans proline' 0 N--CA 1.448 -1.192 0 C-N-CA 122.167 1.911 . . . . 0.0 113.528 -178.885 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -63.51 131.57 48.53 Favored 'General case' 0 C--N 1.325 -0.489 0 N-CA-C 105.844 -1.91 . . . . 0.0 105.844 175.588 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 27' ' ' TYR . . . . . 0.737 ' CE2' HG23 ' A' ' 78' ' ' VAL . 5.9 m-85 -59.29 -19.73 48.52 Favored 'General case' 0 C--N 1.324 -0.537 0 O-C-N 124.813 1.321 . . . . 0.0 110.511 -178.892 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 1.2 tttt -80.41 -39.16 28.84 Favored 'General case' 0 CA--C 1.536 0.408 0 O-C-N 124.443 1.09 . . . . 0.0 109.954 179.941 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 29' ' ' ASP . . . . . 0.531 ' HB3' ' CH2' ' A' ' 56' ' ' TRP . 0.2 OUTLIER -65.4 -34.05 77.39 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.74 1.275 . . . . 0.0 108.162 179.582 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 30' ' ' VAL . . . . . 0.627 HG11 HG13 ' A' ' 78' ' ' VAL . 6.9 t -73.16 -31.63 35.45 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.544 0 N-CA-C 106.883 -1.525 . . . . 0.0 106.883 177.457 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 31' ' ' ALA . . . . . 0.546 ' HA ' ' HB2' ' A' ' 35' ' ' ALA . . . -89.37 15.33 9.32 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 114.022 -1.445 . . . . 0.0 109.644 179.091 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -129.55 2.99 5.03 Favored 'General case' 0 CA--C 1.537 0.446 0 O-C-N 124.064 0.853 . . . . 0.0 111.272 179.407 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -135.86 -24.46 1.31 Allowed 'General case' 0 N--CA 1.449 -0.484 0 O-C-N 124.781 1.301 . . . . 0.0 113.875 179.566 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 1.6 t80 -125.3 -1.32 7.61 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 123.805 0.691 . . . . 0.0 112.266 179.851 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 35' ' ' ALA . . . . . 0.546 ' HB2' ' HA ' ' A' ' 31' ' ' ALA . . . -76.3 -179.83 5.34 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.304 1.003 . . . . 0.0 108.968 179.051 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 49.17 23.76 4.26 Favored Glycine 0 CA--C 1.531 1.034 0 O-C-N 124.384 1.052 . . . . 0.0 111.14 179.972 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 78.8 mm-40 -135.84 -63.57 0.65 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.418 0.717 . . . . 0.0 110.344 -179.553 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . 56.02 -163.94 0.15 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.484 1.115 . . . . 0.0 109.239 -179.851 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 112.27 -37.7 3.56 Favored Glycine 0 CA--C 1.529 0.939 0 O-C-N 124.508 1.13 . . . . 0.0 110.936 -179.838 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -80.24 -95.04 0.04 OUTLIER 'General case' 0 C--N 1.326 -0.415 0 O-C-N 124.504 0.767 . . . . 0.0 109.484 -179.993 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER 51.06 18.81 0.59 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.175 0.922 . . . . 0.0 111.444 -179.508 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -124.61 -56.66 1.59 Allowed 'General case' 0 C--N 1.324 -0.509 0 N-CA-C 106.966 -1.494 . . . . 0.0 106.966 177.787 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 43' ' ' GLU . . . . . 0.435 ' HA ' ' HB3' ' A' ' 46' ' ' GLN . 3.9 tt0 -86.5 -4.59 59.2 Favored 'General case' 0 CA--C 1.542 0.642 0 O-C-N 125.346 1.654 . . . . 0.0 110.021 176.573 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 1.3 tm? -90.05 -34.28 16.0 Favored 'General case' 0 C--N 1.325 -0.478 0 N-CA-C 107.475 -1.305 . . . . 0.0 107.475 177.416 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -76.7 -23.0 53.14 Favored 'General case' 0 CA--C 1.537 0.471 0 O-C-N 124.919 1.387 . . . . 0.0 107.662 176.95 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 46' ' ' GLN . . . . . 0.435 ' HB3' ' HA ' ' A' ' 43' ' ' GLU . 28.3 tt0 -76.62 -21.95 54.81 Favored 'General case' 0 CA--C 1.536 0.422 0 CA-C-N 114.166 -1.379 . . . . 0.0 109.484 179.727 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 10.4 mmt180 -70.31 -36.49 74.34 Favored 'General case' 0 CA--C 1.545 0.751 0 O-C-N 125.36 1.663 . . . . 0.0 107.524 176.988 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 48' ' ' ILE . . . . . 0.799 HD13 HMB3 ' A' ' 83' ' ' HEM . 18.3 mt -78.52 -9.65 12.44 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 125.27 1.606 . . . . 0.0 111.12 179.694 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -118.16 -5.62 10.91 Favored 'General case' 0 N--CA 1.451 -0.38 0 O-C-N 123.903 0.752 . . . . 0.0 112.884 -178.385 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 50' ' ' ASN . . . . . 0.468 ' HA ' ' HB3' ' A' ' 63' ' ' PRO . 0.8 OUTLIER -138.02 -4.62 1.72 Allowed 'General case' 0 N--CA 1.45 -0.462 0 O-C-N 124.767 1.292 . . . . 0.0 113.027 -178.897 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 83.79 162.91 34.39 Favored Glycine 0 CA--C 1.53 0.988 0 O-C-N 124.108 0.88 . . . . 0.0 111.484 179.637 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -137.27 138.02 39.63 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.442 0.73 . . . . 0.0 109.782 179.803 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 53' ' ' GLN . . . . . 0.419 ' HB3' ' HB3' ' A' ' 60' ' ' PRO . 2.5 pt20 -141.3 90.9 2.34 Favored 'General case' 0 C--N 1.324 -0.53 0 O-C-N 124.551 1.157 . . . . 0.0 110.362 -179.838 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 129.73 66.53 0.11 Allowed Glycine 0 CA--C 1.532 1.095 0 O-C-N 124.441 1.088 . . . . 0.0 110.925 -179.985 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 55' ' ' VAL . . . . . 0.465 HG12 ' CD1' ' A' ' 56' ' ' TRP . 13.3 t -138.38 -76.98 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.63 0.841 . . . . 0.0 109.45 -179.885 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 56' ' ' TRP . . . . . 0.531 ' CH2' ' HB3' ' A' ' 29' ' ' ASP . 3.0 m95 -97.57 -26.51 14.77 Favored 'General case' 0 C--N 1.327 -0.401 0 O-C-N 124.452 1.095 . . . . 0.0 108.366 179.934 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 168.98 -156.42 27.71 Favored Glycine 0 CA--C 1.529 0.968 0 O-C-N 124.418 1.073 . . . . 0.0 111.146 179.77 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 58' ' ' PRO . . . . . . . . . . . . . 19.4 Cg_endo -72.34 -160.27 0.09 OUTLIER 'Trans proline' 0 C--N 1.36 1.167 0 O-C-N 124.561 1.822 . . . . 0.0 110.869 -179.956 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 59' ' ' ILE . . . . . . . . . . . . . 0.3 OUTLIER 60.22 83.54 0.21 Allowed Pre-proline 0 C--N 1.326 -0.439 0 O-C-N 124.578 1.174 . . . . 0.0 109.168 -179.934 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 60' ' ' PRO . . . . . 0.419 ' HB3' ' HB3' ' A' ' 53' ' ' GLN . 18.1 Cg_endo -74.36 160.99 41.16 Favored 'Trans proline' 0 C--N 1.36 1.178 0 O-C-N 124.481 1.78 . . . . 0.0 111.068 -179.553 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 61' ' ' MET . . . . . 0.486 ' HB2' ' C1D' ' A' ' 83' ' ' HEM . 10.1 ttp -90.05 113.46 57.28 Favored Pre-proline 0 C--N 1.325 -0.458 0 O-C-N 124.533 1.146 . . . . 0.0 110.9 179.994 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 62' ' ' PRO . . . . . 0.793 ' HG2' HBC2 ' A' ' 83' ' ' HEM . 6.8 Cg_exo -49.18 109.7 0.29 Allowed 'Trans proline' 0 C--N 1.362 1.253 0 O-C-N 124.527 1.804 . . . . 0.0 110.753 -179.527 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 63' ' ' PRO . . . . . 0.468 ' HB3' ' HA ' ' A' ' 50' ' ' ASN . 17.9 Cg_exo -48.37 108.59 0.19 Allowed 'Trans proline' 0 C--N 1.361 1.216 0 O-C-N 124.461 1.769 . . . . 0.0 110.774 -179.815 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 66.0 t30 -79.31 -43.13 24.22 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.604 1.19 . . . . 0.0 109.787 -179.634 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . 65.4 97.56 0.05 OUTLIER 'General case' 0 C--N 1.324 -0.533 0 O-C-N 124.439 1.087 . . . . 0.0 109.618 -179.944 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 66' ' ' VAL . . . . . 0.457 HG21 ' HB2' ' A' ' 71' ' ' ALA . 0.5 OUTLIER -102.73 -146.85 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.331 1.019 . . . . 0.0 109.171 179.824 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 18.8 t -109.15 25.95 11.2 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.37 1.044 . . . . 0.0 110.108 -179.914 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER 45.77 32.06 1.16 Allowed 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.651 1.219 . . . . 0.0 110.149 179.971 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 34.3 t70 -141.33 -68.25 0.39 Allowed 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 114.579 -1.191 . . . . 0.0 108.309 179.073 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 70' ' ' GLU . . . . . 0.425 ' O ' HD12 ' A' ' 74' ' ' LEU . 0.2 OUTLIER -54.02 -23.65 14.22 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.878 1.361 . . . . 0.0 108.963 178.127 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 71' ' ' ALA . . . . . 0.457 ' HB2' HG21 ' A' ' 66' ' ' VAL . . . -80.27 -46.72 15.72 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 114.487 -1.233 . . . . 0.0 108.669 179.141 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 1.2 tt0 -50.57 -24.04 2.96 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.709 1.256 . . . . 0.0 110.576 179.816 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 73' ' ' THR . . . . . 0.418 HG22 ' N ' ' A' ' 74' ' ' LEU . 0.5 OUTLIER -72.9 -52.18 15.7 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.483 1.115 . . . . 0.0 110.178 179.774 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 74' ' ' LEU . . . . . 0.425 HD12 ' O ' ' A' ' 70' ' ' GLU . 1.1 mp -74.58 -9.84 58.97 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.566 1.166 . . . . 0.0 110.352 179.643 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -79.82 -25.93 40.67 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.271 0.982 . . . . 0.0 109.319 -179.972 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 2.1 pttp -87.23 -19.17 28.74 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.701 1.251 . . . . 0.0 109.648 179.736 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 77' ' ' TRP . . . . . 0.517 ' CE3' ' CE2' ' A' ' 27' ' ' TYR . 29.5 t90 -83.48 -42.11 17.27 Favored 'General case' 0 C--N 1.324 -0.513 0 N-CA-C 106.687 -1.597 . . . . 0.0 106.687 179.069 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 78' ' ' VAL . . . . . 0.761 HG21 HMA2 ' A' ' 83' ' ' HEM . 0.9 OUTLIER -61.28 -52.14 64.86 Favored 'Isoleucine or valine' 0 CA--C 1.543 0.675 0 N-CA-C 106.156 -1.794 . . . . 0.0 106.156 177.282 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 79' ' ' LEU . . . . . 0.554 ' N ' HG12 ' A' ' 78' ' ' VAL . 3.5 mt -51.03 -70.3 0.09 Allowed 'General case' 0 N--CA 1.451 -0.413 0 O-C-N 125.218 1.574 . . . . 0.0 108.977 179.753 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 2.1 m -85.36 -133.21 0.05 Allowed 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 114.213 -1.358 . . . . 0.0 109.289 -179.901 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 81' ' ' GLN . . . . . . . . . . . . . 13.4 tt0 -154.85 -43.89 0.09 Allowed 'General case' 0 C--N 1.324 -0.53 0 O-C-N 124.325 1.015 . . . . 0.0 110.606 179.987 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 4.6 tttt . . . . . 0 C--N 1.326 -0.446 0 O-C-N 124.339 1.024 . . . . 0.0 109.09 179.995 . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 83' ' ' HEM . . . . . 0.799 HMB3 HD13 ' A' ' 48' ' ' ILE . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 1' ' ' GLU . . . . . . . . . . . . . 11.9 tt0 . . . . . 0 N--CA 1.453 -0.305 0 N-CA-C 110.287 -0.264 . . . . 0.0 110.287 . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 2' ' ' ASP . . . . . 0.449 ' N ' ' HD3' ' A' ' 3' ' ' PRO . 0.3 OUTLIER 168.94 64.97 0.01 OUTLIER Pre-proline 0 C--N 1.324 -0.53 0 O-C-N 124.61 1.194 . . . . 0.0 109.06 179.867 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 3' ' ' PRO . . . . . 0.525 ' HB2' ' CG ' ' A' ' 77' ' ' TRP . 37.9 Cg_endo -84.32 -25.32 2.18 Favored 'Trans proline' 0 C--N 1.358 1.045 0 O-C-N 124.653 1.87 . . . . 0.0 109.859 179.988 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 20.3 mt-10 -81.08 -20.96 40.41 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.855 1.347 . . . . 0.0 109.461 178.524 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 5' ' ' VAL . . . . . 0.432 ' HB ' ' HB2' ' A' ' 2' ' ' ASP . 0.9 OUTLIER -85.69 -35.95 10.16 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.801 1.313 . . . . 0.0 108.619 179.227 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 6' ' ' LEU . . . . . 0.453 ' HG ' HD21 ' A' ' 74' ' ' LEU . 15.2 tp -73.32 -38.59 65.75 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.588 1.18 . . . . 0.0 108.727 179.394 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 7' ' ' PHE . . . . . 0.671 ' CD2' ' HB3' ' A' ' 12' ' ' CYS . 1.3 t80 -71.37 -14.78 62.29 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.682 1.239 . . . . 0.0 110.94 179.382 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 37.6 tttt -115.42 12.84 16.39 Favored 'General case' 0 C--N 1.326 -0.42 0 O-C-N 124.239 0.962 . . . . 0.0 111.748 -179.239 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 40.4 m-20 -95.22 40.64 1.1 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.149 0.906 . . . . 0.0 108.629 179.375 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER 62.66 69.1 0.61 Allowed 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 114.569 -1.196 . . . . 0.0 108.718 -179.72 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 158.88 93.67 0.1 OUTLIER Glycine 0 CA--C 1.532 1.124 0 O-C-N 124.577 1.173 . . . . 0.0 111.374 -179.708 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 12' ' ' CYS . . . . . 0.671 ' HB3' ' CD2' ' A' ' 7' ' ' PHE . 12.1 m 133.89 -60.21 0.0 OUTLIER 'General case' 0 CA--C 1.556 1.174 0 N-CA-C 104.664 -2.347 . . . . 0.0 104.664 -178.993 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 13' ' ' VAL . . . . . 0.662 HG23 ' CZ ' ' A' ' 7' ' ' PHE . 0.5 OUTLIER -71.02 -5.8 6.28 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 125.524 1.765 . . . . 0.0 110.218 177.899 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -46.93 -30.21 2.44 Favored 'General case' 0 CA--C 1.541 0.621 0 O-C-N 126.223 2.202 . . . . 0.0 106.649 177.426 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 15' ' ' CYS . . . . . 0.426 ' N ' ' C ' ' A' ' 13' ' ' VAL . 0.8 OUTLIER -167.96 37.66 0.03 OUTLIER 'General case' 0 C--O 1.238 0.49 0 O-C-N 125.594 1.809 . . . . 0.0 113.849 178.321 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 16' ' ' HIS . . . . . 0.503 ' CE1' ' HD2' ' A' ' 25' ' ' PRO . 4.6 m-70 -108.93 -99.93 0.38 Allowed 'General case' 0 N--CA 1.452 -0.361 0 N-CA-C 113.972 1.101 . . . . 0.0 113.972 179.83 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 17' ' ' ALA . . . . . 0.418 ' HB3' ' O ' ' A' ' 16' ' ' HIS . . . 102.37 152.11 0.01 OUTLIER 'General case' 0 CA--C 1.545 0.78 0 N-CA-C 107.178 -1.415 . . . . 0.0 107.178 -176.916 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 18' ' ' ILE . . . . . 0.617 HD12 ' O ' ' A' ' 18' ' ' ILE . 0.5 OUTLIER -99.81 -24.93 4.01 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.44 0 O-C-N 125.021 1.451 . . . . 0.0 112.299 -178.075 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 28.0 t0 -136.56 27.98 3.03 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.414 1.071 . . . . 0.0 109.191 179.754 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -144.96 159.67 42.56 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.609 1.193 . . . . 0.0 110.131 179.71 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 21' ' ' LYS . . . . . 0.453 ' CB ' ' NZ ' ' A' ' 21' ' ' LYS . 1.0 OUTLIER -112.73 165.51 12.22 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.546 1.154 . . . . 0.0 109.163 179.999 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 22' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -175.08 -88.56 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.428 0 O-C-N 124.473 1.108 . . . . 0.0 110.691 179.839 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 1.5 t -112.97 -36.81 2.57 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.378 1.049 . . . . 0.0 108.83 179.746 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -111.98 173.52 15.63 Favored Glycine 0 CA--C 1.532 1.135 0 CA-C-N 114.569 -1.196 . . . . 0.0 111.432 -179.183 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 25' ' ' PRO . . . . . 0.724 ' CD ' ' CHA' ' A' ' 83' ' ' HEM . 58.9 Cg_endo -72.06 146.74 47.37 Favored 'Trans proline' 0 C--N 1.359 1.117 0 C-N-CA 121.976 1.784 . . . . 0.0 111.684 -179.342 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -78.76 142.16 37.23 Favored 'General case' 0 C--N 1.325 -0.49 0 N-CA-C 106.688 -1.597 . . . . 0.0 106.688 177.11 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 27' ' ' TYR . . . . . 0.648 ' CE2' ' CE3' ' A' ' 77' ' ' TRP . 11.8 m-85 -68.33 -18.38 64.48 Favored 'General case' 0 C--N 1.323 -0.559 0 O-C-N 124.725 1.266 . . . . 0.0 111.817 -178.443 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 34.6 tttt -86.68 -22.06 26.32 Favored 'General case' 0 C--N 1.326 -0.424 0 O-C-N 124.536 1.147 . . . . 0.0 109.893 -179.999 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 29' ' ' ASP . . . . . 0.42 ' HB3' ' CH2' ' A' ' 56' ' ' TRP . 0.3 OUTLIER -82.29 -40.91 20.85 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.523 1.139 . . . . 0.0 107.97 178.356 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 4.1 t -64.36 -33.18 61.07 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.909 1.381 . . . . 0.0 107.512 178.153 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -71.33 -32.03 68.09 Favored 'General case' 0 CA--C 1.535 0.377 0 O-C-N 124.893 1.371 . . . . 0.0 108.234 178.697 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -91.4 16.28 10.51 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 114.644 -1.162 . . . . 0.0 111.268 -179.566 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -129.5 -82.09 0.56 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.303 1.002 . . . . 0.0 108.738 179.071 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 0.7 OUTLIER -66.72 -29.11 69.02 Favored 'General case' 0 C--N 1.326 -0.428 0 O-C-N 124.508 1.13 . . . . 0.0 110.642 179.384 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . 53.28 -155.48 0.2 Allowed 'General case' 0 C--N 1.327 -0.402 0 O-C-N 124.824 1.328 . . . . 0.0 108.708 179.74 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . -89.43 44.31 3.06 Favored Glycine 0 CA--C 1.533 1.166 0 O-C-N 124.656 1.223 . . . . 0.0 110.547 179.443 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER -54.89 -31.39 59.85 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.483 0.755 . . . . 0.0 110.086 -179.882 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . 50.56 49.98 19.74 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.485 1.116 . . . . 0.0 110.198 179.423 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . -149.66 22.71 1.18 Allowed Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.482 1.114 . . . . 0.0 110.763 179.585 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -162.68 76.03 0.43 Allowed 'General case' 0 C--N 1.327 -0.407 0 O-C-N 124.577 0.81 . . . . 0.0 110.063 -179.748 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 41' ' ' GLU . . . . . 0.478 ' HA ' ' HB3' ' A' ' 44' ' ' LEU . 38.9 mt-10 -129.4 -28.75 2.28 Favored 'General case' 0 N--CA 1.452 -0.368 0 O-C-N 124.485 1.116 . . . . 0.0 113.319 -179.552 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -74.47 -64.86 0.94 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.223 0.952 . . . . 0.0 109.828 -179.157 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 5.7 pt-20 -77.11 -0.17 23.83 Favored 'General case' 0 CA--C 1.537 0.471 0 O-C-N 124.648 1.218 . . . . 0.0 110.617 178.244 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 44' ' ' LEU . . . . . 0.496 ' CD1' HD23 ' A' ' 79' ' ' LEU . 0.2 OUTLIER -84.98 -34.0 22.49 Favored 'General case' 0 C--N 1.323 -0.563 0 N-CA-C 106.346 -1.724 . . . . 0.0 106.346 176.657 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -73.6 -24.99 60.12 Favored 'General case' 0 N--CA 1.452 -0.364 0 CA-C-N 113.92 -1.491 . . . . 0.0 108.883 178.17 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 46' ' ' GLN . . . . . . . . . . . . . 5.7 tt0 -76.49 -21.72 55.45 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 114.612 -1.177 . . . . 0.0 109.968 -179.468 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 47' ' ' ARG . . . . . 0.426 ' O ' ' HE3' ' A' ' 61' ' ' MET . 0.0 OUTLIER -77.09 -32.99 57.04 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 125.32 1.638 . . . . 0.0 108.56 177.79 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 48' ' ' ILE . . . . . 0.899 HD13 HMB2 ' A' ' 83' ' ' HEM . 49.5 mt -63.15 -24.35 35.72 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 125.12 1.513 . . . . 0.0 109.313 178.876 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 49' ' ' LYS . . . . . 0.406 ' HB2' ' HA ' ' A' ' 65' ' ' ALA . 5.7 pttt -120.03 4.97 10.87 Favored 'General case' 0 N--CA 1.449 -0.484 0 O-C-N 124.301 1.001 . . . . 0.0 113.163 -177.925 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 3.5 t-20 -139.45 8.02 2.39 Favored 'General case' 0 C--N 1.326 -0.432 0 O-C-N 124.144 0.903 . . . . 0.0 111.628 -179.968 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 76.03 146.97 1.89 Allowed Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.149 0.906 . . . . 0.0 112.077 179.358 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 52' ' ' SER . . . . . 0.414 ' HA ' ' HG3' ' A' ' 47' ' ' ARG . 0.9 OUTLIER -78.84 -19.68 51.45 Favored 'General case' 0 C--N 1.326 -0.415 0 O-C-N 124.399 0.705 . . . . 0.0 110.737 179.929 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 53' ' ' GLN . . . . . 0.426 ' HA ' ' HB3' ' A' ' 60' ' ' PRO . 0.2 OUTLIER 74.65 18.9 2.69 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.458 1.099 . . . . 0.0 111.042 -179.968 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 92.15 91.41 1.44 Allowed Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.415 1.072 . . . . 0.0 111.529 179.603 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 55' ' ' VAL . . . . . 0.635 HG12 ' CD1' ' A' ' 56' ' ' TRP . 37.1 t -108.54 -41.48 5.17 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.499 0.764 . . . . 0.0 109.116 179.753 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 56' ' ' TRP . . . . . 0.635 ' CD1' HG12 ' A' ' 55' ' ' VAL . 7.0 m95 -109.44 27.72 9.26 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.529 1.143 . . . . 0.0 108.113 179.656 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 129.74 -155.06 20.73 Favored Glycine 0 CA--C 1.529 0.925 0 O-C-N 124.595 1.185 . . . . 0.0 111.167 179.866 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 58' ' ' PRO . . . . . . . . . . . . . 16.0 Cg_endo -77.9 -159.51 0.1 Allowed 'Trans proline' 0 C--N 1.359 1.131 0 O-C-N 124.382 1.727 . . . . 0.0 111.319 -179.322 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 59' ' ' ILE . . . . . 0.425 HG23 ' O ' ' A' ' 59' ' ' ILE . 0.0 OUTLIER 44.6 84.86 0.18 Allowed Pre-proline 0 C--N 1.325 -0.482 0 O-C-N 124.614 1.196 . . . . 0.0 111.327 179.899 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 60' ' ' PRO . . . . . 0.426 ' HB3' ' HA ' ' A' ' 53' ' ' GLN . 13.4 Cg_endo -66.47 152.97 79.69 Favored 'Trans proline' 0 C--N 1.367 1.545 0 O-C-N 123.808 1.425 . . . . 0.0 110.853 179.48 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 61' ' ' MET . . . . . 0.523 ' HB2' ' C4D' ' A' ' 83' ' ' HEM . 6.2 ttp -62.86 113.94 10.74 Favored Pre-proline 0 C--N 1.325 -0.462 0 O-C-N 124.591 1.182 . . . . 0.0 111.433 -179.862 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 62' ' ' PRO . . . . . 0.465 ' HG2' ' CBC' ' A' ' 83' ' ' HEM . 14.0 Cg_exo -54.1 110.91 0.57 Allowed 'Trans proline' 0 C--N 1.36 1.163 0 O-C-N 124.536 1.808 . . . . 0.0 110.019 178.935 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 63' ' ' PRO . . . . . . . . . . . . . 24.3 Cg_exo -44.07 102.28 0.04 OUTLIER 'Trans proline' 0 C--N 1.358 1.051 0 O-C-N 124.679 1.884 . . . . 0.0 111.051 -179.382 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 5.7 t-20 -69.23 -35.42 76.13 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.34 1.025 . . . . 0.0 110.615 -179.067 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 65' ' ' ALA . . . . . 0.406 ' HA ' ' HB2' ' A' ' 49' ' ' LYS . . . 64.91 80.62 0.23 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.438 1.087 . . . . 0.0 109.105 -179.584 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 66' ' ' VAL . . . . . 0.425 HG12 ' HB3' ' A' ' 70' ' ' GLU . 0.3 OUTLIER -103.11 -15.74 7.84 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.385 1.053 . . . . 0.0 110.583 -179.894 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER 84.67 165.85 0.1 Allowed 'General case' 0 C--N 1.323 -0.544 0 O-C-N 124.462 1.101 . . . . 0.0 109.73 -179.508 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 68' ' ' ASP . . . . . 0.422 ' O ' ' CB ' ' A' ' 69' ' ' ASP . 0.8 OUTLIER -70.29 141.4 52.37 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.524 1.14 . . . . 0.0 110.766 -179.134 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 69' ' ' ASP . . . . . 0.422 ' CB ' ' O ' ' A' ' 68' ' ' ASP . 4.0 t0 88.64 -36.95 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.443 1.089 . . . . 0.0 110.394 179.764 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 70' ' ' GLU . . . . . 0.425 ' HB3' HG12 ' A' ' 66' ' ' VAL . 4.2 mt-10 -79.05 -32.11 44.74 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.629 1.206 . . . . 0.0 108.3 178.694 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -87.64 -31.71 19.64 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 113.952 -1.476 . . . . 0.0 108.365 178.412 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 6.7 tp60 -57.65 -34.89 69.84 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.799 1.312 . . . . 0.0 110.324 179.731 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 1.1 m -70.15 -47.96 59.41 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.563 1.165 . . . . 0.0 110.46 -179.959 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 74' ' ' LEU . . . . . 0.453 HD21 ' HG ' ' A' ' 6' ' ' LEU . 2.9 mt -78.99 2.9 18.8 Favored 'General case' 0 N--CA 1.449 -0.487 0 O-C-N 124.45 1.093 . . . . 0.0 111.461 -179.481 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -100.12 -28.16 13.18 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.281 0.988 . . . . 0.0 110.573 -179.725 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 8.1 pttp -85.26 -16.32 40.56 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.596 1.185 . . . . 0.0 110.017 -179.912 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 77' ' ' TRP . . . . . 0.648 ' CE3' ' CE2' ' A' ' 27' ' ' TYR . 33.5 t90 -86.6 -38.82 16.74 Favored 'General case' 0 C--N 1.323 -0.544 0 N-CA-C 106.696 -1.594 . . . . 0.0 106.696 178.876 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 78' ' ' VAL . . . . . 0.724 HG11 ' CMA' ' A' ' 83' ' ' HEM . 1.0 OUTLIER -63.79 -54.31 33.62 Favored 'Isoleucine or valine' 0 CA--C 1.542 0.654 0 N-CA-C 106.675 -1.602 . . . . 0.0 106.675 177.134 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 79' ' ' LEU . . . . . 0.611 ' N ' HG12 ' A' ' 78' ' ' VAL . 0.3 OUTLIER -62.45 -69.68 0.24 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 113.964 -1.471 . . . . 0.0 109.241 -179.271 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -85.57 113.31 21.71 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.442 1.089 . . . . 0.0 109.756 179.69 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 81' ' ' GLN . . . . . . . . . . . . . 14.5 pt20 -51.4 -41.44 60.73 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.43 1.081 . . . . 0.0 110.707 -179.778 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.325 -0.467 0 O-C-N 124.443 1.089 . . . . 0.0 109.368 -179.993 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 83' ' ' HEM . . . . . 0.899 HMB2 HD13 ' A' ' 48' ' ' ILE . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 1' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 N--CA 1.453 -0.312 0 N-CA-C 110.33 -0.248 . . . . 0.0 110.33 . . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 2' ' ' ASP . . . . . 0.512 ' N ' ' HD3' ' A' ' 3' ' ' PRO . 2.3 m-20 70.13 56.1 0.49 Allowed Pre-proline 0 C--N 1.324 -0.541 0 O-C-N 124.507 1.129 . . . . 0.0 110.596 -179.725 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 3' ' ' PRO . . . . . 0.512 ' HD3' ' N ' ' A' ' 2' ' ' ASP . 67.7 Cg_endo -82.62 -23.93 3.78 Favored 'Trans proline' 0 C--N 1.358 1.057 0 O-C-N 124.55 1.816 . . . . 0.0 109.536 178.441 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -80.79 -23.48 39.26 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.823 1.327 . . . . 0.0 109.211 178.632 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 5' ' ' VAL . . . . . 0.434 ' HB ' ' HB3' ' A' ' 2' ' ' ASP . 41.0 t -88.34 -25.85 5.79 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.424 0 O-C-N 124.754 1.284 . . . . 0.0 108.977 179.246 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 6' ' ' LEU . . . . . 0.458 HD13 ' O ' ' A' ' 6' ' ' LEU . 0.9 OUTLIER -81.61 -35.68 29.8 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 114.821 -1.081 . . . . 0.0 108.728 179.464 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 7' ' ' PHE . . . . . 0.8 ' CZ ' HG23 ' A' ' 13' ' ' VAL . 0.4 OUTLIER -68.84 -23.94 64.31 Favored 'General case' 0 C--N 1.327 -0.406 0 O-C-N 124.827 1.329 . . . . 0.0 111.083 179.864 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 2.1 mmmt -92.38 -10.72 37.11 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.556 1.16 . . . . 0.0 111.377 -178.901 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 4.1 t30 -47.65 -75.18 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.312 1.007 . . . . 0.0 110.166 -179.694 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 6.6 mttp 176.11 79.91 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.511 1.132 . . . . 0.0 109.621 179.805 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 11' ' ' GLY . . . . . 0.565 ' O ' HMC1 ' A' ' 83' ' ' HEM . . . -179.99 -69.08 0.07 OUTLIER Glycine 0 CA--C 1.529 0.924 0 O-C-N 124.614 1.196 . . . . 0.0 111.735 179.926 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 12' ' ' CYS . . . . . 0.606 ' CB ' ' CD2' ' A' ' 7' ' ' PHE . 60.1 m -58.18 -59.73 4.85 Favored 'General case' 0 N--CA 1.449 -0.494 0 O-C-N 124.268 0.628 . . . . 0.0 110.571 -179.126 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 13' ' ' VAL . . . . . 0.8 HG23 ' CZ ' ' A' ' 7' ' ' PHE . 0.3 OUTLIER -62.19 -4.69 1.08 Allowed 'Isoleucine or valine' 0 CA--C 1.536 0.44 0 N-CA-C 114.084 1.142 . . . . 0.0 114.084 -176.869 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -52.03 -31.34 29.4 Favored 'General case' 0 CA--C 1.538 0.516 0 O-C-N 125.906 2.004 . . . . 0.0 108.164 179.619 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 3.6 p -157.29 16.86 0.27 Allowed 'General case' 0 N--CA 1.45 -0.451 0 O-C-N 125.208 1.567 . . . . 0.0 112.631 -179.515 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 16' ' ' HIS . . . . . 0.592 ' CE1' ' HD2' ' A' ' 25' ' ' PRO . 3.3 m-70 -94.27 -71.76 0.65 Allowed 'General case' 0 C--N 1.327 -0.404 0 N-CA-C 113.993 1.109 . . . . 0.0 113.993 -178.671 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 17' ' ' ALA . . . . . 0.547 ' HB1' HG23 ' A' ' 20' ' ' THR . . . 68.8 160.04 0.18 Allowed 'General case' 0 C--N 1.325 -0.476 0 N-CA-C 107.689 -1.226 . . . . 0.0 107.689 -176.686 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 18' ' ' ILE . . . . . 0.643 HD12 ' O ' ' A' ' 18' ' ' ILE . 0.5 OUTLIER -101.18 -22.41 4.74 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.399 0 O-C-N 124.135 0.897 . . . . 0.0 112.534 -178.398 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 18.4 t0 -133.96 23.34 3.88 Favored 'General case' 0 N--CA 1.45 -0.434 0 O-C-N 124.284 0.99 . . . . 0.0 112.402 -179.074 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 20' ' ' THR . . . . . 0.547 HG23 ' HB1' ' A' ' 17' ' ' ALA . 0.1 OUTLIER -146.07 157.96 43.86 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.288 0.993 . . . . 0.0 109.968 178.767 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 2.1 mtpp -116.3 163.04 16.6 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.546 1.154 . . . . 0.0 110.953 -178.951 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 22' ' ' MET . . . . . . . . . . . . . 1.6 mmm -170.93 -72.18 0.02 OUTLIER 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 114.737 -1.119 . . . . 0.0 110.442 179.934 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 1.8 t -122.83 -42.12 1.59 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.591 1.182 . . . . 0.0 108.99 179.184 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -105.82 166.48 14.17 Favored Glycine 0 CA--C 1.532 1.153 0 O-C-N 124.371 1.044 . . . . 0.0 111.778 -179.423 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 25' ' ' PRO . . . . . 0.701 ' CD ' ' CHA' ' A' ' 83' ' ' HEM . 73.5 Cg_endo -72.76 122.08 7.9 Favored 'Trans proline' 0 C--N 1.36 1.16 0 C-N-CA 122.291 1.994 . . . . 0.0 113.569 -179.12 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 26' ' ' ALA . . . . . 0.477 ' HB3' ' OD2' ' A' ' 29' ' ' ASP . . . -56.2 137.27 52.19 Favored 'General case' 0 C--N 1.325 -0.462 0 N-CA-C 106.959 -1.497 . . . . 0.0 106.959 176.977 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 27' ' ' TYR . . . . . 0.618 ' CZ ' ' CZ3' ' A' ' 77' ' ' TRP . 10.0 m-85 -64.13 -16.31 61.58 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.635 1.209 . . . . 0.0 113.233 -178.184 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 43.1 tttt -84.48 -27.81 27.2 Favored 'General case' 0 C--N 1.326 -0.416 0 O-C-N 124.381 1.051 . . . . 0.0 111.734 -179.04 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 29' ' ' ASP . . . . . 0.477 ' OD2' ' HB3' ' A' ' 26' ' ' ALA . 2.4 p30 -79.91 -33.6 39.68 Favored 'General case' 0 C--N 1.326 -0.417 0 O-C-N 124.699 1.249 . . . . 0.0 108.253 179.022 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 2.1 t -67.53 -35.46 73.26 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 N-CA-C 107.533 -1.284 . . . . 0.0 107.533 178.196 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 31' ' ' ALA . . . . . 0.549 ' HB1' ' OE1' ' A' ' 81' ' ' GLN . . . -74.94 -23.19 58.28 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 114.256 -1.338 . . . . 0.0 109.137 179.396 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -102.13 17.72 22.61 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.376 1.048 . . . . 0.0 110.771 -179.783 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 1.9 mmtt -129.28 -76.58 0.55 Allowed 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.43 1.082 . . . . 0.0 108.537 179.306 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -51.26 -44.43 61.76 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.835 1.335 . . . . 0.0 109.359 178.476 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . 51.61 64.25 1.92 Allowed 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 114.53 -1.213 . . . . 0.0 110.605 178.736 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 48.01 31.29 8.0 Favored Glycine 0 CA--C 1.529 0.923 0 O-C-N 124.544 1.152 . . . . 0.0 111.353 179.512 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 6.4 tt0 -54.23 -58.13 8.53 Favored 'General case' 0 C--N 1.327 -0.41 0 O-C-N 124.483 0.754 . . . . 0.0 109.785 -179.953 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . 65.17 162.14 0.13 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.463 1.102 . . . . 0.0 111.051 178.977 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 117.1 -2.77 19.11 Favored Glycine 0 CA--C 1.529 0.956 0 CA-C-N 114.71 -1.132 . . . . 0.0 112.362 179.578 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -144.51 9.9 1.41 Allowed 'General case' 0 N--CA 1.451 -0.407 0 O-C-N 124.378 0.693 . . . . 0.0 112.21 -179.38 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 41' ' ' GLU . . . . . 0.636 ' HG3' HD12 ' A' ' 79' ' ' LEU . 0.0 OUTLIER -50.97 -16.7 0.47 Allowed 'General case' 0 C--N 1.323 -0.568 0 N-CA-C 113.55 0.944 . . . . 0.0 113.55 -179.308 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -75.49 -57.62 3.78 Favored 'General case' 0 C--N 1.323 -0.562 0 O-C-N 124.377 1.048 . . . . 0.0 109.371 -179.887 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 9.9 pm0 -81.04 4.1 20.9 Favored 'General case' 0 CA--C 1.536 0.404 0 O-C-N 124.437 1.085 . . . . 0.0 110.891 178.788 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 44' ' ' LEU . . . . . 0.5 ' HB3' ' HA ' ' A' ' 41' ' ' GLU . 1.1 tm? -92.98 -33.25 14.22 Favored 'General case' 0 C--N 1.324 -0.532 0 N-CA-C 106.458 -1.682 . . . . 0.0 106.458 177.187 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 45' ' ' ALA . . . . . 0.408 ' HA ' HG13 ' A' ' 48' ' ' ILE . . . -78.09 -24.78 47.47 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 113.869 -1.514 . . . . 0.0 108.114 177.808 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 46' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -77.08 -24.31 51.85 Favored 'General case' 0 CA--C 1.537 0.458 0 CA-C-N 114.231 -1.35 . . . . 0.0 109.248 179.881 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 47' ' ' ARG . . . . . 0.446 ' O ' ' HE3' ' A' ' 61' ' ' MET . 2.3 mmt180 -71.42 -34.46 70.34 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 125.32 1.638 . . . . 0.0 108.695 177.828 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 48' ' ' ILE . . . . . 0.715 HD13 HMB3 ' A' ' 83' ' ' HEM . 1.6 mt -64.2 -26.42 40.38 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.913 1.383 . . . . 0.0 110.418 179.521 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 49' ' ' LYS . . . . . 0.637 ' CG ' HG23 ' A' ' 66' ' ' VAL . 1.0 OUTLIER -118.36 7.8 12.05 Favored 'General case' 0 N--CA 1.448 -0.533 0 O-C-N 124.189 0.93 . . . . 0.0 113.364 -177.881 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 49.4 t30 -135.36 -3.87 2.38 Favored 'General case' 0 N--CA 1.45 -0.448 0 O-C-N 124.358 1.036 . . . . 0.0 112.515 -179.376 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 77.1 151.63 4.43 Favored Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.095 0.872 . . . . 0.0 111.303 179.797 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -89.77 -148.6 0.19 Allowed 'General case' 0 C--N 1.324 -0.53 0 O-C-N 124.448 0.734 . . . . 0.0 109.628 179.926 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 44.9 mt-30 -135.93 -45.45 0.65 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.369 1.043 . . . . 0.0 110.365 -179.954 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 150.06 75.68 0.02 OUTLIER Glycine 0 CA--C 1.531 1.032 0 O-C-N 124.423 1.077 . . . . 0.0 110.75 -179.799 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 63.6 t -87.16 -49.33 14.85 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.513 0.772 . . . . 0.0 110.063 -179.59 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 56' ' ' TRP . . . . . . . . . . . . . 6.9 m95 -87.91 -25.78 23.05 Favored 'General case' 0 C--N 1.326 -0.42 0 O-C-N 124.491 1.12 . . . . 0.0 108.969 -179.525 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 57' ' ' GLY . . . . . 0.452 ' N ' ' HD2' ' A' ' 58' ' ' PRO . . . 135.25 -53.6 0.77 Allowed Glycine 0 CA--C 1.529 0.944 0 O-C-N 124.447 1.092 . . . . 0.0 112.718 179.695 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 58' ' ' PRO . . . . . 0.452 ' HD2' ' N ' ' A' ' 57' ' ' GLY . 33.9 Cg_exo -45.15 153.73 0.49 Allowed 'Trans proline' 0 C--N 1.359 1.124 0 O-C-N 124.48 1.779 . . . . 0.0 112.212 -178.722 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 59' ' ' ILE . . . . . 0.443 HG13 ' HD2' ' A' ' 60' ' ' PRO . 0.9 OUTLIER -50.93 138.54 24.25 Favored Pre-proline 0 C--N 1.327 -0.407 0 O-C-N 124.469 1.106 . . . . 0.0 109.515 -179.885 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 60' ' ' PRO . . . . . 0.443 ' HD2' HG13 ' A' ' 59' ' ' ILE . 6.8 Cg_exo -42.64 148.97 0.39 Allowed 'Trans proline' 0 C--N 1.359 1.114 0 O-C-N 124.595 1.84 . . . . 0.0 112.459 -179.396 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 61' ' ' MET . . . . . 0.526 ' HB2' ' C4D' ' A' ' 83' ' ' HEM . 5.9 ttp -64.27 139.07 97.61 Favored Pre-proline 0 C--N 1.327 -0.393 0 CA-C-N 114.905 -1.043 . . . . 0.0 111.554 -179.91 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 62' ' ' PRO . . . . . 0.475 ' HG3' ' CBC' ' A' ' 83' ' ' HEM . 2.1 Cg_endo -49.79 131.27 28.87 Favored 'Trans proline' 0 C--N 1.361 1.218 0 O-C-N 124.669 1.879 . . . . 0.0 110.53 179.336 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 63' ' ' PRO . . . . . 0.427 ' HD3' ' HA ' ' A' ' 62' ' ' PRO . 28.5 Cg_endo -76.8 164.22 30.34 Favored 'Trans proline' 0 C--N 1.359 1.1 0 O-C-N 124.334 1.702 . . . . 0.0 111.813 -179.64 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 64' ' ' ASN . . . . . 0.49 ' O ' ' HB3' ' A' ' 65' ' ' ALA . 7.7 p30 44.07 -149.17 0.06 Allowed 'General case' 0 C--N 1.326 -0.421 0 O-C-N 124.865 1.353 . . . . 0.0 110.57 179.673 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 65' ' ' ALA . . . . . 0.49 ' HB3' ' O ' ' A' ' 64' ' ' ASN . . . 79.95 18.83 0.66 Allowed 'General case' 0 C--N 1.326 -0.436 0 O-C-N 123.966 0.791 . . . . 0.0 110.4 -179.105 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 66' ' ' VAL . . . . . 0.637 HG23 ' CG ' ' A' ' 49' ' ' LYS . 0.0 OUTLIER -163.48 -170.12 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.374 1.047 . . . . 0.0 109.587 178.81 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 67' ' ' SER . . . . . 0.424 ' HA ' ' HE2' ' A' ' 49' ' ' LYS . 12.5 p -145.9 165.12 29.86 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 114.605 -1.18 . . . . 0.0 109.499 179.827 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 40.3 t0 -61.21 145.61 50.57 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.547 1.154 . . . . 0.0 108.898 179.775 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER 85.58 -34.82 0.05 OUTLIER 'General case' 0 C--N 1.323 -0.575 0 O-C-N 124.646 1.216 . . . . 0.0 110.142 -179.071 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 70' ' ' GLU . . . . . 0.567 ' O ' HD23 ' A' ' 74' ' ' LEU . 26.8 mm-40 -79.54 -31.38 42.06 Favored 'General case' 0 C--N 1.323 -0.558 0 O-C-N 124.609 1.193 . . . . 0.0 108.519 178.685 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 71' ' ' ALA . . . . . 0.557 ' HB1' ' HB ' ' A' ' 48' ' ' ILE . . . -87.77 -33.36 18.69 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.878 1.361 . . . . 0.0 108.077 178.455 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 31.2 tt0 -58.81 -42.28 88.75 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.719 1.262 . . . . 0.0 111.244 179.988 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 73' ' ' THR . . . . . 0.528 HG22 HD22 ' A' ' 74' ' ' LEU . 0.9 OUTLIER -69.75 -41.58 75.02 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.344 1.027 . . . . 0.0 110.419 -179.816 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 74' ' ' LEU . . . . . 0.567 HD23 ' O ' ' A' ' 70' ' ' GLU . 2.9 mm? -71.75 -19.37 62.04 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.569 1.168 . . . . 0.0 110.669 -179.355 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -83.68 -20.11 34.12 Favored 'General case' 0 C--N 1.326 -0.43 0 O-C-N 124.161 0.913 . . . . 0.0 110.218 -179.789 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 28.4 ttmt -83.51 -21.01 32.91 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.55 1.156 . . . . 0.0 109.875 -179.557 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 77' ' ' TRP . . . . . 0.618 ' CZ3' ' CZ ' ' A' ' 27' ' ' TYR . 35.3 t90 -87.9 -40.18 14.17 Favored 'General case' 0 C--N 1.324 -0.526 0 N-CA-C 106.719 -1.585 . . . . 0.0 106.719 178.986 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 78' ' ' VAL . . . . . 0.698 HG11 ' CMA' ' A' ' 83' ' ' HEM . 1.2 t -57.82 -50.38 77.88 Favored 'Isoleucine or valine' 0 CA--C 1.544 0.742 0 N-CA-C 105.553 -2.017 . . . . 0.0 105.553 176.299 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 79' ' ' LEU . . . . . 0.636 HD12 ' HG3' ' A' ' 41' ' ' GLU . 0.1 OUTLIER -65.6 -82.01 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 113.592 -1.64 . . . . 0.0 108.311 179.007 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -57.7 99.58 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.762 1.289 . . . . 0.0 109.463 179.649 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 81' ' ' GLN . . . . . 0.549 ' OE1' ' HB1' ' A' ' 31' ' ' ALA . 11.8 pt20 -66.8 -157.79 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.579 1.175 . . . . 0.0 110.454 -179.718 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.327 -0.413 0 O-C-N 124.369 1.043 . . . . 0.0 109.262 179.914 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 83' ' ' HEM . . . . . 0.715 HMB3 HD13 ' A' ' 48' ' ' ILE . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 1' ' ' GLU . . . . . . . . . . . . . 4.2 pt-20 . . . . . 0 N--CA 1.453 -0.32 0 N-CA-C 110.323 -0.251 . . . . 0.0 110.323 . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 29.6 m-20 -136.85 160.36 66.61 Favored Pre-proline 0 C--N 1.325 -0.478 0 O-C-N 124.495 1.122 . . . . 0.0 109.209 -179.96 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 3' ' ' PRO . . . . . . . . . . . . . 19.1 Cg_endo -77.07 -18.86 14.16 Favored 'Trans proline' 0 C--N 1.36 1.165 0 O-C-N 124.47 1.773 . . . . 0.0 111.266 179.785 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 4' ' ' GLU . . . . . 0.518 ' HG2' ' CE2' ' A' ' 77' ' ' TRP . 11.9 mt-10 -81.59 -23.93 36.78 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.548 1.155 . . . . 0.0 109.866 179.613 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 73.5 t -87.51 -28.61 5.6 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.57 1.169 . . . . 0.0 108.813 179.455 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 6' ' ' LEU . . . . . 0.458 ' HA ' HD23 ' A' ' 6' ' ' LEU . 1.0 OUTLIER -82.52 -32.42 28.69 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.654 1.221 . . . . 0.0 108.811 179.528 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 7' ' ' PHE . . . . . 0.743 ' CZ ' HG23 ' A' ' 13' ' ' VAL . 2.7 t80 -67.02 -27.17 67.19 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.717 1.26 . . . . 0.0 110.703 179.94 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -89.83 -21.94 22.33 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.465 1.103 . . . . 0.0 109.872 179.93 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 8.4 t30 -116.03 59.89 0.72 Allowed 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.508 1.13 . . . . 0.0 109.252 -179.885 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 1.3 tptp -155.46 -44.4 0.08 Allowed 'General case' 0 C--N 1.327 -0.375 0 O-C-N 124.359 1.037 . . . . 0.0 110.367 -179.838 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 11' ' ' GLY . . . . . 0.512 ' O ' HMC1 ' A' ' 83' ' ' HEM . . . 136.35 -6.73 3.96 Favored Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.343 1.027 . . . . 0.0 111.921 -179.634 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 12' ' ' CYS . . . . . 0.64 ' HB2' ' CD1' ' A' ' 7' ' ' PHE . 57.5 m -57.3 -60.8 3.09 Favored 'General case' 0 N--CA 1.448 -0.544 0 O-C-N 124.098 0.528 . . . . 0.0 109.92 -179.772 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 13' ' ' VAL . . . . . 0.743 HG23 ' CZ ' ' A' ' 7' ' ' PHE . 0.4 OUTLIER -61.82 -5.14 1.09 Allowed 'Isoleucine or valine' 0 CA--C 1.536 0.435 0 N-CA-C 114.503 1.298 . . . . 0.0 114.503 -176.39 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -52.4 -28.39 19.55 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 125.869 1.98 . . . . 0.0 108.064 179.412 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 1.6 p -156.29 16.03 0.33 Allowed 'General case' 0 C--O 1.238 0.448 0 O-C-N 124.984 1.428 . . . . 0.0 112.161 -179.297 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 16' ' ' HIS . . . . . 0.569 ' CE1' ' HD2' ' A' ' 25' ' ' PRO . 2.1 m-70 -98.83 -73.29 0.63 Allowed 'General case' 0 C--N 1.326 -0.456 0 N-CA-C 114.111 1.152 . . . . 0.0 114.111 -178.559 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . 70.14 157.73 0.17 Allowed 'General case' 0 CA--C 1.538 0.507 0 N-CA-C 107.247 -1.39 . . . . 0.0 107.247 -175.758 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 18' ' ' ILE . . . . . 0.597 HD12 ' N ' ' A' ' 19' ' ' ASP . 0.8 OUTLIER -92.17 -57.03 4.6 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.373 0 O-C-N 124.47 1.106 . . . . 0.0 111.254 -178.652 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 19' ' ' ASP . . . . . 0.597 ' N ' HD12 ' A' ' 18' ' ' ILE . 6.2 p-10 -98.86 16.72 21.44 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 115.166 -0.925 . . . . 0.0 111.282 -179.138 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -130.95 158.8 39.28 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.477 1.11 . . . . 0.0 110.288 179.567 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 15.4 mttt -119.06 165.44 14.13 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.511 1.132 . . . . 0.0 109.579 -179.611 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 22' ' ' MET . . . . . 0.48 ' CG ' HG23 ' A' ' 23' ' ' VAL . 1.5 tpp -175.0 -93.72 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.399 1.062 . . . . 0.0 110.602 179.689 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 23' ' ' VAL . . . . . 0.59 HG12 HMD3 ' A' ' 83' ' ' HEM . 8.3 t -97.13 -45.83 12.76 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.445 0 N-CA-C 107.817 -1.179 . . . . 0.0 107.817 178.342 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -102.89 172.44 21.72 Favored Glycine 0 CA--C 1.532 1.152 0 O-C-N 124.731 1.269 . . . . 0.0 110.962 179.683 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 25' ' ' PRO . . . . . 0.649 ' CD ' ' CHA' ' A' ' 83' ' ' HEM . 61.9 Cg_endo -73.71 152.44 47.67 Favored 'Trans proline' 0 C--N 1.359 1.099 0 O-C-N 124.369 1.72 . . . . 0.0 112.592 -178.886 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 26' ' ' ALA . . . . . 0.523 ' HB1' ' O ' ' A' ' 18' ' ' ILE . . . -75.42 128.01 34.4 Favored 'General case' 0 C--N 1.325 -0.495 0 N-CA-C 106.512 -1.662 . . . . 0.0 106.512 176.852 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 27' ' ' TYR . . . . . 0.721 ' CE2' HG23 ' A' ' 78' ' ' VAL . 9.1 m-85 -55.14 -27.68 47.26 Favored 'General case' 0 C--N 1.323 -0.566 0 O-C-N 124.759 1.287 . . . . 0.0 111.222 -178.217 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -68.82 -45.03 72.24 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.598 1.186 . . . . 0.0 109.447 179.876 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 29' ' ' ASP . . . . . 0.417 ' CG ' ' HB3' ' A' ' 26' ' ' ALA . 7.1 m-20 -62.25 -36.65 82.67 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.825 1.328 . . . . 0.0 110.328 -179.752 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 30' ' ' VAL . . . . . 0.659 HG11 HG13 ' A' ' 78' ' ' VAL . 64.6 t -72.97 -31.23 34.85 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 N-CA-C 107.155 -1.424 . . . . 0.0 107.155 178.41 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 31' ' ' ALA . . . . . 0.615 ' HA ' ' HB2' ' A' ' 35' ' ' ALA . . . -91.5 17.35 8.77 Favored 'General case' 0 CA--C 1.534 0.363 0 CA-C-N 114.28 -1.327 . . . . 0.0 109.357 178.542 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -137.37 10.71 2.99 Favored 'General case' 0 CA--C 1.538 0.497 0 CA-C-N 115.208 -0.905 . . . . 0.0 110.159 178.791 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 33' ' ' LYS . . . . . 0.439 ' HA ' ' HE3' ' A' ' 33' ' ' LYS . 0.5 OUTLIER -139.12 -57.45 0.6 Allowed 'General case' 0 C--N 1.323 -0.551 0 O-C-N 124.66 1.225 . . . . 0.0 108.827 179.058 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 9.5 m-85 -87.95 -5.27 58.62 Favored 'General case' 0 C--N 1.326 -0.421 0 O-C-N 124.316 1.01 . . . . 0.0 112.656 -179.962 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 35' ' ' ALA . . . . . 0.615 ' HB2' ' HA ' ' A' ' 31' ' ' ALA . . . -72.84 147.26 45.59 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.386 1.054 . . . . 0.0 109.206 179.979 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 92.61 -29.8 7.51 Favored Glycine 0 CA--C 1.532 1.123 0 N-CA-C 110.165 -1.174 . . . . 0.0 110.165 -179.165 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 8.1 pt20 -105.56 140.74 38.19 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.538 0.787 . . . . 0.0 109.445 179.091 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -148.9 107.13 3.74 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.536 1.147 . . . . 0.0 109.796 -179.622 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . -144.96 25.26 1.92 Allowed Glycine 0 CA--C 1.531 1.039 0 O-C-N 124.536 1.148 . . . . 0.0 111.488 179.863 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 40' ' ' ALA . . . . . 0.406 ' C ' ' CG ' ' A' ' 41' ' ' GLU . . . -148.37 -94.55 0.08 Allowed 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.564 0.802 . . . . 0.0 109.783 179.868 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 41' ' ' GLU . . . . . 0.406 ' CG ' ' C ' ' A' ' 40' ' ' ALA . 0.0 OUTLIER 49.0 23.17 0.67 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.106 0.879 . . . . 0.0 110.646 -179.527 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -134.74 -57.03 0.83 Allowed 'General case' 0 CA--C 1.541 0.619 0 N-CA-C 105.918 -1.882 . . . . 0.0 105.918 177.707 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 3.1 tt0 -84.26 2.84 38.2 Favored 'General case' 0 CA--C 1.543 0.679 0 O-C-N 125.454 1.721 . . . . 0.0 109.562 175.085 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 44' ' ' LEU . . . . . 0.442 ' CD1' HD13 ' A' ' 79' ' ' LEU . 0.1 OUTLIER -90.77 -36.1 14.48 Favored 'General case' 0 C--N 1.323 -0.558 0 N-CA-C 106.816 -1.55 . . . . 0.0 106.816 177.711 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -73.56 -25.91 60.59 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 114.218 -1.355 . . . . 0.0 108.825 178.368 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 46' ' ' GLN . . . . . 0.413 ' O ' ' CB ' ' A' ' 50' ' ' ASN . 47.3 mm-40 -77.1 -24.83 51.74 Favored 'General case' 0 CA--C 1.537 0.458 0 CA-C-N 114.318 -1.31 . . . . 0.0 109.257 179.94 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 47' ' ' ARG . . . . . 0.454 ' O ' ' HE3' ' A' ' 61' ' ' MET . 0.0 OUTLIER -71.66 -37.56 70.78 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 125.461 1.726 . . . . 0.0 108.772 177.846 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 48' ' ' ILE . . . . . 0.933 HD13 HMB3 ' A' ' 83' ' ' HEM . 68.1 mt -55.66 -33.85 34.51 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 125.26 1.6 . . . . 0.0 110.146 179.478 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 49' ' ' LYS . . . . . 0.484 ' HD2' HG23 ' A' ' 66' ' ' VAL . 9.5 mmtt -117.59 7.51 12.64 Favored 'General case' 0 N--CA 1.449 -0.495 0 N-CA-C 114.569 1.322 . . . . 0.0 114.569 -177.22 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 50' ' ' ASN . . . . . 0.413 ' CB ' ' O ' ' A' ' 46' ' ' GLN . 57.7 t30 -126.01 -5.38 6.79 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 123.988 0.805 . . . . 0.0 111.011 179.58 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 83.44 136.17 2.81 Favored Glycine 0 CA--C 1.529 0.946 0 O-C-N 124.292 0.995 . . . . 0.0 111.512 179.547 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -87.25 -9.71 54.35 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.36 0.682 . . . . 0.0 111.29 179.877 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 53' ' ' GLN . . . . . 0.422 ' HG2' ' N ' ' A' ' 54' ' ' GLY . 0.6 OUTLIER 86.34 -39.73 0.04 OUTLIER 'General case' 0 C--N 1.324 -0.542 0 O-C-N 124.399 1.062 . . . . 0.0 111.911 179.608 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 54' ' ' GLY . . . . . 0.422 ' N ' ' HG2' ' A' ' 53' ' ' GLN . . . 135.68 96.78 0.5 Allowed Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.385 1.053 . . . . 0.0 111.051 -179.838 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 75.3 t -110.6 -31.1 2.28 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.5 0 O-C-N 124.538 0.787 . . . . 0.0 109.856 -179.801 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 56' ' ' TRP . . . . . 0.407 ' CH2' ' HB2' ' A' ' 29' ' ' ASP . 5.8 m95 -102.45 -41.66 6.23 Favored 'General case' 0 C--N 1.326 -0.425 0 O-C-N 124.373 1.046 . . . . 0.0 108.552 -179.822 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -144.16 174.19 24.57 Favored Glycine 0 CA--C 1.53 0.979 0 O-C-N 124.392 1.058 . . . . 0.0 110.986 -179.842 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 58' ' ' PRO . . . . . . . . . . . . . 28.5 Cg_endo -82.93 78.74 3.2 Favored 'Trans proline' 0 C--N 1.358 1.052 0 O-C-N 124.378 1.725 . . . . 0.0 111.19 -179.661 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 59' ' ' ILE . . . . . . . . . . . . . 1.2 tt -172.33 113.26 0.38 Allowed Pre-proline 0 C--N 1.325 -0.487 0 O-C-N 124.411 1.069 . . . . 0.0 109.181 179.855 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 60' ' ' PRO . . . . . 0.415 ' HB3' ' HA ' ' A' ' 53' ' ' GLN . 29.7 Cg_endo -80.02 115.49 3.28 Favored 'Trans proline' 0 C--N 1.359 1.109 0 O-C-N 124.388 1.73 . . . . 0.0 112.333 -179.144 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 61' ' ' MET . . . . . 0.534 ' HB2' ' C1D' ' A' ' 83' ' ' HEM . 5.5 ttp -43.7 138.38 3.05 Favored Pre-proline 0 C--N 1.325 -0.481 0 O-C-N 124.483 1.114 . . . . 0.0 112.132 179.669 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 62' ' ' PRO . . . . . 0.515 ' HG2' HBC2 ' A' ' 83' ' ' HEM . 23.3 Cg_exo -45.37 105.75 0.08 OUTLIER 'Trans proline' 0 C--N 1.361 1.237 0 O-C-N 124.526 1.803 . . . . 0.0 111.672 179.805 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 63' ' ' PRO . . . . . . . . . . . . . 38.2 Cg_endo -81.97 93.27 0.94 Allowed 'Trans proline' 0 C--N 1.359 1.089 0 O-C-N 124.291 1.679 . . . . 0.0 111.136 -179.72 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 41.6 t30 -135.71 86.86 2.27 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.177 0.923 . . . . 0.0 109.651 179.958 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 65' ' ' ALA . . . . . 0.483 ' HA ' ' HB3' ' A' ' 49' ' ' LYS . . . -41.35 138.45 1.23 Allowed 'General case' 0 N--CA 1.449 -0.507 0 O-C-N 124.505 1.128 . . . . 0.0 112.882 -179.232 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 66' ' ' VAL . . . . . 0.58 HG12 ' N ' ' A' ' 67' ' ' SER . 2.3 t -117.66 -71.52 0.72 Allowed 'Isoleucine or valine' 0 CA--C 1.536 0.416 0 CA-C-N 114.882 -1.054 . . . . 0.0 108.397 178.998 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 67' ' ' SER . . . . . 0.58 ' N ' HG12 ' A' ' 66' ' ' VAL . 89.6 p -175.88 -138.14 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.741 1.276 . . . . 0.0 109.459 -179.773 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 6.8 m-20 -144.27 44.0 1.42 Allowed 'General case' 0 C--N 1.324 -0.539 0 O-C-N 124.13 0.893 . . . . 0.0 109.214 179.559 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -149.55 -66.02 0.22 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.719 1.262 . . . . 0.0 110.059 179.924 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 2.1 mt-10 -56.66 -36.61 69.76 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.539 1.149 . . . . 0.0 108.706 179.63 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -80.02 -32.03 39.58 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-N 114.144 -1.389 . . . . 0.0 108.909 178.97 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -65.09 -16.81 63.88 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.555 1.159 . . . . 0.0 111.581 -179.694 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 3.0 m -84.32 -45.27 12.97 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.265 0.978 . . . . 0.0 111.104 -179.653 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 74' ' ' LEU . . . . . 0.662 ' HB3' HMB2 ' A' ' 83' ' ' HEM . 0.2 OUTLIER -81.74 -8.07 59.66 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.464 1.102 . . . . 0.0 111.329 -179.316 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -85.19 -34.74 21.99 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.201 0.938 . . . . 0.0 109.809 -179.871 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 4.5 ptmt -82.05 -15.85 52.12 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.553 1.158 . . . . 0.0 110.345 -179.47 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 77' ' ' TRP . . . . . 0.613 ' CZ3' ' CE2' ' A' ' 27' ' ' TYR . 38.6 t90 -88.31 -34.53 17.63 Favored 'General case' 0 C--N 1.324 -0.521 0 N-CA-C 106.931 -1.507 . . . . 0.0 106.931 179.038 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 78' ' ' VAL . . . . . 0.743 HG11 ' CMA' ' A' ' 83' ' ' HEM . 0.8 OUTLIER -64.79 -53.78 37.83 Favored 'Isoleucine or valine' 0 CA--C 1.543 0.689 0 N-CA-C 106.246 -1.761 . . . . 0.0 106.246 176.964 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 79' ' ' LEU . . . . . 0.623 ' N ' HG12 ' A' ' 78' ' ' VAL . 9.4 tp -60.95 -64.38 0.97 Allowed 'General case' 0 N--CA 1.453 -0.311 0 CA-C-N 113.625 -1.625 . . . . 0.0 110.239 -178.624 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -107.41 117.0 32.95 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.393 1.058 . . . . 0.0 109.973 -179.782 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 81' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -51.27 -49.65 60.78 Favored 'General case' 0 C--N 1.327 -0.401 0 O-C-N 124.38 1.05 . . . . 0.0 110.146 -179.912 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 1.5 ptpp? . . . . . 0 C--N 1.326 -0.444 0 O-C-N 124.424 1.078 . . . . 0.0 109.187 179.527 . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 83' ' ' HEM . . . . . 0.933 HMB3 HD13 ' A' ' 48' ' ' ILE . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 . . . . . 0 N--CA 1.453 -0.305 0 N-CA-C 109.118 -0.697 . . . . 0.0 109.118 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 3' ' ' PRO . . . . . 0.52 ' HG2' ' CD1' ' A' ' 77' ' ' TRP . 16.6 Cg_endo -77.42 -14.72 16.12 Favored 'Trans proline' 0 C--N 1.359 1.101 0 O-C-N 124.571 1.827 . . . . 0.0 111.947 -179.354 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 4' ' ' GLU . . . . . 0.509 ' HB3' ' CZ2' ' A' ' 77' ' ' TRP . 9.2 pt-20 -80.8 -28.16 36.37 Favored 'General case' 0 C--N 1.323 -0.555 0 O-C-N 124.707 1.254 . . . . 0.0 108.925 179.026 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 43.0 t -83.63 -29.18 7.6 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.435 0 CA-C-N 114.284 -1.325 . . . . 0.0 108.194 178.662 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 11.0 mt -81.87 -27.7 33.35 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.73 1.269 . . . . 0.0 108.833 179.328 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 7' ' ' PHE . . . . . 0.712 ' CZ ' HG23 ' A' ' 13' ' ' VAL . 0.5 OUTLIER -69.65 -23.47 63.48 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.809 1.318 . . . . 0.0 110.283 179.54 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -105.03 0.43 27.62 Favored 'General case' 0 N--CA 1.45 -0.432 0 O-C-N 124.317 1.01 . . . . 0.0 111.689 -179.628 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -94.38 -8.79 37.74 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.22 0.95 . . . . 0.0 112.031 -178.619 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -109.41 -91.75 0.44 Allowed 'General case' 0 C--N 1.323 -0.58 0 O-C-N 124.234 0.959 . . . . 0.0 108.945 -179.835 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -169.75 26.81 0.11 Allowed Glycine 0 CA--C 1.528 0.85 0 O-C-N 124.481 1.113 . . . . 0.0 112.103 179.868 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 12' ' ' CYS . . . . . 0.602 ' HB2' ' CD1' ' A' ' 7' ' ' PHE . 11.4 m -66.9 -50.4 62.56 Favored 'General case' 0 N--CA 1.449 -0.509 0 N-CA-C 108.615 -0.883 . . . . 0.0 108.615 179.864 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 13' ' ' VAL . . . . . 0.712 HG23 ' CZ ' ' A' ' 7' ' ' PHE . 0.4 OUTLIER -62.43 -4.92 1.18 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.718 1.261 . . . . 0.0 113.823 -177.523 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -52.82 -28.74 24.03 Favored 'General case' 0 C--N 1.324 -0.535 0 O-C-N 125.501 1.75 . . . . 0.0 107.934 178.277 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 1.8 p -163.13 20.29 0.08 Allowed 'General case' 0 C--O 1.238 0.49 0 O-C-N 124.927 1.392 . . . . 0.0 112.594 -179.504 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 16' ' ' HIS . . . . . 0.618 ' CE1' ' HD2' ' A' ' 25' ' ' PRO . 3.7 m-70 -100.33 -69.0 0.79 Allowed 'General case' 0 N--CA 1.451 -0.41 0 N-CA-C 113.486 0.921 . . . . 0.0 113.486 -179.032 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 17' ' ' ALA . . . . . 0.847 ' C ' HD13 ' A' ' 18' ' ' ILE . . . 70.24 151.73 0.1 Allowed 'General case' 0 CA--C 1.539 0.527 0 N-CA-C 108.504 -0.924 . . . . 0.0 108.504 -177.702 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 18' ' ' ILE . . . . . 0.847 HD13 ' C ' ' A' ' 17' ' ' ALA . 2.6 mm -99.39 33.8 0.29 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 N-CA-C 107.121 -1.437 . . . . 0.0 107.121 -179.656 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 19' ' ' ASP . . . . . 0.403 ' HB3' ' NZ ' ' A' ' 28' ' ' LYS . 0.0 OUTLIER 174.51 9.83 0.0 OUTLIER 'General case' 0 C--O 1.243 0.755 0 N-CA-C 116.819 2.155 . . . . 0.0 116.819 178.976 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -142.22 163.64 32.31 Favored 'General case' 0 C--N 1.323 -0.572 0 CA-C-N 118.522 0.601 . . . . 0.0 111.304 178.945 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 21' ' ' LYS . . . . . 0.405 ' NZ ' ' HB3' ' A' ' 56' ' ' TRP . 23.5 tttt -113.19 149.6 33.46 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.517 1.136 . . . . 0.0 110.174 -179.525 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 22' ' ' MET . . . . . 0.5 ' CG ' HG23 ' A' ' 23' ' ' VAL . 0.8 OUTLIER -157.55 -85.2 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.484 0 CA-C-N 114.711 -1.131 . . . . 0.0 109.715 179.562 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 23' ' ' VAL . . . . . 0.5 HG23 ' CG ' ' A' ' 22' ' ' MET . 17.4 t -108.97 -50.61 7.05 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.513 0 N-CA-C 107.471 -1.307 . . . . 0.0 107.471 177.862 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -95.73 168.27 26.27 Favored Glycine 0 CA--C 1.536 1.344 0 N-CA-C 110.016 -1.234 . . . . 0.0 110.016 178.593 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 25' ' ' PRO . . . . . 0.618 ' HD2' ' CE1' ' A' ' 16' ' ' HIS . 73.8 Cg_endo -71.69 143.03 40.99 Favored 'Trans proline' 0 C--N 1.358 1.043 0 C-N-CA 122.156 1.904 . . . . 0.0 112.111 -179.23 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 26' ' ' ALA . . . . . 0.71 ' HB3' ' HB2' ' A' ' 29' ' ' ASP . . . -68.04 126.44 29.48 Favored 'General case' 0 CA--C 1.544 0.717 0 N-CA-C 105.276 -2.12 . . . . 0.0 105.276 175.2 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 27' ' ' TYR . . . . . 0.593 ' HB2' HD12 ' A' ' 18' ' ' ILE . 10.9 m-85 -58.3 -41.46 84.49 Favored 'General case' 0 C--N 1.321 -0.64 0 O-C-N 125.524 1.765 . . . . 0.0 109.333 -179.309 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 28' ' ' LYS . . . . . 0.403 ' NZ ' ' HB3' ' A' ' 19' ' ' ASP . 1.7 ttpm? -67.04 -30.06 70.03 Favored 'General case' 0 CA--C 1.536 0.438 0 O-C-N 125.292 1.62 . . . . 0.0 109.813 179.901 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 29' ' ' ASP . . . . . 0.71 ' HB2' ' HB3' ' A' ' 26' ' ' ALA . 11.7 m-20 -71.9 -32.63 67.6 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.817 1.323 . . . . 0.0 109.111 179.652 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 30' ' ' VAL . . . . . 0.446 HG11 ' HB ' ' A' ' 78' ' ' VAL . 3.8 t -64.01 -33.5 62.62 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.52 0 N-CA-C 107.151 -1.426 . . . . 0.0 107.151 178.713 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 31' ' ' ALA . . . . . 0.56 ' O ' ' HB2' ' A' ' 35' ' ' ALA . . . -72.29 -30.77 65.13 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 114.205 -1.361 . . . . 0.0 108.974 179.055 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -90.78 14.22 14.15 Favored 'General case' 0 C--N 1.328 -0.354 0 O-C-N 124.555 1.159 . . . . 0.0 111.386 -179.256 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 33' ' ' LYS . . . . . 0.553 ' HG3' ' CH2' ' A' ' 56' ' ' TRP . 0.1 OUTLIER -124.49 -78.8 0.6 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.466 1.104 . . . . 0.0 108.547 178.777 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 0.5 OUTLIER -49.17 -65.63 0.53 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.749 1.281 . . . . 0.0 109.503 178.745 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 35' ' ' ALA . . . . . 0.56 ' HB2' ' O ' ' A' ' 31' ' ' ALA . . . 37.18 86.98 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.508 0 N-CA-C 114.22 1.192 . . . . 0.0 114.22 177.688 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 86.7 37.04 8.87 Favored Glycine 0 CA--C 1.53 0.974 0 O-C-N 124.038 0.837 . . . . 0.0 111.416 178.891 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -135.09 79.98 1.82 Allowed 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.631 0.842 . . . . 0.0 110.052 179.964 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -111.54 90.45 3.34 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 114.835 -1.075 . . . . 0.0 109.679 -179.66 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . -135.37 10.99 4.38 Favored Glycine 0 CA--C 1.529 0.918 0 O-C-N 124.515 1.134 . . . . 0.0 111.809 179.587 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -131.2 -105.14 0.27 Allowed 'General case' 0 C--N 1.325 -0.466 0 N-CA-C 108.611 -0.885 . . . . 0.0 108.611 179.712 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 4.2 tt0 84.98 -35.57 0.05 Allowed 'General case' 0 C--N 1.323 -0.586 0 O-C-N 124.319 1.012 . . . . 0.0 111.247 -179.866 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -86.81 -44.96 11.33 Favored 'General case' 0 C--N 1.324 -0.539 0 O-C-N 124.397 1.061 . . . . 0.0 108.436 179.284 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 8.6 tt0 -87.05 -4.84 59.19 Favored 'General case' 0 CA--C 1.541 0.606 0 O-C-N 125.111 1.507 . . . . 0.0 110.96 179.053 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 44' ' ' LEU . . . . . 0.462 HD12 ' HG ' ' A' ' 79' ' ' LEU . 0.2 OUTLIER -87.97 -33.92 18.25 Favored 'General case' 0 C--N 1.322 -0.604 0 N-CA-C 106.368 -1.715 . . . . 0.0 106.368 176.856 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -78.88 -24.32 44.29 Favored 'General case' 0 CA--C 1.54 0.563 0 CA-C-N 114.101 -1.408 . . . . 0.0 107.308 176.346 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 46' ' ' GLN . . . . . . . . . . . . . 29.4 tp60 -71.41 -21.76 61.95 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 114.06 -1.427 . . . . 0.0 109.44 179.653 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 47' ' ' ARG . . . . . 0.464 ' CG ' ' HA ' ' A' ' 52' ' ' SER . 5.5 mpt_? -76.39 -35.37 58.65 Favored 'General case' 0 CA--C 1.539 0.531 0 O-C-N 125.209 1.568 . . . . 0.0 107.994 177.417 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 14.9 mt -70.82 -8.37 10.88 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.397 0 O-C-N 125.173 1.546 . . . . 0.0 110.283 178.701 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 1.3 tttt -129.83 3.05 4.9 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.293 0.996 . . . . 0.0 112.038 -178.946 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 50' ' ' ASN . . . . . 0.454 ' HA ' ' HB3' ' A' ' 63' ' ' PRO . 0.2 OUTLIER -144.98 7.47 1.2 Allowed 'General case' 0 N--CA 1.451 -0.409 0 O-C-N 124.157 0.911 . . . . 0.0 112.31 -179.225 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 80.27 152.0 7.64 Favored Glycine 0 CA--C 1.531 1.043 0 O-C-N 124.115 0.885 . . . . 0.0 111.311 179.536 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 52' ' ' SER . . . . . 0.464 ' HA ' ' CG ' ' A' ' 47' ' ' ARG . 0.3 OUTLIER -72.77 -165.56 0.22 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.536 0.786 . . . . 0.0 110.086 179.971 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 4.1 mm100 -114.4 -30.97 6.4 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.583 1.177 . . . . 0.0 110.507 -179.778 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 118.47 97.05 1.8 Allowed Glycine 0 CA--C 1.531 1.05 0 O-C-N 124.39 1.056 . . . . 0.0 110.887 -179.916 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 18.0 t -128.22 -43.32 0.91 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.5 0.764 . . . . 0.0 109.96 -179.816 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 56' ' ' TRP . . . . . 0.553 ' CH2' ' HG3' ' A' ' 33' ' ' LYS . 0.0 OUTLIER -110.41 -30.92 7.47 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.452 1.095 . . . . 0.0 108.215 179.932 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -138.93 143.55 14.25 Favored Glycine 0 CA--C 1.53 0.988 0 O-C-N 124.483 1.115 . . . . 0.0 110.962 -179.934 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 58' ' ' PRO . . . . . . . . . . . . . 44.1 Cg_endo -83.08 15.06 2.18 Favored 'Trans proline' 0 C--N 1.36 1.148 0 O-C-N 124.333 1.702 . . . . 0.0 112.555 -179.508 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 59' ' ' ILE . . . . . . . . . . . . . 0.5 OUTLIER -119.05 95.84 49.67 Favored Pre-proline 0 C--N 1.325 -0.474 0 O-C-N 124.288 0.993 . . . . 0.0 109.782 -179.704 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 60' ' ' PRO . . . . . . . . . . . . . 1.6 Cg_endo -52.93 148.51 29.31 Favored 'Trans proline' 0 C--N 1.363 1.307 0 O-C-N 124.487 1.783 . . . . 0.0 110.713 179.396 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 61' ' ' MET . . . . . . . . . . . . . 0.9 OUTLIER -78.01 140.19 61.92 Favored Pre-proline 0 C--N 1.325 -0.471 0 O-C-N 124.682 1.239 . . . . 0.0 112.041 -179.319 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 62' ' ' PRO . . . . . . . . . . . . . 34.5 Cg_exo -41.33 109.51 0.11 Allowed 'Trans proline' 0 C--N 1.362 1.276 0 O-C-N 124.603 1.844 . . . . 0.0 112.386 -178.757 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 63' ' ' PRO . . . . . 0.454 ' HB3' ' HA ' ' A' ' 50' ' ' ASN . 1.7 Cg_endo -68.18 154.48 72.25 Favored 'Trans proline' 0 C--N 1.362 1.254 0 O-C-N 124.367 1.72 . . . . 0.0 110.707 179.611 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 7.5 m120 72.35 134.91 0.04 OUTLIER 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.639 1.212 . . . . 0.0 109.494 -179.949 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -170.27 -42.54 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.472 0 CA-C-N 114.901 -1.045 . . . . 0.0 109.058 -179.985 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 66' ' ' VAL . . . . . 0.522 HG23 ' N ' ' A' ' 67' ' ' SER . 15.6 m -141.01 -146.73 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.423 0 O-C-N 124.457 1.098 . . . . 0.0 108.897 179.722 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 67' ' ' SER . . . . . 0.522 ' N ' HG23 ' A' ' 66' ' ' VAL . 30.8 t -98.84 -92.44 0.26 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.485 1.116 . . . . 0.0 110.004 -179.995 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 3.3 t0 -172.25 34.46 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.406 1.066 . . . . 0.0 109.253 179.984 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 21.7 t0 -130.77 -56.93 1.05 Allowed 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.524 1.14 . . . . 0.0 108.531 179.395 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 3.3 mm-40 -60.37 -23.38 64.25 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.767 1.292 . . . . 0.0 109.43 178.87 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -84.99 -42.13 15.19 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.652 1.22 . . . . 0.0 108.66 179.247 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 33.3 tt0 -50.81 -30.17 13.57 Favored 'General case' 0 C--N 1.326 -0.414 0 O-C-N 124.652 1.22 . . . . 0.0 110.654 179.902 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 2.9 m -72.83 -51.15 19.98 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.448 1.092 . . . . 0.0 110.502 179.997 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -74.16 -2.47 24.81 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.451 1.095 . . . . 0.0 110.558 179.651 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -90.32 -23.36 21.16 Favored 'General case' 0 C--N 1.324 -0.533 0 O-C-N 124.201 0.938 . . . . 0.0 110.34 -179.213 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 5.4 tptt -95.28 -17.77 21.39 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.201 0.938 . . . . 0.0 109.191 179.856 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 77' ' ' TRP . . . . . 0.52 ' CD1' ' HG2' ' A' ' 3' ' ' PRO . 28.2 t90 -72.14 -39.8 68.53 Favored 'General case' 0 C--N 1.324 -0.525 0 N-CA-C 107.161 -1.422 . . . . 0.0 107.161 179.017 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 78' ' ' VAL . . . . . 0.569 HG13 ' CE2' ' A' ' 27' ' ' TYR . 0.0 OUTLIER -59.76 -63.05 0.8 Allowed 'Isoleucine or valine' 0 CA--C 1.548 0.891 0 O-C-N 125.058 1.474 . . . . 0.0 107.228 178.929 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 79' ' ' LEU . . . . . 0.462 ' HG ' HD12 ' A' ' 44' ' ' LEU . 0.6 OUTLIER -56.08 -26.48 49.69 Favored 'General case' 0 N--CA 1.45 -0.445 0 CA-C-N 114.511 -1.222 . . . . 0.0 111.361 -179.505 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 5.0 m -118.56 62.05 0.78 Allowed 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.779 1.299 . . . . 0.0 111.486 -178.781 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 81' ' ' GLN . . . . . 0.499 ' CB ' ' HB2' ' A' ' 31' ' ' ALA . 0.0 OUTLIER -107.45 152.24 24.47 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.551 1.157 . . . . 0.0 109.266 178.693 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 C--N 1.325 -0.496 0 O-C-N 124.504 1.128 . . . . 0.0 109.333 -179.65 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 2' ' ' ASP . . . . . 0.475 ' N ' ' HD3' ' A' ' 3' ' ' PRO . 7.3 m-20 . . . . . 0 N--CA 1.455 -0.222 0 N-CA-C 108.953 -0.758 . . . . 0.0 108.953 . . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 3' ' ' PRO . . . . . 0.527 ' HB2' ' CG ' ' A' ' 77' ' ' TRP . 42.0 Cg_endo -82.81 -21.85 4.68 Favored 'Trans proline' 0 C--N 1.359 1.088 0 O-C-N 124.435 1.755 . . . . 0.0 110.007 -179.996 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 2.2 mt-10 -82.42 -24.15 34.51 Favored 'General case' 0 C--N 1.324 -0.538 0 O-C-N 124.831 1.332 . . . . 0.0 109.091 178.243 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 5' ' ' VAL . . . . . 0.458 ' HB ' ' HB3' ' A' ' 2' ' ' ASP . 2.2 t -85.12 -28.83 6.49 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.356 0 O-C-N 124.758 1.286 . . . . 0.0 108.39 178.798 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 6' ' ' LEU . . . . . 0.642 ' HB3' HD11 ' A' ' 74' ' ' LEU . 0.7 OUTLIER -81.84 -31.02 31.85 Favored 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.718 1.261 . . . . 0.0 108.339 178.912 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 7' ' ' PHE . . . . . 0.776 ' CZ ' HG23 ' A' ' 13' ' ' VAL . 11.1 t80 -66.34 -24.72 66.57 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.821 1.326 . . . . 0.0 111.484 -179.94 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -98.69 -9.08 25.14 Favored 'General case' 0 C--N 1.326 -0.429 0 O-C-N 124.568 1.168 . . . . 0.0 111.694 -178.881 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 25.3 t-20 -88.93 -63.79 1.24 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.114 0.883 . . . . 0.0 111.509 -178.905 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 2.5 mmpp? -47.32 -36.15 8.99 Favored 'General case' 0 C--N 1.326 -0.421 0 O-C-N 124.117 0.886 . . . . 0.0 111.702 -178.613 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 115.19 26.15 3.58 Favored Glycine 0 CA--C 1.53 0.974 0 O-C-N 124.344 1.028 . . . . 0.0 111.127 -179.853 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 12' ' ' CYS . . . . . 0.6 ' HB2' ' CD1' ' A' ' 7' ' ' PHE . 1.8 m -68.39 -48.56 64.37 Favored 'General case' 0 N--CA 1.447 -0.595 0 N-CA-C 108.255 -1.017 . . . . 0.0 108.255 179.965 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 13' ' ' VAL . . . . . 0.776 HG23 ' CZ ' ' A' ' 7' ' ' PHE . 0.3 OUTLIER -63.85 -6.22 2.36 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.983 1.427 . . . . 0.0 113.284 -177.687 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -52.76 -28.56 22.79 Favored 'General case' 0 CA--C 1.539 0.538 0 O-C-N 125.772 1.92 . . . . 0.0 108.031 179.295 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 5.9 p -157.44 17.71 0.27 Allowed 'General case' 0 N--CA 1.45 -0.448 0 O-C-N 124.904 1.377 . . . . 0.0 111.864 -179.328 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 16' ' ' HIS . . . . . 0.586 ' CE1' ' HD2' ' A' ' 25' ' ' PRO . 3.6 m-70 -99.61 -172.62 2.28 Favored 'General case' 0 CA--C 1.54 0.565 0 O-C-N 123.804 0.69 . . . . 0.0 110.699 -179.97 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 17' ' ' ALA . . . . . 0.722 ' HB1' HG23 ' A' ' 20' ' ' THR . . . 179.09 156.23 0.49 Allowed 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 113.973 -1.467 . . . . 0.0 108.903 178.813 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 18' ' ' ILE . . . . . 0.594 HD12 ' N ' ' A' ' 19' ' ' ASP . 0.6 OUTLIER -95.28 -57.56 4.32 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.38 0 O-C-N 124.33 1.019 . . . . 0.0 111.789 -178.872 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 19' ' ' ASP . . . . . 0.594 ' N ' HD12 ' A' ' 18' ' ' ILE . 3.3 p-10 -100.49 5.52 44.14 Favored 'General case' 0 N--CA 1.45 -0.446 0 CA-C-N 115.463 -0.789 . . . . 0.0 113.053 -177.909 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 20' ' ' THR . . . . . 0.722 HG23 ' HB1' ' A' ' 17' ' ' ALA . 0.2 OUTLIER -124.8 165.27 18.31 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.212 0.945 . . . . 0.0 110.435 179.63 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 2.2 ttmt -98.62 159.99 14.58 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.691 1.244 . . . . 0.0 110.12 -179.399 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 22' ' ' MET . . . . . . . . . . . . . 1.1 tpt -177.56 -145.93 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.468 0 CA-C-N 114.939 -1.028 . . . . 0.0 110.308 -179.899 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 3.1 t -68.67 -39.62 80.58 Favored 'Isoleucine or valine' 0 CA--C 1.541 0.612 0 N-CA-C 106.201 -1.778 . . . . 0.0 106.201 177.44 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -86.83 -178.16 49.17 Favored Glycine 0 CA--C 1.532 1.129 0 CA-C-N 113.789 -1.551 . . . . 0.0 110.266 178.668 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 25' ' ' PRO . . . . . 0.586 ' HD2' ' CE1' ' A' ' 16' ' ' HIS . 93.3 Cg_endo -102.16 139.65 0.17 Allowed 'Trans proline' 0 C--N 1.353 0.773 0 C-N-CA 122.798 2.332 . . . . 0.0 110.752 -178.26 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -57.82 114.39 2.28 Favored 'General case' 0 C--N 1.324 -0.542 0 N-CA-C 106.489 -1.671 . . . . 0.0 106.489 177.54 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 27' ' ' TYR . . . . . 0.891 ' CE2' HG13 ' A' ' 78' ' ' VAL . 3.8 m-85 -58.03 -21.98 47.79 Favored 'General case' 0 C--N 1.324 -0.535 0 O-C-N 124.797 1.311 . . . . 0.0 112.042 -177.705 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -74.53 -43.0 57.89 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.644 1.215 . . . . 0.0 108.859 179.585 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 12.7 m-20 -66.98 -34.05 76.91 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.882 1.364 . . . . 0.0 109.5 179.812 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 30' ' ' VAL . . . . . 0.487 HG11 HG12 ' A' ' 78' ' ' VAL . 2.6 t -71.9 -31.45 40.88 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 N-CA-C 107.704 -1.221 . . . . 0.0 107.704 178.647 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -95.03 12.13 29.59 Favored 'General case' 0 C--N 1.328 -0.344 0 O-C-N 125.036 1.46 . . . . 0.0 110.31 179.831 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -124.56 5.31 8.26 Favored 'General case' 0 CA--C 1.54 0.578 0 O-C-N 123.949 0.781 . . . . 0.0 109.947 178.2 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 4.8 mmtm -122.4 -50.86 1.98 Allowed 'General case' 0 C--N 1.323 -0.579 0 N-CA-C 107.173 -1.417 . . . . 0.0 107.173 177.773 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 13.7 m-85 -93.91 -33.11 13.62 Favored 'General case' 0 CA--C 1.54 0.589 0 CA-C-N 114.343 -1.299 . . . . 0.0 108.85 177.174 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . 50.0 -157.84 0.09 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 125.203 1.565 . . . . 0.0 109.456 179.114 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . -88.21 39.98 3.1 Favored Glycine 0 CA--C 1.531 1.038 0 O-C-N 124.508 1.13 . . . . 0.0 110.859 179.665 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 1.5 mm-40 -66.25 -27.03 67.64 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.345 0.673 . . . . 0.0 109.408 179.332 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . 58.22 -179.84 0.07 Allowed 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 114.678 -1.146 . . . . 0.0 110.103 179.252 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 86.29 -23.03 10.4 Favored Glycine 0 CA--C 1.529 0.938 0 CA-C-N 114.718 -1.128 . . . . 0.0 111.971 -179.891 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -117.81 49.25 1.26 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.23 0.606 . . . . 0.0 109.649 -179.807 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 2.8 pt-20 -115.32 21.53 14.03 Favored 'General case' 0 C--N 1.324 -0.537 0 O-C-N 124.594 1.184 . . . . 0.0 109.927 179.2 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -101.59 -66.17 0.93 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.702 1.251 . . . . 0.0 109.111 -179.996 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -75.41 -1.56 24.49 Favored 'General case' 0 CA--C 1.54 0.577 0 O-C-N 124.647 1.217 . . . . 0.0 110.775 178.647 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -87.16 -34.9 18.89 Favored 'General case' 0 C--N 1.323 -0.565 0 N-CA-C 106.895 -1.52 . . . . 0.0 106.895 176.811 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 45' ' ' ALA . . . . . 0.465 ' HA ' ' HB2' ' A' ' 75' ' ' ALA . . . -74.5 -24.58 59.01 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 125.137 1.523 . . . . 0.0 109.175 178.526 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 46' ' ' GLN . . . . . . . . . . . . . 3.6 mt-30 -81.15 -18.24 47.03 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.815 1.322 . . . . 0.0 109.982 -179.932 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 47' ' ' ARG . . . . . 0.429 ' HG2' ' HB2' ' A' ' 52' ' ' SER . 79.6 mtt180 -75.35 -32.07 60.76 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 125.074 1.484 . . . . 0.0 108.371 177.762 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 21.3 mt -76.76 -16.3 14.79 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.388 0 O-C-N 125.002 1.439 . . . . 0.0 109.925 178.711 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 49' ' ' LYS . . . . . 0.612 ' HG3' HG23 ' A' ' 66' ' ' VAL . 0.1 OUTLIER -114.52 -0.76 13.61 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.242 0.963 . . . . 0.0 112.809 -177.839 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 78.8 m-20 -134.91 -9.63 2.34 Favored 'General case' 0 N--CA 1.448 -0.542 0 O-C-N 124.379 1.05 . . . . 0.0 113.405 -179.192 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 74.72 126.86 0.17 Allowed Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.099 0.874 . . . . 0.0 110.98 179.933 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 52' ' ' SER . . . . . 0.429 ' HB2' ' HG2' ' A' ' 47' ' ' ARG . 14.1 t -112.12 166.97 10.78 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.355 0.679 . . . . 0.0 109.692 179.679 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -170.61 106.26 0.29 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.49 1.119 . . . . 0.0 110.465 -179.744 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 133.36 43.35 0.15 Allowed Glycine 0 CA--C 1.53 0.976 0 O-C-N 124.408 1.067 . . . . 0.0 111.165 179.871 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 55' ' ' VAL . . . . . 0.542 HG12 ' CD1' ' A' ' 56' ' ' TRP . 22.0 t -131.39 -65.19 0.62 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.463 0.743 . . . . 0.0 109.128 179.98 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 56' ' ' TRP . . . . . 0.542 ' CD1' HG12 ' A' ' 55' ' ' VAL . 2.2 m95 -110.44 -43.05 3.95 Favored 'General case' 0 C--N 1.325 -0.46 0 N-CA-C 107.757 -1.201 . . . . 0.0 107.757 179.243 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -159.43 167.22 35.03 Favored Glycine 0 CA--C 1.531 1.055 0 O-C-N 124.666 1.228 . . . . 0.0 110.974 -179.9 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 58' ' ' PRO . . . . . . . . . . . . . 1.1 Cg_endo -68.21 -155.89 0.04 OUTLIER 'Trans proline' 0 C--N 1.36 1.159 0 O-C-N 124.495 1.787 . . . . 0.0 110.753 179.433 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 59' ' ' ILE . . . . . . . . . . . . . 0.5 OUTLIER 73.81 111.6 0.03 OUTLIER Pre-proline 0 C--N 1.325 -0.496 0 O-C-N 124.537 1.148 . . . . 0.0 109.267 179.92 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 60' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -76.83 122.98 6.58 Favored 'Trans proline' 0 C--N 1.36 1.178 0 O-C-N 124.425 1.75 . . . . 0.0 111.116 179.816 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 61' ' ' MET . . . . . 0.425 ' HG3' ' HD2' ' A' ' 62' ' ' PRO . 3.9 ttp -67.1 141.44 96.42 Favored Pre-proline 0 C--N 1.325 -0.478 0 O-C-N 124.484 1.115 . . . . 0.0 110.821 -179.97 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 62' ' ' PRO . . . . . 0.425 ' HD2' ' HG3' ' A' ' 61' ' ' MET . 21.5 Cg_exo -47.33 107.32 0.12 Allowed 'Trans proline' 0 C--N 1.362 1.253 0 O-C-N 124.492 1.785 . . . . 0.0 111.58 -179.223 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 63' ' ' PRO . . . . . . . . . . . . . 14.8 Cg_endo -69.02 99.07 0.65 Allowed 'Trans proline' 0 C--N 1.361 1.187 0 O-C-N 124.408 1.741 . . . . 0.0 110.446 179.35 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER -65.26 -167.4 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.458 1.099 . . . . 0.0 109.677 -179.512 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -155.08 94.28 1.62 Allowed 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.426 1.079 . . . . 0.0 109.164 -179.992 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 66' ' ' VAL . . . . . 0.612 HG23 ' HG3' ' A' ' 49' ' ' LYS . 0.6 OUTLIER -121.8 -143.22 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.323 -0.556 0 O-C-N 124.461 1.101 . . . . 0.0 109.147 -179.951 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 5.1 m -163.93 41.2 0.09 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.4 1.063 . . . . 0.0 110.189 -179.881 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 9.6 t70 70.17 148.38 0.07 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.468 1.105 . . . . 0.0 109.547 179.847 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 69' ' ' ASP . . . . . 0.426 ' O ' ' CB ' ' A' ' 70' ' ' GLU . 8.0 t0 69.77 88.05 0.11 Allowed 'General case' 0 CA--C 1.54 0.568 0 N-CA-C 107.817 -1.179 . . . . 0.0 107.817 -178.964 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 70' ' ' GLU . . . . . 0.426 ' CB ' ' O ' ' A' ' 69' ' ' ASP . 11.3 mm-40 140.37 -37.71 0.01 OUTLIER 'General case' 0 CA--C 1.559 1.317 0 N-CA-C 105.78 -1.933 . . . . 0.0 105.78 -177.811 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -97.47 -25.02 15.33 Favored 'General case' 0 CA--C 1.538 0.513 0 CA-C-N 112.609 -2.087 . . . . 0.0 107.137 175.966 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 11.2 tt0 -67.96 -36.95 80.94 Favored 'General case' 0 C--N 1.327 -0.382 0 O-C-N 125.029 1.456 . . . . 0.0 109.904 179.322 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -71.61 -45.1 63.11 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.45 1.094 . . . . 0.0 110.114 179.813 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 74' ' ' LEU . . . . . 0.642 HD11 ' HB3' ' A' ' 6' ' ' LEU . 0.4 OUTLIER -59.24 -41.37 88.58 Favored 'General case' 0 C--N 1.326 -0.421 0 O-C-N 124.554 1.159 . . . . 0.0 110.355 -179.547 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 75' ' ' ALA . . . . . 0.465 ' HB2' ' HA ' ' A' ' 45' ' ' ALA . . . -66.86 -31.71 72.5 Favored 'General case' 0 N--CA 1.45 -0.449 0 O-C-N 124.304 1.003 . . . . 0.0 111.22 -179.047 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -76.6 -21.24 55.83 Favored 'General case' 0 C--N 1.323 -0.548 0 CA-C-N 115.055 -0.975 . . . . 0.0 109.381 -179.349 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 77' ' ' TRP . . . . . 0.635 ' CE3' ' CE2' ' A' ' 27' ' ' TYR . 36.3 t90 -79.47 -25.85 41.8 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.461 1.101 . . . . 0.0 108.967 -179.799 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 78' ' ' VAL . . . . . 0.891 HG13 ' CE2' ' A' ' 27' ' ' TYR . 0.0 OUTLIER -77.1 -52.33 16.91 Favored 'Isoleucine or valine' 0 CA--C 1.551 0.991 0 N-CA-C 106.394 -1.706 . . . . 0.0 106.394 177.802 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -50.67 -71.44 0.06 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 125.082 1.489 . . . . 0.0 108.887 179.17 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 2.1 p -96.42 133.62 40.61 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.811 1.32 . . . . 0.0 110.121 -179.885 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 81' ' ' GLN . . . . . . . . . . . . . 1.2 pp0? -92.13 -177.71 4.76 Favored 'General case' 0 C--N 1.327 -0.389 0 O-C-N 124.419 1.074 . . . . 0.0 110.21 179.994 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 22.7 tttt . . . . . 0 C--N 1.324 -0.51 0 O-C-N 124.54 1.15 . . . . 0.0 109.21 179.791 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 11.2 m-20 . . . . . 0 N--CA 1.453 -0.315 0 N-CA-C 109.086 -0.709 . . . . 0.0 109.086 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 3' ' ' PRO . . . . . 0.527 ' HB2' ' CG ' ' A' ' 77' ' ' TRP . 20.2 Cg_endo -72.09 -12.89 28.45 Favored 'Trans proline' 0 C--N 1.36 1.172 0 O-C-N 124.562 1.822 . . . . 0.0 111.18 179.692 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 4' ' ' GLU . . . . . 0.532 ' HG2' ' CZ2' ' A' ' 77' ' ' TRP . 13.8 mt-10 -81.63 -27.38 34.17 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.608 1.192 . . . . 0.0 108.967 179.298 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 75.1 t -85.93 -23.37 7.03 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.537 0 O-C-N 124.925 1.39 . . . . 0.0 108.371 178.185 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 6' ' ' LEU . . . . . 0.604 ' HB3' HD21 ' A' ' 74' ' ' LEU . 0.3 OUTLIER -80.43 -40.59 26.05 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.542 1.151 . . . . 0.0 110.226 -179.775 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 7' ' ' PHE . . . . . 0.796 ' CZ ' HG23 ' A' ' 13' ' ' VAL . 4.6 t80 -72.36 -21.84 61.24 Favored 'General case' 0 C--N 1.327 -0.386 0 O-C-N 124.533 1.146 . . . . 0.0 111.635 -179.527 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 6.3 tptt -95.7 -7.73 36.56 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.681 1.238 . . . . 0.0 110.464 -179.614 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 11.7 t-20 -45.75 -74.69 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.066 0.854 . . . . 0.0 110.416 179.979 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 174.35 80.37 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.573 1.171 . . . . 0.0 109.635 179.874 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 174.15 -64.95 0.11 Allowed Glycine 0 CA--C 1.527 0.815 0 O-C-N 124.658 1.224 . . . . 0.0 113.052 179.731 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 12' ' ' CYS . . . . . 0.555 ' CB ' ' CD1' ' A' ' 7' ' ' PHE . 59.9 m -59.61 -60.41 3.88 Favored 'General case' 0 N--CA 1.449 -0.483 0 O-C-N 124.061 0.506 . . . . 0.0 110.813 -178.498 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 13' ' ' VAL . . . . . 0.796 HG23 ' CZ ' ' A' ' 7' ' ' PHE . 0.3 OUTLIER -63.97 -4.39 1.49 Allowed 'Isoleucine or valine' 0 CA--C 1.537 0.45 0 N-CA-C 113.793 1.034 . . . . 0.0 113.793 -177.178 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -53.58 -24.79 14.76 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 125.898 1.999 . . . . 0.0 108.54 179.447 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 1.6 p -165.35 21.55 0.05 OUTLIER 'General case' 0 C--O 1.238 0.493 0 O-C-N 125.089 1.493 . . . . 0.0 113.21 -179.328 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 16' ' ' HIS . . . . . 0.574 ' CE1' ' HD2' ' A' ' 25' ' ' PRO . 2.0 m-70 -97.44 -74.34 0.58 Allowed 'General case' 0 C--N 1.326 -0.419 0 N-CA-C 115.544 1.683 . . . . 0.0 115.544 -178.028 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 17' ' ' ALA . . . . . 0.589 ' HB1' HG23 ' A' ' 20' ' ' THR . . . 72.0 158.11 0.19 Allowed 'General case' 0 CA--C 1.541 0.6 0 N-CA-C 107.156 -1.424 . . . . 0.0 107.156 -175.601 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 18' ' ' ILE . . . . . 0.613 HD12 ' N ' ' A' ' 19' ' ' ASP . 1.1 pp -101.9 -53.25 7.69 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 O-C-N 124.273 0.983 . . . . 0.0 113.378 -177.963 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 19' ' ' ASP . . . . . 0.613 ' N ' HD12 ' A' ' 18' ' ' ILE . 0.1 OUTLIER -93.54 11.75 27.59 Favored 'General case' 0 N--CA 1.452 -0.348 0 CA-C-N 115.412 -0.813 . . . . 0.0 111.49 -178.548 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 20' ' ' THR . . . . . 0.589 HG23 ' HB1' ' A' ' 17' ' ' ALA . 0.1 OUTLIER -136.32 161.9 34.5 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.427 1.079 . . . . 0.0 110.052 179.028 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -130.1 128.67 42.34 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.75 1.281 . . . . 0.0 109.585 -179.539 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 22' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -130.21 -88.94 0.49 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.338 1.024 . . . . 0.0 110.122 179.545 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 1.5 t -96.52 -39.3 9.11 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 N-CA-C 107.713 -1.217 . . . . 0.0 107.713 178.251 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -105.09 168.13 15.5 Favored Glycine 0 CA--C 1.532 1.152 0 O-C-N 124.897 1.373 . . . . 0.0 111.065 179.919 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 25' ' ' PRO . . . . . 0.574 ' HD2' ' CE1' ' A' ' 16' ' ' HIS . 41.6 Cg_endo -67.84 156.07 67.39 Favored 'Trans proline' 0 N--CA 1.448 -1.159 0 C-N-CA 122.151 1.901 . . . . 0.0 112.081 -179.246 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -82.15 127.86 33.57 Favored 'General case' 0 C--N 1.324 -0.51 0 N-CA-C 106.59 -1.633 . . . . 0.0 106.59 176.867 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 27' ' ' TYR . . . . . 0.613 ' CE2' ' CZ3' ' A' ' 77' ' ' TRP . 8.6 m-85 -56.38 -32.16 64.5 Favored 'General case' 0 C--N 1.323 -0.565 0 O-C-N 124.911 1.382 . . . . 0.0 111.059 -178.373 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -69.34 -39.67 78.0 Favored 'General case' 0 CA--C 1.535 0.386 0 O-C-N 124.576 1.172 . . . . 0.0 109.521 179.773 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 29' ' ' ASP . . . . . 0.465 ' HB3' ' CH2' ' A' ' 56' ' ' TRP . 5.6 m-20 -64.23 -34.42 78.06 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.638 1.211 . . . . 0.0 109.214 179.74 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 30' ' ' VAL . . . . . 0.573 HG11 HG13 ' A' ' 78' ' ' VAL . 53.2 t -70.0 -35.09 62.63 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.363 0 CA-C-N 114.287 -1.324 . . . . 0.0 107.658 178.866 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -94.04 20.9 7.31 Favored 'General case' 0 CA--C 1.537 0.443 0 O-C-N 124.545 1.153 . . . . 0.0 108.893 177.767 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -120.44 -1.11 10.21 Favored 'General case' 0 CA--C 1.548 0.894 0 CA-C-N 114.59 -1.186 . . . . 0.0 108.665 176.863 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 33' ' ' LYS . . . . . 0.563 ' HB3' ' CD1' ' A' ' 34' ' ' PHE . 0.0 OUTLIER -122.45 -61.34 1.47 Allowed 'General case' 0 C--N 1.323 -0.55 0 O-C-N 124.824 1.327 . . . . 0.0 109.444 178.848 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 34' ' ' PHE . . . . . 0.696 ' HB2' HD21 ' A' ' 79' ' ' LEU . 0.0 OUTLIER -105.37 30.41 5.68 Favored 'General case' 0 N--CA 1.444 -0.767 0 N-CA-C 114.424 1.268 . . . . 0.0 114.424 -179.72 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -73.05 -10.05 59.39 Favored 'General case' 0 CA--C 1.569 1.679 0 O-C-N 125.262 1.601 . . . . 0.0 107.525 173.401 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 36' ' ' GLY . . . . . 0.492 ' C ' ' HG3' ' A' ' 37' ' ' GLN . . . -94.06 -39.81 4.75 Favored Glycine 0 CA--C 1.551 2.308 0 N-CA-C 105.511 -3.036 . . . . 0.0 105.511 171.561 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 37' ' ' GLN . . . . . 0.492 ' HG3' ' C ' ' A' ' 36' ' ' GLY . 2.3 mt-30 81.19 -164.67 0.02 OUTLIER 'General case' 0 N--CA 1.444 -0.729 0 N-CA-C 117.04 2.237 . . . . 0.0 117.04 173.761 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 38' ' ' ALA . . . . . 0.447 ' HB3' ' O ' ' A' ' 37' ' ' GLN . . . 78.56 104.13 0.07 Allowed 'General case' 0 CA--C 1.541 0.603 0 N-CA-C 107.04 -1.467 . . . . 0.0 107.04 -177.095 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 162.92 -27.49 0.24 Allowed Glycine 0 CA--C 1.534 1.226 0 O-C-N 124.61 1.194 . . . . 0.0 110.132 -178.897 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -173.3 -91.71 0.01 OUTLIER 'General case' 0 N--CA 1.452 -0.373 0 O-C-N 125.297 1.234 . . . . 0.0 113.401 179.424 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 1.3 tt0 50.92 25.1 2.05 Favored 'General case' 0 CA--C 1.541 0.609 0 CA-C-O 121.708 0.766 . . . . 0.0 109.349 -177.321 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -141.79 -53.82 0.44 Allowed 'General case' 0 CA--C 1.544 0.74 0 N-CA-C 105.278 -2.119 . . . . 0.0 105.278 177.576 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 43' ' ' GLU . . . . . 0.423 ' HA ' ' HB2' ' A' ' 46' ' ' GLN . 1.7 pt-20 -85.33 3.93 37.47 Favored 'General case' 0 CA--C 1.54 0.575 0 O-C-N 125.764 1.915 . . . . 0.0 109.596 174.984 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -88.4 -38.28 15.2 Favored 'General case' 0 CA--C 1.543 0.685 0 N-CA-C 106.018 -1.845 . . . . 0.0 106.018 176.236 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -71.29 -26.29 62.8 Favored 'General case' 0 C--N 1.327 -0.412 0 O-C-N 125.377 1.673 . . . . 0.0 108.247 177.605 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 46' ' ' GLN . . . . . 0.423 ' HB2' ' HA ' ' A' ' 43' ' ' GLU . 1.4 mt-30 -79.99 -18.19 50.93 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 114.502 -1.226 . . . . 0.0 110.485 -179.936 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 47' ' ' ARG . . . . . 0.443 ' HG3' ' HA ' ' A' ' 52' ' ' SER . 0.3 OUTLIER -76.03 -32.98 59.62 Favored 'General case' 0 CA--C 1.542 0.654 0 O-C-N 125.077 1.486 . . . . 0.0 107.683 177.27 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 2.0 mt -63.21 -29.1 46.39 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.441 0 O-C-N 125.162 1.538 . . . . 0.0 109.115 178.82 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 2.9 ttpm? -114.92 6.44 15.37 Favored 'General case' 0 N--CA 1.45 -0.458 0 O-C-N 124.442 1.089 . . . . 0.0 113.434 -177.745 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 2.0 t-20 -148.41 13.48 0.96 Allowed 'General case' 0 N--CA 1.452 -0.345 0 O-C-N 123.957 0.786 . . . . 0.0 112.404 -179.231 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 70.34 146.32 0.32 Allowed Glycine 0 CA--C 1.531 1.043 0 O-C-N 124.227 0.955 . . . . 0.0 111.064 179.767 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 52' ' ' SER . . . . . 0.443 ' HA ' ' HG3' ' A' ' 47' ' ' ARG . 0.2 OUTLIER -72.51 -19.44 61.53 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.475 0.75 . . . . 0.0 111.295 -179.609 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER 79.47 -8.13 1.63 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.373 1.045 . . . . 0.0 112.198 179.943 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 117.75 96.7 1.86 Allowed Glycine 0 CA--C 1.529 0.962 0 O-C-N 124.14 0.9 . . . . 0.0 111.474 179.75 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 55' ' ' VAL . . . . . 0.587 HG12 ' CD1' ' A' ' 56' ' ' TRP . 11.7 t -122.61 -50.47 2.73 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.395 0.703 . . . . 0.0 109.162 179.683 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 56' ' ' TRP . . . . . 0.587 ' CD1' HG12 ' A' ' 55' ' ' VAL . 1.4 m95 -102.04 -54.59 2.67 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.571 1.17 . . . . 0.0 107.979 179.81 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -122.48 167.33 14.92 Favored Glycine 0 CA--C 1.53 1.028 0 O-C-N 124.565 1.166 . . . . 0.0 110.894 -179.826 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 58' ' ' PRO . . . . . . . . . . . . . 37.1 Cg_endo -85.28 24.04 0.79 Allowed 'Trans proline' 0 C--N 1.358 1.042 0 O-C-N 124.375 1.723 . . . . 0.0 112.454 179.832 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 59' ' ' ILE . . . . . . . . . . . . . 1.3 tt -110.58 87.55 6.67 Favored Pre-proline 0 C--N 1.326 -0.436 0 O-C-N 124.227 0.955 . . . . 0.0 109.202 179.925 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 60' ' ' PRO . . . . . . . . . . . . . 2.7 Cg_endo -49.28 136.68 31.32 Favored 'Trans proline' 0 C--N 1.36 1.172 0 O-C-N 124.526 1.803 . . . . 0.0 110.848 -179.47 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 61' ' ' MET . . . . . . . . . . . . . 5.8 ttp -74.34 125.73 89.62 Favored Pre-proline 0 C--N 1.325 -0.489 0 O-C-N 124.6 1.187 . . . . 0.0 110.64 179.862 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 62' ' ' PRO . . . . . . . . . . . . . 24.0 Cg_exo -47.7 121.23 5.43 Favored 'Trans proline' 0 C--N 1.36 1.178 0 O-C-N 124.514 1.797 . . . . 0.0 110.967 -179.214 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 63' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -70.52 159.03 54.21 Favored 'Trans proline' 0 C--N 1.36 1.176 0 O-C-N 124.239 1.652 . . . . 0.0 110.855 179.625 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER 70.64 110.76 0.06 Allowed 'General case' 0 C--N 1.324 -0.534 0 O-C-N 124.725 1.266 . . . . 0.0 109.418 -179.904 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -146.69 -47.67 0.19 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.449 1.093 . . . . 0.0 109.095 179.849 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 0.1 OUTLIER -149.26 154.0 10.1 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.425 0 O-C-N 124.468 1.105 . . . . 0.0 109.165 179.892 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 22.7 m -71.19 174.27 6.6 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.59 1.181 . . . . 0.0 109.907 -179.964 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 68' ' ' ASP . . . . . 0.421 ' O ' ' CB ' ' A' ' 69' ' ' ASP . 7.0 t70 -61.11 138.29 58.21 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.57 1.169 . . . . 0.0 109.064 179.913 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 69' ' ' ASP . . . . . 0.421 ' CB ' ' O ' ' A' ' 68' ' ' ASP . 9.3 t0 89.38 -39.41 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.602 1.189 . . . . 0.0 108.959 -178.944 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 35.0 mm-40 -74.78 -25.49 59.1 Favored 'General case' 0 C--N 1.323 -0.548 0 O-C-N 124.822 1.326 . . . . 0.0 108.687 177.76 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -89.71 -44.33 10.09 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-N 114.372 -1.286 . . . . 0.0 108.07 178.448 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 5.8 tt0 -51.84 -33.7 37.28 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.786 1.303 . . . . 0.0 110.68 179.657 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 73' ' ' THR . . . . . 0.67 HG22 HD22 ' A' ' 74' ' ' LEU . 0.9 OUTLIER -68.89 -50.97 45.05 Favored 'General case' 0 C--N 1.327 -0.407 0 O-C-N 124.424 1.077 . . . . 0.0 109.893 179.695 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 74' ' ' LEU . . . . . 0.67 HD22 HG22 ' A' ' 73' ' ' THR . 4.2 mm? -70.86 -9.37 57.49 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.726 1.266 . . . . 0.0 110.781 -179.659 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -89.57 -31.21 17.7 Favored 'General case' 0 C--N 1.325 -0.457 0 N-CA-C 108.477 -0.935 . . . . 0.0 108.477 179.062 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 3.6 tttp -72.03 -48.31 45.45 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 125.001 1.438 . . . . 0.0 109.012 -179.786 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 77' ' ' TRP . . . . . 0.613 ' CZ3' ' CE2' ' A' ' 27' ' ' TYR . 72.0 t90 -66.16 -32.01 73.19 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.645 1.215 . . . . 0.0 108.107 -179.801 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 78' ' ' VAL . . . . . 0.573 HG13 HG11 ' A' ' 30' ' ' VAL . 0.6 OUTLIER -58.85 -48.78 85.2 Favored 'Isoleucine or valine' 0 CA--C 1.547 0.848 0 N-CA-C 105.097 -2.186 . . . . 0.0 105.097 176.411 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 79' ' ' LEU . . . . . 0.696 HD21 ' HB2' ' A' ' 34' ' ' PHE . 0.2 OUTLIER -99.63 34.53 2.21 Favored 'General case' 0 N--CA 1.452 -0.357 0 CA-C-N 112.848 -1.978 . . . . 0.0 113.342 -177.376 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 15.8 t -155.01 20.49 0.44 Allowed 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.306 1.003 . . . . 0.0 110.956 179.485 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 81' ' ' GLN . . . . . . . . . . . . . 1.5 pt20 42.34 -98.68 0.03 OUTLIER 'General case' 0 C--N 1.323 -0.544 0 O-C-N 124.705 1.253 . . . . 0.0 112.005 179.557 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.325 -0.499 0 O-C-N 124.345 1.028 . . . . 0.0 109.152 179.696 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER . . . . . 0 N--CA 1.452 -0.345 0 N-CA-C 109.297 -0.631 . . . . 0.0 109.297 . . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 3' ' ' PRO . . . . . 0.543 ' HB2' ' CG ' ' A' ' 77' ' ' TRP . 5.3 Cg_endo -73.39 -13.58 25.31 Favored 'Trans proline' 0 C--N 1.359 1.112 0 O-C-N 124.501 1.79 . . . . 0.0 111.601 -179.837 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 51.5 mt-10 -83.04 -28.03 29.89 Favored 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.796 1.31 . . . . 0.0 108.497 178.252 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 55.8 t -78.06 -31.76 16.86 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.398 0 CA-C-N 114.172 -1.376 . . . . 0.0 108.125 178.47 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 6' ' ' LEU . . . . . 0.579 ' HB3' HD11 ' A' ' 74' ' ' LEU . 0.3 OUTLIER -74.76 -39.29 61.89 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.859 1.349 . . . . 0.0 107.691 178.398 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 7' ' ' PHE . . . . . 0.874 ' CE2' HG23 ' A' ' 13' ' ' VAL . 14.6 t80 -60.52 -17.36 45.07 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 114.242 -1.345 . . . . 0.0 111.975 179.756 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 11.2 tptt -115.98 -13.24 11.27 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.16 0.912 . . . . 0.0 111.092 -178.999 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 9' ' ' ASN . . . . . 0.409 ' HB3' ' HA ' ' A' ' 6' ' ' LEU . 0.1 OUTLIER -62.37 -31.7 72.39 Favored 'General case' 0 N--CA 1.449 -0.5 0 N-CA-C 114.02 1.119 . . . . 0.0 114.02 -178.309 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -111.18 -88.39 0.52 Allowed 'General case' 0 C--N 1.326 -0.449 0 O-C-N 123.869 0.731 . . . . 0.0 112.012 -178.361 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -163.54 20.93 0.16 Allowed Glycine 0 CA--C 1.527 0.837 0 O-C-N 124.594 1.184 . . . . 0.0 113.969 -178.855 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 12' ' ' CYS . . . . . 0.607 ' HB2' ' CD1' ' A' ' 7' ' ' PHE . 15.5 m -59.68 -52.92 63.45 Favored 'General case' 0 N--CA 1.448 -0.561 0 N-CA-C 108.285 -1.005 . . . . 0.0 108.285 179.443 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 13' ' ' VAL . . . . . 0.874 HG23 ' CE2' ' A' ' 7' ' ' PHE . 0.3 OUTLIER -52.32 -11.17 0.25 Allowed 'Isoleucine or valine' 0 CA--C 1.539 0.548 0 N-CA-C 114.695 1.369 . . . . 0.0 114.695 -176.796 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -49.99 -45.48 51.74 Favored 'General case' 0 C--N 1.323 -0.548 0 O-C-N 126.12 2.137 . . . . 0.0 108.387 178.998 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -145.64 12.79 1.33 Allowed 'General case' 0 N--CA 1.45 -0.463 0 O-C-N 124.857 1.348 . . . . 0.0 112.675 -179.281 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 16' ' ' HIS . . . . . 0.599 ' CE1' ' HD2' ' A' ' 25' ' ' PRO . 6.1 m-70 -101.81 64.41 0.97 Allowed 'General case' 0 N--CA 1.451 -0.412 0 N-CA-C 115.849 1.796 . . . . 0.0 115.849 -177.98 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 17' ' ' ALA . . . . . 0.435 ' HB3' ' O ' ' A' ' 20' ' ' THR . . . -55.42 167.02 0.53 Allowed 'General case' 0 CA--C 1.54 0.581 0 N-CA-C 107.785 -1.191 . . . . 0.0 107.785 177.034 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 18' ' ' ILE . . . . . 0.786 HD13 ' CB ' ' A' ' 27' ' ' TYR 0.287 0.1 OUTLIER -129.3 55.94 0.34 Allowed 'Isoleucine or valine' 0 CA--C 1.55 0.969 0 N-CA-C 105.471 -2.048 . . . . 0.0 105.471 177.221 . . . . . . . . 4 4 . 1 . 004 nuclear nobuild core ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER 165.43 -23.79 0.0 OUTLIER 'General case' 0 N--CA 1.453 -0.323 0 CA-C-N 112.41 -2.177 . . . . 0.0 110.707 179.248 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 20' ' ' THR . . . . . 0.435 ' O ' ' HB3' ' A' ' 17' ' ' ALA . 0.3 OUTLIER -126.16 174.04 8.79 Favored 'General case' 0 C--N 1.323 -0.57 0 O-C-N 124.221 0.951 . . . . 0.0 110.207 179.744 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 1.6 pttp -128.97 138.28 51.87 Favored 'General case' 0 C--N 1.327 -0.403 0 O-C-N 124.377 1.048 . . . . 0.0 111.098 -179.431 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 22' ' ' MET . . . . . . . . . . . . . 2.2 tpp -134.67 -69.54 0.52 Allowed 'General case' 0 C--N 1.325 -0.474 0 CA-C-N 114.759 -1.109 . . . . 0.0 109.365 178.829 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 2.7 t -122.26 -49.0 2.65 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.519 0 N-CA-C 107.353 -1.351 . . . . 0.0 107.353 177.826 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -91.18 161.92 28.1 Favored Glycine 0 CA--C 1.534 1.26 0 O-C-N 124.845 1.34 . . . . 0.0 110.202 178.846 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 25' ' ' PRO . . . . . 0.599 ' HD2' ' CE1' ' A' ' 16' ' ' HIS . 46.8 Cg_endo -67.66 134.11 31.76 Favored 'Trans proline' 0 C--N 1.359 1.103 0 O-C-N 124.417 1.746 . . . . 0.0 114.097 -178.885 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 26' ' ' ALA . . . . . 0.485 ' HB3' ' OD2' ' A' ' 29' ' ' ASP . . . -57.73 123.3 15.22 Favored 'General case' 0 C--N 1.324 -0.507 0 N-CA-C 105.732 -1.951 . . . . 0.0 105.732 175.735 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 27' ' ' TYR . . . . . 0.869 ' CE2' HG13 ' A' ' 78' ' ' VAL . 5.2 m-85 -57.37 -16.53 9.29 Favored 'General case' 0 C--N 1.323 -0.576 0 O-C-N 124.873 1.358 . . . . 0.0 111.566 -178.019 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -82.08 -39.7 23.04 Favored 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.624 1.202 . . . . 0.0 111.588 -179.059 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 29' ' ' ASP . . . . . 0.485 ' OD2' ' HB3' ' A' ' 26' ' ' ALA . 5.1 p30 -72.62 -25.9 61.48 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.797 1.31 . . . . 0.0 109.209 -179.869 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 1.5 t -73.3 -36.31 48.93 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 N-CA-C 107.255 -1.387 . . . . 0.0 107.255 178.072 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 31' ' ' ALA . . . . . 0.603 ' HA ' ' HB2' ' A' ' 35' ' ' ALA . . . -88.84 15.84 7.78 Favored 'General case' 0 C--N 1.328 -0.346 0 O-C-N 124.997 1.436 . . . . 0.0 109.983 179.371 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -144.96 18.08 1.6 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.175 0.922 . . . . 0.0 111.252 179.765 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -167.12 44.62 0.05 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.332 1.02 . . . . 0.0 108.561 179.314 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 34' ' ' PHE . . . . . 0.4 ' CE2' HD22 ' A' ' 79' ' ' LEU . 10.0 t80 170.25 -31.23 0.0 OUTLIER 'General case' 0 CA--C 1.54 0.593 0 O-C-N 124.575 1.172 . . . . 0.0 110.18 179.82 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 35' ' ' ALA . . . . . 0.603 ' HB2' ' HA ' ' A' ' 31' ' ' ALA . . . -48.67 138.03 11.31 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 125.525 1.766 . . . . 0.0 108.396 178.753 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 103.05 -7.43 52.47 Favored Glycine 0 CA--C 1.531 1.073 0 O-C-N 124.571 1.169 . . . . 0.0 111.101 -177.921 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -92.05 60.53 3.82 Favored 'General case' 0 C--N 1.326 -0.417 0 N-CA-C 109.274 -0.639 . . . . 0.0 109.274 179.127 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -55.68 169.38 0.34 Allowed 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 114.695 -1.139 . . . . 0.0 110.84 -178.954 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 67.49 26.07 73.7 Favored Glycine 0 CA--C 1.529 0.925 0 CA-C-N 114.86 -1.063 . . . . 0.0 112.475 179.429 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -124.42 -11.65 7.36 Favored 'General case' 0 N--CA 1.45 -0.459 0 O-C-N 124.26 0.624 . . . . 0.0 111.882 -179.492 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 23.8 pt-20 -63.95 -9.88 18.13 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.068 0.855 . . . . 0.0 112.358 -179.277 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -77.86 -54.15 6.66 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.51 1.131 . . . . 0.0 108.697 179.766 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -80.74 2.4 26.27 Favored 'General case' 0 CA--C 1.537 0.475 0 O-C-N 124.774 1.297 . . . . 0.0 110.798 178.501 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 44' ' ' LEU . . . . . 0.688 ' O ' HG23 ' A' ' 48' ' ' ILE . 13.9 tp -90.16 -37.56 14.1 Favored 'General case' 0 C--N 1.324 -0.51 0 N-CA-C 106.989 -1.485 . . . . 0.0 106.989 176.831 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -67.6 -22.37 65.37 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.988 1.43 . . . . 0.0 109.175 178.708 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 46' ' ' GLN . . . . . . . . . . . . . 74.9 mt-30 -83.92 -24.35 30.79 Favored 'General case' 0 CA--C 1.537 0.463 0 O-C-N 124.744 1.278 . . . . 0.0 109.893 -179.477 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -79.73 -39.72 30.47 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.989 1.43 . . . . 0.0 109.651 178.702 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 48' ' ' ILE . . . . . 0.688 HG23 ' O ' ' A' ' 44' ' ' LEU . 0.3 OUTLIER -83.29 -0.24 5.05 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 125.003 1.439 . . . . 0.0 110.104 179.107 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 49' ' ' LYS . . . . . 0.668 ' CG ' HG23 ' A' ' 66' ' ' VAL . 0.9 OUTLIER -124.41 -5.18 7.73 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.051 0.845 . . . . 0.0 111.451 179.908 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 3.8 t-20 -144.64 4.04 1.14 Allowed 'General case' 0 N--CA 1.449 -0.504 0 O-C-N 124.5 1.125 . . . . 0.0 113.015 -179.677 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 83.01 162.54 32.59 Favored Glycine 0 CA--C 1.53 0.973 0 O-C-N 123.973 0.796 . . . . 0.0 111.969 179.32 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 6.4 p -109.91 -159.99 0.7 Allowed 'General case' 0 C--N 1.327 -0.409 0 O-C-N 124.446 0.733 . . . . 0.0 109.741 179.747 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -121.35 -12.13 8.66 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.595 1.184 . . . . 0.0 111.697 -179.772 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 114.15 97.09 2.2 Favored Glycine 0 CA--C 1.531 1.059 0 O-C-N 124.309 1.006 . . . . 0.0 110.741 -179.727 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 24.6 t -113.65 -39.23 3.0 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.551 0.795 . . . . 0.0 109.595 -179.775 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 56' ' ' TRP . . . . . . . . . . . . . 6.6 m95 -111.35 28.93 8.27 Favored 'General case' 0 C--N 1.326 -0.42 0 N-CA-C 108.155 -1.054 . . . . 0.0 108.155 179.756 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 147.26 166.15 12.26 Favored Glycine 0 CA--C 1.529 0.968 0 O-C-N 124.54 1.15 . . . . 0.0 110.964 179.863 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 58' ' ' PRO . . . . . . . . . . . . . 2.3 Cg_endo -69.29 -42.97 3.37 Favored 'Trans proline' 0 C--N 1.359 1.111 0 O-C-N 124.665 1.876 . . . . 0.0 110.745 179.442 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 59' ' ' ILE . . . . . . . . . . . . . 6.1 tt -55.68 110.49 2.3 Favored Pre-proline 0 C--N 1.325 -0.465 0 O-C-N 124.592 1.183 . . . . 0.0 109.298 179.884 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 60' ' ' PRO . . . . . . . . . . . . . 19.4 Cg_endo -78.84 168.38 20.98 Favored 'Trans proline' 0 C--N 1.359 1.088 0 O-C-N 124.458 1.768 . . . . 0.0 110.934 -179.596 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 61' ' ' MET . . . . . . . . . . . . . 6.8 ttp -86.99 125.24 67.11 Favored Pre-proline 0 C--N 1.326 -0.435 0 O-C-N 124.45 1.094 . . . . 0.0 111.01 179.894 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 62' ' ' PRO . . . . . . . . . . . . . 22.4 Cg_exo -49.54 113.61 1.02 Allowed 'Trans proline' 0 C--N 1.36 1.151 0 O-C-N 124.585 1.834 . . . . 0.0 110.709 179.517 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 63' ' ' PRO . . . . . . . . . . . . . 12.0 Cg_endo -65.28 109.29 1.33 Allowed 'Trans proline' 0 C--N 1.361 1.213 0 O-C-N 124.243 1.654 . . . . 0.0 111.131 -179.611 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 1.1 t-20 -114.55 127.82 56.0 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.573 1.17 . . . . 0.0 108.981 179.66 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -81.2 134.41 35.61 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.616 1.197 . . . . 0.0 110.199 -179.522 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 66' ' ' VAL . . . . . 0.668 HG23 ' CG ' ' A' ' 49' ' ' LYS . 0.1 OUTLIER -142.68 -152.54 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.439 0 O-C-N 124.389 1.056 . . . . 0.0 108.883 179.469 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 1.4 t -115.99 155.34 28.22 Favored 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.708 1.255 . . . . 0.0 109.717 179.74 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 1.6 m-20 -82.32 83.03 7.58 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.54 1.15 . . . . 0.0 109.204 179.996 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER 166.85 -43.84 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 114.703 -1.135 . . . . 0.0 108.557 179.625 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 70' ' ' GLU . . . . . 0.457 ' O ' HD12 ' A' ' 74' ' ' LEU . 10.1 mt-10 -76.81 -26.9 54.91 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.955 1.41 . . . . 0.0 108.484 178.193 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 71' ' ' ALA . . . . . 0.464 ' O ' HD11 ' A' ' 48' ' ' ILE . . . -92.04 -28.61 17.06 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 114.184 -1.371 . . . . 0.0 108.905 179.198 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -66.05 -35.81 81.55 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.589 1.181 . . . . 0.0 110.659 -179.991 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -71.42 -43.75 66.16 Favored 'General case' 0 C--N 1.327 -0.406 0 O-C-N 124.377 1.048 . . . . 0.0 111.371 -179.627 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 74' ' ' LEU . . . . . 0.579 HD11 ' HB3' ' A' ' 6' ' ' LEU . 9.9 mt -71.64 -27.45 63.09 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.409 1.068 . . . . 0.0 110.637 -179.231 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 75' ' ' ALA . . . . . 0.421 ' O ' HD23 ' A' ' 44' ' ' LEU . . . -67.65 -23.84 65.38 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.373 1.046 . . . . 0.0 110.353 -179.401 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -92.98 -18.01 23.23 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.397 1.06 . . . . 0.0 110.03 -179.97 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 77' ' ' TRP . . . . . 0.723 ' CE3' ' CE2' ' A' ' 27' ' ' TYR . 35.5 t90 -74.18 -19.12 60.66 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.391 1.057 . . . . 0.0 109.651 -179.66 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 78' ' ' VAL . . . . . 0.869 HG13 ' CE2' ' A' ' 27' ' ' TYR . 0.0 OUTLIER -84.16 -51.15 14.38 Favored 'Isoleucine or valine' 0 CA--C 1.552 1.024 0 N-CA-C 106.513 -1.662 . . . . 0.0 106.513 177.89 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 79' ' ' LEU . . . . . 0.4 HD22 ' CE2' ' A' ' 34' ' ' PHE . 0.1 OUTLIER -40.43 -56.37 2.04 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 125.431 1.707 . . . . 0.0 111.094 -179.669 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 80' ' ' SER . . . . . 0.408 ' C ' ' CG ' ' A' ' 81' ' ' GLN . 57.6 p -174.34 50.03 0.01 OUTLIER 'General case' 0 C--N 1.327 -0.41 0 O-C-N 124.55 1.156 . . . . 0.0 110.353 -179.748 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 81' ' ' GLN . . . . . 0.437 ' HA ' ' HA ' ' A' ' 77' ' ' TRP . 0.1 OUTLIER 46.01 -100.1 0.05 OUTLIER 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.642 1.214 . . . . 0.0 111.247 179.862 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--N 1.325 -0.463 0 O-C-N 124.265 0.978 . . . . 0.0 109.179 179.71 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 2' ' ' ASP . . . . . 0.41 ' HB2' ' HD2' ' A' ' 3' ' ' PRO . 0.5 OUTLIER . . . . . 0 N--CA 1.453 -0.299 0 N-CA-C 109.152 -0.685 . . . . 0.0 109.152 . . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 3' ' ' PRO . . . . . 0.486 ' HB3' HG23 ' A' ' 73' ' ' THR . 9.9 Cg_endo -76.26 -10.23 19.16 Favored 'Trans proline' 0 C--N 1.36 1.154 0 O-C-N 124.486 1.782 . . . . 0.0 112.286 -179.454 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 4' ' ' GLU . . . . . 0.474 ' HA ' ' CZ2' ' A' ' 77' ' ' TRP . 19.4 tt0 -76.77 -28.88 55.85 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.565 1.165 . . . . 0.0 109.495 179.9 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 30.3 t -88.03 -33.28 6.46 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 N-CA-C 107.25 -1.389 . . . . 0.0 107.25 177.937 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -66.61 -31.85 72.81 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 113.889 -1.505 . . . . 0.0 108.624 178.888 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 7' ' ' PHE . . . . . 0.852 ' CZ ' HG23 ' A' ' 13' ' ' VAL . 0.4 OUTLIER -72.43 -33.57 67.18 Favored 'General case' 0 CA--C 1.538 0.489 0 O-C-N 124.955 1.409 . . . . 0.0 110.379 179.566 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 13.6 tttt -77.39 -1.9 32.45 Favored 'General case' 0 C--N 1.326 -0.415 0 O-C-N 124.898 1.374 . . . . 0.0 110.943 -179.527 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 9.5 t-20 -47.79 -69.47 0.12 Allowed 'General case' 0 C--N 1.323 -0.556 0 O-C-N 124.402 1.064 . . . . 0.0 109.954 -179.863 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 10' ' ' LYS . . . . . 0.413 ' HG2' ' N ' ' A' ' 11' ' ' GLY . 0.0 OUTLIER 179.77 -35.92 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.546 1.154 . . . . 0.0 110.389 179.89 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 11' ' ' GLY . . . . . 0.413 ' N ' ' HG2' ' A' ' 10' ' ' LYS . . . -61.97 -67.12 2.24 Favored Glycine 0 CA--C 1.53 0.975 0 O-C-N 124.319 1.012 . . . . 0.0 113.636 -178.558 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 12' ' ' CYS . . . . . 0.565 ' CB ' ' CD2' ' A' ' 7' ' ' PHE . 60.6 m -58.89 -58.5 8.37 Favored 'General case' 0 N--CA 1.449 -0.504 0 O-C-N 124.162 0.566 . . . . 0.0 111.258 -178.279 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 13' ' ' VAL . . . . . 0.852 HG23 ' CZ ' ' A' ' 7' ' ' PHE . 0.4 OUTLIER -63.39 -4.21 1.26 Allowed 'Isoleucine or valine' 0 CA--C 1.536 0.437 0 N-CA-C 114.126 1.158 . . . . 0.0 114.126 -176.605 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -53.21 -31.26 42.23 Favored 'General case' 0 C--N 1.324 -0.537 0 O-C-N 125.817 1.948 . . . . 0.0 107.81 178.748 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 15' ' ' CYS . . . . . 0.441 ' HB2' ' HB ' ' A' ' 23' ' ' VAL . 0.8 OUTLIER -155.57 14.94 0.37 Allowed 'General case' 0 N--CA 1.449 -0.485 0 O-C-N 124.97 1.419 . . . . 0.0 112.494 -179.589 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 16' ' ' HIS . . . . . 0.562 ' CE1' ' HD2' ' A' ' 25' ' ' PRO . 8.6 m-70 -105.14 -173.66 2.35 Favored 'General case' 0 N--CA 1.45 -0.459 0 O-C-N 123.82 0.7 . . . . 0.0 110.955 179.818 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 17' ' ' ALA . . . . . 0.464 ' HB3' ' O ' ' A' ' 20' ' ' THR . . . 179.47 157.63 0.61 Allowed 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 114.318 -1.31 . . . . 0.0 108.982 179.344 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 18' ' ' ILE . . . . . 0.635 HD12 ' O ' ' A' ' 18' ' ' ILE . 0.5 OUTLIER -93.43 -28.71 4.36 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.374 0 O-C-N 124.499 1.124 . . . . 0.0 111.783 -179.117 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 17.4 p30 -134.81 27.1 3.63 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.548 1.155 . . . . 0.0 109.822 -179.779 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 20' ' ' THR . . . . . 0.464 ' O ' ' HB3' ' A' ' 17' ' ' ALA . 0.1 OUTLIER -148.02 158.66 44.18 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.532 1.145 . . . . 0.0 109.693 179.404 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -127.66 131.75 49.78 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.511 1.132 . . . . 0.0 109.949 -179.408 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 22' ' ' MET . . . . . . . . . . . . . 3.7 mtt -130.12 -91.47 0.45 Allowed 'General case' 0 C--N 1.324 -0.509 0 CA-C-N 114.979 -1.009 . . . . 0.0 110.043 179.422 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 23' ' ' VAL . . . . . 0.441 ' HB ' ' HB2' ' A' ' 15' ' ' CYS . 2.1 t -98.43 -38.15 7.04 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.522 0 N-CA-C 107.637 -1.245 . . . . 0.0 107.637 178.307 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -106.7 174.32 20.05 Favored Glycine 0 CA--C 1.532 1.143 0 CA-C-N 114.22 -1.354 . . . . 0.0 110.927 179.865 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 25' ' ' PRO . . . . . 0.562 ' HD2' ' CE1' ' A' ' 16' ' ' HIS . 60.8 Cg_endo -72.08 159.77 49.16 Favored 'Trans proline' 0 C--N 1.359 1.116 0 C-N-CA 121.972 1.781 . . . . 0.0 113.333 -179.102 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 26' ' ' ALA . . . . . 0.505 ' O ' HG23 ' A' ' 30' ' ' VAL . . . -89.39 142.18 27.89 Favored 'General case' 0 CA--C 1.54 0.579 0 N-CA-C 106.281 -1.748 . . . . 0.0 106.281 176.433 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 27' ' ' TYR . . . . . 0.618 ' CE2' ' CE3' ' A' ' 77' ' ' TRP . 11.0 m-85 -68.32 -26.68 65.74 Favored 'General case' 0 C--N 1.322 -0.614 0 O-C-N 125.151 1.532 . . . . 0.0 110.841 -178.46 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 3.5 tptm -75.31 -26.56 58.76 Favored 'General case' 0 C--N 1.328 -0.343 0 O-C-N 124.945 1.403 . . . . 0.0 108.614 179.408 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 29' ' ' ASP . . . . . 0.478 ' HB3' ' CH2' ' A' ' 56' ' ' TRP . 2.5 m-20 -85.27 -25.55 27.17 Favored 'General case' 0 C--N 1.323 -0.551 0 O-C-N 124.767 1.292 . . . . 0.0 107.691 177.556 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 30' ' ' VAL . . . . . 0.505 HG23 ' O ' ' A' ' 26' ' ' ALA . 8.3 t -70.37 -31.98 48.73 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.383 0 CA-C-N 114.268 -1.333 . . . . 0.0 107.552 178.012 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -79.34 -24.2 42.91 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 125.275 1.609 . . . . 0.0 109.202 179.384 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -88.14 5.39 41.56 Favored 'General case' 0 CA--C 1.536 0.44 0 O-C-N 124.955 1.41 . . . . 0.0 109.526 178.87 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 2.0 tppp? -120.87 -21.14 6.68 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.744 1.277 . . . . 0.0 110.849 179.369 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 34' ' ' PHE . . . . . 0.519 ' CZ ' HD12 ' A' ' 79' ' ' LEU . 0.1 OUTLIER -88.76 -68.26 0.78 Allowed 'General case' 0 C--N 1.323 -0.582 0 O-C-N 124.188 0.93 . . . . 0.0 109.041 179.314 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . 42.23 52.25 4.52 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.38 1.05 . . . . 0.0 111.292 177.913 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 136.88 -47.64 0.95 Allowed Glycine 0 CA--C 1.536 1.359 0 N-CA-C 109.123 -1.591 . . . . 0.0 109.123 -178.741 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 37' ' ' GLN . . . . . 0.503 ' HG3' ' HB3' ' A' ' 34' ' ' PHE . 0.0 OUTLIER 64.87 -131.08 0.3 Allowed 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 114.142 -1.029 . . . . 0.0 110.561 177.823 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 38' ' ' ALA . . . . . 0.466 ' HB3' ' O ' ' A' ' 37' ' ' GLN . . . 76.57 39.56 0.25 Allowed 'General case' 0 CA--C 1.54 0.582 0 N-CA-C 107.361 -1.348 . . . . 0.0 107.361 -177.795 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 39' ' ' GLY . . . . . 0.42 ' O ' ' HB3' ' A' ' 40' ' ' ALA . . . -112.7 31.47 6.81 Favored Glycine 0 CA--C 1.531 1.084 0 CA-C-N 114.095 -1.412 . . . . 0.0 110.757 -179.813 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 40' ' ' ALA . . . . . 0.42 ' HB3' ' O ' ' A' ' 39' ' ' GLY . . . 69.67 83.56 0.15 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.665 0.862 . . . . 0.0 111.893 179.395 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 41' ' ' GLU . . . . . 0.455 ' HA ' ' HB3' ' A' ' 44' ' ' LEU . 1.4 pt-20 -61.19 -13.95 21.78 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.851 1.345 . . . . 0.0 110.145 177.755 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -75.43 -50.76 14.85 Favored 'General case' 0 C--N 1.323 -0.552 0 O-C-N 124.725 1.266 . . . . 0.0 107.764 178.968 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 8.1 mt-10 -82.76 0.75 42.2 Favored 'General case' 0 CA--C 1.54 0.58 0 O-C-N 125.203 1.564 . . . . 0.0 110.412 177.593 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 44' ' ' LEU . . . . . 0.551 ' O ' HG23 ' A' ' 48' ' ' ILE . 0.4 OUTLIER -84.71 -37.7 20.62 Favored 'General case' 0 CA--C 1.54 0.57 0 N-CA-C 106.0 -1.852 . . . . 0.0 106.0 176.297 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 45' ' ' ALA . . . . . 0.46 ' HA ' HG12 ' A' ' 48' ' ' ILE . . . -72.08 -21.25 61.53 Favored 'General case' 0 N--CA 1.451 -0.409 0 CA-C-N 113.776 -1.557 . . . . 0.0 108.986 177.746 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 46' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER -82.58 -19.23 38.88 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.624 1.202 . . . . 0.0 110.9 -178.698 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 5.6 mtm180 -84.95 -37.72 20.17 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 125.096 1.497 . . . . 0.0 108.619 178.12 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 48' ' ' ILE . . . . . 0.551 HG23 ' O ' ' A' ' 44' ' ' LEU . 0.6 OUTLIER -77.47 -6.11 8.61 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 O-C-N 125.189 1.556 . . . . 0.0 111.239 179.672 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 49' ' ' LYS . . . . . 0.614 ' HD3' ' HB2' ' A' ' 71' ' ' ALA . 0.0 OUTLIER -126.99 -4.87 6.26 Favored 'General case' 0 N--CA 1.451 -0.411 0 O-C-N 123.993 0.808 . . . . 0.0 112.118 -179.797 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 1.8 t-20 -137.16 3.78 2.65 Favored 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.647 1.217 . . . . 0.0 111.584 179.347 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 76.77 152.89 4.89 Favored Glycine 0 CA--C 1.53 0.969 0 O-C-N 124.106 0.879 . . . . 0.0 112.585 178.983 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 4.4 m -103.19 -151.63 0.43 Allowed 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 114.716 -0.742 . . . . 0.0 109.502 179.377 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 1.8 tm0? -175.47 100.35 0.08 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.452 1.095 . . . . 0.0 110.33 179.888 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 78.43 84.27 0.56 Allowed Glycine 0 CA--C 1.531 1.035 0 O-C-N 124.51 1.131 . . . . 0.0 110.926 -179.982 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 55' ' ' VAL . . . . . 0.563 HG12 ' CD1' ' A' ' 56' ' ' TRP . 11.7 t -133.5 -65.32 0.5 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.59 0.818 . . . . 0.0 109.254 -179.983 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 56' ' ' TRP . . . . . 0.563 ' CD1' HG12 ' A' ' 55' ' ' VAL . 3.0 m95 -115.47 32.97 5.72 Favored 'General case' 0 C--N 1.326 -0.425 0 N-CA-C 107.746 -1.205 . . . . 0.0 107.746 179.282 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 107.47 -153.31 16.85 Favored Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.687 1.242 . . . . 0.0 111.234 179.751 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 58' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.75 -172.02 1.21 Allowed 'Trans proline' 0 C--N 1.36 1.181 0 O-C-N 124.467 1.772 . . . . 0.0 111.023 -179.536 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 59' ' ' ILE . . . . . . . . . . . . . 3.1 mp 54.74 79.49 0.34 Allowed Pre-proline 0 C--N 1.324 -0.519 0 O-C-N 124.485 1.116 . . . . 0.0 109.056 -179.944 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 60' ' ' PRO . . . . . . . . . . . . . 23.5 Cg_endo -78.08 173.89 13.29 Favored 'Trans proline' 0 C--N 1.36 1.169 0 O-C-N 124.446 1.761 . . . . 0.0 111.25 -179.529 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 61' ' ' MET . . . . . 0.419 ' HG3' ' HD2' ' A' ' 62' ' ' PRO . 6.8 ttp -76.29 132.13 73.76 Favored Pre-proline 0 C--N 1.325 -0.461 0 O-C-N 124.428 1.08 . . . . 0.0 110.873 179.92 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 62' ' ' PRO . . . . . 0.419 ' HD2' ' HG3' ' A' ' 61' ' ' MET . 6.9 Cg_endo -57.17 135.4 70.28 Favored 'Trans proline' 0 C--N 1.361 1.225 0 O-C-N 124.566 1.824 . . . . 0.0 110.673 179.541 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 63' ' ' PRO . . . . . . . . . . . . . 22.4 Cg_endo -73.95 100.05 1.24 Allowed 'Trans proline' 0 C--N 1.36 1.148 0 O-C-N 124.455 1.766 . . . . 0.0 110.864 -179.748 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 64' ' ' ASN . . . . . 0.428 ' HB3' ' HG3' ' A' ' 49' ' ' LYS . 0.1 OUTLIER -65.97 -169.21 0.06 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.507 1.129 . . . . 0.0 109.291 179.972 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -155.21 104.06 2.41 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.601 1.188 . . . . 0.0 109.49 179.96 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 66' ' ' VAL . . . . . 0.525 HG12 ' N ' ' A' ' 67' ' ' SER . 68.9 t -141.79 -96.58 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.492 1.12 . . . . 0.0 109.213 179.92 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 67' ' ' SER . . . . . 0.525 ' N ' HG12 ' A' ' 66' ' ' VAL . 0.4 OUTLIER -172.29 -91.14 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.455 1.097 . . . . 0.0 109.922 179.974 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 15.4 t0 -178.79 55.79 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.566 1.166 . . . . 0.0 109.578 179.921 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 24.8 t70 -146.27 -64.53 0.3 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.554 1.159 . . . . 0.0 108.982 179.502 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 47.4 tt0 -60.57 -22.39 63.64 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.665 1.228 . . . . 0.0 109.424 178.892 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 71' ' ' ALA . . . . . 0.614 ' HB2' ' HD3' ' A' ' 49' ' ' LYS . . . -88.68 -34.03 17.36 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.598 1.186 . . . . 0.0 109.112 179.51 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 14.5 mt-30 -58.04 -32.4 67.95 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.545 1.153 . . . . 0.0 110.633 -179.851 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 73' ' ' THR . . . . . 0.486 HG23 ' HB3' ' A' ' 3' ' ' PRO . 0.4 OUTLIER -80.49 -40.16 26.64 Favored 'General case' 0 C--N 1.326 -0.422 0 O-C-N 124.409 1.068 . . . . 0.0 111.146 -179.607 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 74' ' ' LEU . . . . . 0.431 ' HG ' HG22 ' A' ' 73' ' ' THR . 14.4 mt -76.83 -11.63 59.85 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.397 1.061 . . . . 0.0 111.057 -179.39 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -89.9 -22.45 22.01 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.262 0.976 . . . . 0.0 109.89 179.989 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -83.75 -18.63 37.17 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.536 1.147 . . . . 0.0 110.062 -179.543 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 77' ' ' TRP . . . . . 0.618 ' CE3' ' CE2' ' A' ' 27' ' ' TYR . 28.8 t90 -84.82 -35.88 22.01 Favored 'General case' 0 C--N 1.323 -0.566 0 N-CA-C 107.309 -1.367 . . . . 0.0 107.309 179.742 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 78' ' ' VAL . . . . . 0.584 HG23 ' CE2' ' A' ' 27' ' ' TYR . 1.2 t -69.05 -51.71 41.18 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.553 0 N-CA-C 107.242 -1.392 . . . . 0.0 107.242 177.854 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 79' ' ' LEU . . . . . 0.538 ' N ' HG12 ' A' ' 78' ' ' VAL . 0.4 OUTLIER -59.12 -63.52 1.27 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 113.972 -1.467 . . . . 0.0 109.678 -179.139 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -120.61 93.05 3.91 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.294 0.996 . . . . 0.0 110.272 -179.989 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 81' ' ' GLN . . . . . . . . . . . . . 5.8 tt0 -59.67 -75.71 0.05 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.537 1.148 . . . . 0.0 110.65 179.942 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 9.3 pttt . . . . . 0 C--N 1.325 -0.47 0 O-C-N 124.48 1.112 . . . . 0.0 109.321 -179.883 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 2' ' ' ASP . . . . . 0.532 ' N ' ' CD ' ' A' ' 3' ' ' PRO . 0.0 OUTLIER . . . . . 0 N--CA 1.451 -0.403 0 CA-C-O 119.823 -0.132 . . . . 0.0 110.724 . . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 3' ' ' PRO . . . . . 0.532 ' CD ' ' N ' ' A' ' 2' ' ' ASP . 1.6 Cg_endo -70.28 -14.07 34.06 Favored 'Trans proline' 0 C--N 1.359 1.09 0 O-C-N 124.186 1.624 . . . . 0.0 111.937 -179.464 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 4' ' ' GLU . . . . . 0.514 ' HG3' ' CZ2' ' A' ' 77' ' ' TRP . 4.4 mt-10 -78.61 -30.26 46.45 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.721 1.263 . . . . 0.0 108.284 178.563 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 3.8 t -82.1 -26.64 9.24 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.402 0 CA-C-N 113.98 -1.464 . . . . 0.0 108.864 179.11 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 6' ' ' LEU . . . . . 0.634 ' HB3' HD21 ' A' ' 74' ' ' LEU . 1.7 mt -83.22 -28.73 29.04 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.548 1.155 . . . . 0.0 108.662 179.373 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 7' ' ' PHE . . . . . 0.805 ' CZ ' HG23 ' A' ' 13' ' ' VAL . 15.8 t80 -68.91 -23.39 64.17 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.724 1.265 . . . . 0.0 110.922 179.908 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -103.67 -5.1 22.93 Favored 'General case' 0 C--N 1.326 -0.42 0 O-C-N 124.544 1.153 . . . . 0.0 110.807 179.878 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -87.54 -66.0 0.96 Allowed 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.127 0.892 . . . . 0.0 110.506 -179.523 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -51.82 -53.21 42.72 Favored 'General case' 0 C--N 1.326 -0.423 0 O-C-N 124.259 0.974 . . . . 0.0 110.335 -179.29 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 131.93 27.75 0.64 Allowed Glycine 0 CA--C 1.529 0.909 0 O-C-N 124.416 1.073 . . . . 0.0 113.96 179.304 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 12' ' ' CYS . . . . . 0.623 ' HB2' ' CD1' ' A' ' 7' ' ' PHE . 1.2 m -66.73 -42.1 86.83 Favored 'General case' 0 CA--C 1.544 0.72 0 N-CA-C 108.05 -1.093 . . . . 0.0 108.05 179.515 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 13' ' ' VAL . . . . . 0.805 HG23 ' CZ ' ' A' ' 7' ' ' PHE . 0.3 OUTLIER -65.71 -6.78 4.03 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.547 0 O-C-N 125.377 1.673 . . . . 0.0 113.134 -177.29 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -54.13 -25.6 23.06 Favored 'General case' 0 CA--C 1.539 0.527 0 O-C-N 125.774 1.921 . . . . 0.0 107.84 178.447 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 15' ' ' CYS . . . . . 0.438 ' HB2' ' HB ' ' A' ' 23' ' ' VAL . 0.5 OUTLIER -155.26 16.53 0.41 Allowed 'General case' 0 N--CA 1.45 -0.441 0 O-C-N 124.743 1.277 . . . . 0.0 111.647 -179.149 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 16' ' ' HIS . . . . . 0.547 ' CE1' ' HD2' ' A' ' 25' ' ' PRO . 6.4 m-70 -115.3 164.08 14.76 Favored 'General case' 0 CA--C 1.539 0.533 0 O-C-N 123.738 0.649 . . . . 0.0 110.572 179.502 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 17' ' ' ALA . . . . . 0.426 ' HB3' ' O ' ' A' ' 20' ' ' THR . . . -153.13 155.68 37.21 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 114.182 -1.372 . . . . 0.0 108.309 178.02 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 18' ' ' ILE . . . . . 0.64 HD12 ' O ' ' A' ' 18' ' ' ILE . 0.5 OUTLIER -90.73 -26.58 5.16 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 O-C-N 124.675 1.234 . . . . 0.0 111.267 -179.341 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 3.4 p30 -133.17 22.29 4.1 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.501 1.126 . . . . 0.0 110.523 -179.755 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 20' ' ' THR . . . . . 0.426 ' O ' ' HB3' ' A' ' 17' ' ' ALA . 0.2 OUTLIER -145.14 160.13 41.91 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.44 1.087 . . . . 0.0 109.822 179.367 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 21' ' ' LYS . . . . . 0.438 ' HE2' ' HG2' ' A' ' 58' ' ' PRO . 0.0 OUTLIER -121.79 123.94 42.99 Favored 'General case' 0 C--N 1.326 -0.425 0 O-C-N 124.593 1.183 . . . . 0.0 109.955 -179.369 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 22' ' ' MET . . . . . . . . . . . . . 21.0 mtp -124.21 -96.76 0.45 Allowed 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.444 1.09 . . . . 0.0 110.037 179.089 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 23' ' ' VAL . . . . . 0.438 ' HB ' ' HB2' ' A' ' 15' ' ' CYS . 2.2 t -94.27 -39.25 10.23 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 N-CA-C 107.462 -1.31 . . . . 0.0 107.462 178.064 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -103.92 172.46 20.82 Favored Glycine 0 CA--C 1.532 1.096 0 CA-C-N 114.166 -1.379 . . . . 0.0 110.763 179.685 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 25' ' ' PRO . . . . . 0.547 ' HD2' ' CE1' ' A' ' 16' ' ' HIS . 72.2 Cg_endo -74.45 153.1 44.46 Favored 'Trans proline' 0 C--N 1.359 1.094 0 O-C-N 124.392 1.733 . . . . 0.0 111.508 -179.234 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -75.71 139.05 41.7 Favored 'General case' 0 C--N 1.325 -0.493 0 N-CA-C 106.919 -1.511 . . . . 0.0 106.919 176.865 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 27' ' ' TYR . . . . . 0.72 ' CE2' HG23 ' A' ' 78' ' ' VAL . 15.1 m-85 -67.93 -26.16 65.83 Favored 'General case' 0 C--N 1.324 -0.542 0 O-C-N 124.959 1.412 . . . . 0.0 110.851 -178.812 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 17.3 ttmt -74.49 -24.19 58.98 Favored 'General case' 0 C--N 1.326 -0.414 0 O-C-N 124.996 1.435 . . . . 0.0 109.959 -179.63 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 29' ' ' ASP . . . . . 0.517 ' HB3' ' CH2' ' A' ' 56' ' ' TRP . 29.0 m-20 -81.99 -43.8 17.54 Favored 'General case' 0 C--N 1.325 -0.471 0 N-CA-C 107.633 -1.247 . . . . 0.0 107.633 178.5 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 30' ' ' VAL . . . . . 0.684 HG11 HG13 ' A' ' 78' ' ' VAL . 71.0 t -63.45 -28.16 44.47 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.474 0 CA-C-N 114.126 -1.397 . . . . 0.0 107.359 177.511 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 31' ' ' ALA . . . . . 0.469 ' O ' ' HB3' ' A' ' 35' ' ' ALA . . . -73.35 -34.41 65.61 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 114.163 -1.38 . . . . 0.0 108.819 179.412 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -64.15 -9.86 19.36 Favored 'General case' 0 CA--C 1.544 0.72 0 O-C-N 124.741 1.276 . . . . 0.0 109.852 179.924 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 33' ' ' LYS . . . . . 0.5 ' O ' ' CB ' ' A' ' 34' ' ' PHE . 1.2 mtmm -147.6 87.14 1.62 Allowed 'General case' 0 N--CA 1.447 -0.584 0 O-C-N 125.316 1.635 . . . . 0.0 111.261 178.744 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 34' ' ' PHE . . . . . 0.5 ' CB ' ' O ' ' A' ' 33' ' ' LYS . 10.3 m-30 130.3 -11.51 0.0 OUTLIER 'General case' 0 CA--C 1.546 0.795 0 C-N-CA 125.823 1.649 . . . . 0.0 112.363 177.978 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 35' ' ' ALA . . . . . 0.469 ' HB3' ' O ' ' A' ' 31' ' ' ALA . . . -93.05 31.33 1.45 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.691 1.245 . . . . 0.0 110.084 -179.859 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . -163.35 31.25 0.27 Allowed Glycine 0 CA--C 1.538 1.489 0 N-CA-C 109.506 -1.438 . . . . 0.0 109.506 179.243 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 37' ' ' GLN . . . . . 0.825 HE21 ' HA ' ' A' ' 37' ' ' GLN . 0.0 OUTLIER 176.62 -55.82 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 113.776 -1.212 . . . . 0.0 110.617 -178.761 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 38' ' ' ALA . . . . . 0.527 ' HA ' HD11 ' A' ' 79' ' ' LEU . . . 95.27 -95.72 0.0 OUTLIER 'General case' 0 CA--C 1.544 0.734 0 N-CA-C 107.306 -1.368 . . . . 0.0 107.306 -177.469 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 71.68 -0.83 33.27 Favored Glycine 0 CA--C 1.529 0.932 0 O-C-N 124.872 1.357 . . . . 0.0 113.65 178.396 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -174.34 80.85 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.484 0.755 . . . . 0.0 111.13 -179.862 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 41' ' ' GLU . . . . . 0.402 ' HA ' ' HB3' ' A' ' 44' ' ' LEU . 0.2 OUTLIER -123.68 10.23 9.01 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.486 1.116 . . . . 0.0 111.052 179.573 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -102.41 -63.53 1.15 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.312 1.008 . . . . 0.0 108.376 179.311 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 40.2 mt-10 -77.71 0.67 22.63 Favored 'General case' 0 CA--C 1.539 0.557 0 O-C-N 124.858 1.349 . . . . 0.0 110.471 177.438 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 44' ' ' LEU . . . . . 0.402 ' HB3' ' HA ' ' A' ' 41' ' ' GLU . 1.4 tm? -87.11 -34.46 19.1 Favored 'General case' 0 C--N 1.323 -0.563 0 N-CA-C 106.423 -1.695 . . . . 0.0 106.423 176.952 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -73.92 -23.86 59.59 Favored 'General case' 0 CA--C 1.536 0.421 0 CA-C-N 114.085 -1.416 . . . . 0.0 108.258 177.246 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 46' ' ' GLN . . . . . . . . . . . . . 2.5 tm0? -78.37 -20.75 50.58 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-N 114.379 -1.282 . . . . 0.0 109.77 -179.645 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 47' ' ' ARG . . . . . 0.726 ' HG2' HH11 ' A' ' 47' ' ' ARG . 22.8 mmt-85 -73.6 -35.31 65.37 Favored 'General case' 0 CA--C 1.539 0.532 0 O-C-N 125.294 1.621 . . . . 0.0 108.011 177.427 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 2.2 mt -64.92 -24.98 36.67 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 125.102 1.501 . . . . 0.0 110.676 179.492 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 49' ' ' LYS . . . . . 0.606 ' HB2' HG23 ' A' ' 66' ' ' VAL . 3.5 ptpp? -118.37 2.33 11.87 Favored 'General case' 0 N--CA 1.449 -0.485 0 N-CA-C 113.904 1.076 . . . . 0.0 113.904 -177.722 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 16.9 t30 -129.54 -5.06 4.73 Favored 'General case' 0 N--CA 1.45 -0.431 0 O-C-N 124.267 0.979 . . . . 0.0 111.804 -179.545 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 76.67 149.36 3.01 Favored Glycine 0 CA--C 1.529 0.931 0 O-C-N 124.289 0.993 . . . . 0.0 111.694 179.636 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 13.0 m -81.82 -152.51 0.1 Allowed 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.47 0.747 . . . . 0.0 109.561 179.808 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -160.29 39.61 0.18 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.452 1.095 . . . . 0.0 110.173 -179.858 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 73.06 76.33 0.66 Allowed Glycine 0 CA--C 1.531 1.056 0 CA-C-N 114.82 -1.082 . . . . 0.0 110.59 -179.782 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 48.7 t -93.14 -40.64 12.11 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.427 0 O-C-N 124.491 0.76 . . . . 0.0 110.177 -179.457 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 56' ' ' TRP . . . . . 0.517 ' CH2' ' HB3' ' A' ' 29' ' ' ASP . 8.1 m95 -99.17 -24.0 15.02 Favored 'General case' 0 C--N 1.326 -0.425 0 O-C-N 124.547 1.155 . . . . 0.0 109.225 -179.481 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 146.58 -67.13 0.41 Allowed Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.402 1.064 . . . . 0.0 112.821 179.358 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 58' ' ' PRO . . . . . 0.438 ' HG2' ' HE2' ' A' ' 21' ' ' LYS . 17.3 Cg_exo -51.36 169.65 0.2 Allowed 'Trans proline' 0 C--N 1.361 1.2 0 O-C-N 124.458 1.767 . . . . 0.0 112.326 -178.729 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 59' ' ' ILE . . . . . 0.475 HG13 ' CD ' ' A' ' 60' ' ' PRO . 0.3 OUTLIER -49.72 155.49 1.43 Allowed Pre-proline 0 C--N 1.327 -0.396 0 CA-C-N 114.874 -1.057 . . . . 0.0 109.99 -179.805 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 60' ' ' PRO . . . . . 0.475 ' CD ' HG13 ' A' ' 59' ' ' ILE . 19.8 Cg_endo -77.43 160.03 32.31 Favored 'Trans proline' 0 C--N 1.36 1.161 0 O-C-N 124.331 1.7 . . . . 0.0 111.884 -179.215 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 61' ' ' MET . . . . . 0.44 ' HG3' ' HD2' ' A' ' 62' ' ' PRO . 5.3 ttp -64.14 130.35 94.5 Favored Pre-proline 0 C--N 1.326 -0.456 0 O-C-N 124.38 1.05 . . . . 0.0 111.547 -179.958 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 62' ' ' PRO . . . . . 0.44 ' HD2' ' HG3' ' A' ' 61' ' ' MET . 0.9 OUTLIER -50.85 116.08 2.4 Favored 'Trans proline' 0 C--N 1.361 1.185 0 O-C-N 124.49 1.784 . . . . 0.0 110.205 179.268 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 63' ' ' PRO . . . . . . . . . . . . . 11.7 Cg_endo -64.9 107.87 0.99 Allowed 'Trans proline' 0 C--N 1.36 1.15 0 O-C-N 124.292 1.68 . . . . 0.0 110.951 -179.392 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 28.7 m-20 -96.29 -160.9 0.83 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.416 1.072 . . . . 0.0 109.032 179.757 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -144.35 98.6 3.23 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.432 1.082 . . . . 0.0 109.493 -179.936 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 66' ' ' VAL . . . . . 0.606 HG23 ' HB2' ' A' ' 49' ' ' LYS . 1.5 t -108.79 170.19 2.94 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.491 1.119 . . . . 0.0 109.237 179.985 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 67' ' ' SER . . . . . 0.422 ' H ' HG12 ' A' ' 66' ' ' VAL . 14.6 m -93.54 22.26 5.54 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.484 1.115 . . . . 0.0 110.545 -179.723 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 68' ' ' ASP . . . . . 0.436 ' HA ' ' CE ' ' A' ' 49' ' ' LYS . 31.0 t0 52.89 57.46 6.33 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.344 1.028 . . . . 0.0 109.813 179.876 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 4.4 m-20 -153.03 -68.51 0.15 Allowed 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 114.727 -1.124 . . . . 0.0 108.366 179.19 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 70' ' ' GLU . . . . . 0.508 ' O ' HD23 ' A' ' 74' ' ' LEU . 3.7 mt-10 -54.28 -23.17 13.99 Favored 'General case' 0 C--N 1.326 -0.431 0 O-C-N 124.824 1.327 . . . . 0.0 109.026 178.118 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -81.19 -47.57 13.25 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 114.567 -1.197 . . . . 0.0 108.71 179.011 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -47.67 -34.65 8.39 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.7 1.25 . . . . 0.0 112.308 -179.696 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 73' ' ' THR . . . . . 0.598 HG22 HD22 ' A' ' 74' ' ' LEU . 1.0 OUTLIER -77.64 -45.56 24.66 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.15 0.906 . . . . 0.0 110.826 -179.599 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 74' ' ' LEU . . . . . 0.634 HD21 ' HB3' ' A' ' 6' ' ' LEU . 3.9 mm? -73.76 -6.71 48.6 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.572 1.17 . . . . 0.0 110.556 -179.982 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -94.49 -19.78 20.25 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.157 0.911 . . . . 0.0 110.047 -179.642 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -88.18 -13.43 41.18 Favored 'General case' 0 C--N 1.323 -0.573 0 O-C-N 124.605 1.191 . . . . 0.0 108.996 179.124 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 77' ' ' TRP . . . . . 0.608 ' CE3' ' CE2' ' A' ' 27' ' ' TYR . 27.7 t90 -90.15 -43.71 10.26 Favored 'General case' 0 C--N 1.324 -0.535 0 N-CA-C 106.458 -1.682 . . . . 0.0 106.458 178.774 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 78' ' ' VAL . . . . . 0.72 HG23 ' CE2' ' A' ' 27' ' ' TYR . 0.9 OUTLIER -61.91 -50.91 78.24 Favored 'Isoleucine or valine' 0 CA--C 1.544 0.718 0 N-CA-C 105.977 -1.861 . . . . 0.0 105.977 176.702 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 79' ' ' LEU . . . . . 0.567 ' N ' HG12 ' A' ' 78' ' ' VAL . 1.5 tp -57.92 -64.42 0.91 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 113.459 -1.7 . . . . 0.0 109.37 -179.658 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 31.2 t -112.56 123.49 50.41 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.385 1.053 . . . . 0.0 110.144 -179.914 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 81' ' ' GLN . . . . . . . . . . . . . 2.4 mt-30 -51.43 -76.53 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.15 0.906 . . . . 0.0 110.182 -179.95 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--N 1.326 -0.451 0 O-C-N 124.535 1.147 . . . . 0.0 109.278 179.889 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 2' ' ' ASP . . . . . 0.477 ' N ' ' CD ' ' A' ' 3' ' ' PRO . 0.3 OUTLIER . . . . . 0 N--CA 1.452 -0.328 0 N-CA-C 110.091 -0.337 . . . . 0.0 110.091 . . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 3' ' ' PRO . . . . . 0.477 ' CD ' ' N ' ' A' ' 2' ' ' ASP . 25.6 Cg_endo -80.76 -26.95 3.44 Favored 'Trans proline' 0 C--N 1.358 1.032 0 O-C-N 124.476 1.777 . . . . 0.0 110.516 -179.654 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 12.8 tm-20 -81.14 -19.96 42.38 Favored 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.686 1.241 . . . . 0.0 109.953 179.061 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 5.2 t -91.63 -27.12 4.88 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.52 0 O-C-N 124.476 1.11 . . . . 0.0 109.106 179.889 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 6' ' ' LEU . . . . . 0.416 ' HA ' ' HB2' ' A' ' 9' ' ' ASN . 3.7 tt -83.2 -33.1 26.22 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.619 1.199 . . . . 0.0 107.927 178.821 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 7' ' ' PHE . . . . . 0.66 ' CD2' ' HB3' ' A' ' 12' ' ' CYS . 7.9 t80 -62.71 -47.31 84.16 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 114.323 -1.308 . . . . 0.0 110.68 179.469 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 8.7 tttt -86.29 -15.72 39.77 Favored 'General case' 0 C--N 1.327 -0.402 0 O-C-N 124.837 1.336 . . . . 0.0 111.9 -178.93 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 9' ' ' ASN . . . . . 0.416 ' HB2' ' HA ' ' A' ' 6' ' ' LEU . 0.1 OUTLIER -52.83 -64.81 0.7 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.35 1.031 . . . . 0.0 108.864 179.931 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 1.3 ptpp? 175.23 80.43 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.674 1.234 . . . . 0.0 109.089 179.707 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 140.03 97.01 0.33 Allowed Glycine 0 CA--C 1.531 1.076 0 O-C-N 124.649 1.218 . . . . 0.0 111.754 179.846 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 12' ' ' CYS . . . . . 0.66 ' HB3' ' CD2' ' A' ' 7' ' ' PHE . 3.7 m 140.67 -64.27 0.0 OUTLIER 'General case' 0 CA--C 1.558 1.264 0 N-CA-C 104.806 -2.294 . . . . 0.0 104.806 -179.575 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 13' ' ' VAL . . . . . 0.597 ' HB ' ' CE1' ' A' ' 7' ' ' PHE . 1.8 p -69.21 -8.33 9.95 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.537 0 O-C-N 125.51 1.756 . . . . 0.0 110.974 178.967 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -48.08 -32.24 6.53 Favored 'General case' 0 CA--C 1.541 0.61 0 O-C-N 126.502 2.376 . . . . 0.0 106.522 177.984 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 15' ' ' CYS . . . . . 0.405 ' HB3' HG21 ' A' ' 23' ' ' VAL . 0.0 OUTLIER -152.1 24.7 0.64 Allowed 'General case' 0 C--O 1.238 0.474 0 CA-C-N 113.858 -1.519 . . . . 0.0 111.849 178.77 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 16' ' ' HIS . . . . . 0.446 ' HB2' ' O ' ' A' ' 12' ' ' CYS . 33.3 m-70 -120.39 -179.02 3.83 Favored 'General case' 0 N--CA 1.445 -0.71 0 CA-C-O 122.737 1.256 . . . . 0.0 113.968 179.934 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -158.13 171.58 19.96 Favored 'General case' 0 CA--C 1.54 0.577 0 CA-C-N 113.285 -1.78 . . . . 0.0 108.511 179.49 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 18' ' ' ILE . . . . . 0.629 HD13 ' CB ' ' A' ' 27' ' ' TYR . 0.2 OUTLIER -134.86 53.76 0.33 Allowed 'Isoleucine or valine' 0 CA--C 1.541 0.605 0 N-CA-C 107.511 -1.292 . . . . 0.0 107.511 178.314 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 1.9 p30 160.7 -19.29 0.0 OUTLIER 'General case' 0 N--CA 1.451 -0.397 0 CA-C-N 113.621 -1.627 . . . . 0.0 111.545 178.627 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -127.03 175.31 8.2 Favored 'General case' 0 C--N 1.324 -0.531 0 O-C-N 124.3 1.0 . . . . 0.0 111.232 -179.275 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 5.2 ptmm? -118.14 142.08 47.81 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 114.895 -1.048 . . . . 0.0 109.927 -179.786 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 22' ' ' MET . . . . . . . . . . . . . 20.9 mtt -139.77 -89.94 0.19 Allowed 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 114.911 -1.04 . . . . 0.0 110.272 179.46 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 23' ' ' VAL . . . . . 0.405 HG21 ' HB3' ' A' ' 15' ' ' CYS . 2.7 t -101.09 -37.31 5.34 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 N-CA-C 107.942 -1.133 . . . . 0.0 107.942 178.416 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -114.09 -168.39 16.36 Favored Glycine 0 CA--C 1.532 1.125 0 O-C-N 124.847 1.342 . . . . 0.0 111.354 -179.723 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 25' ' ' PRO . . . . . . . . . . . . . 87.4 Cg_endo -81.07 141.55 13.13 Favored 'Trans proline' 0 N--CA 1.448 -1.192 0 C-N-CA 122.167 1.911 . . . . 0.0 113.528 -178.885 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -63.51 131.57 48.53 Favored 'General case' 0 C--N 1.325 -0.489 0 N-CA-C 105.844 -1.91 . . . . 0.0 105.844 175.588 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 27' ' ' TYR . . . . . 0.737 ' CE2' HG23 ' A' ' 78' ' ' VAL . 5.9 m-85 -59.29 -19.73 48.52 Favored 'General case' 0 C--N 1.324 -0.537 0 O-C-N 124.813 1.321 . . . . 0.0 110.511 -178.892 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 1.2 tttt -80.41 -39.16 28.84 Favored 'General case' 0 CA--C 1.536 0.408 0 O-C-N 124.443 1.09 . . . . 0.0 109.954 179.941 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 29' ' ' ASP . . . . . 0.531 ' HB3' ' CH2' ' A' ' 56' ' ' TRP . 0.2 OUTLIER -65.4 -34.05 77.39 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.74 1.275 . . . . 0.0 108.162 179.582 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 30' ' ' VAL . . . . . 0.627 HG11 HG13 ' A' ' 78' ' ' VAL . 6.9 t -73.16 -31.63 35.45 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.544 0 N-CA-C 106.883 -1.525 . . . . 0.0 106.883 177.457 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 31' ' ' ALA . . . . . 0.546 ' HA ' ' HB2' ' A' ' 35' ' ' ALA . . . -89.37 15.33 9.32 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 114.022 -1.445 . . . . 0.0 109.644 179.091 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -129.55 2.99 5.03 Favored 'General case' 0 CA--C 1.537 0.446 0 O-C-N 124.064 0.853 . . . . 0.0 111.272 179.407 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -135.86 -24.46 1.31 Allowed 'General case' 0 N--CA 1.449 -0.484 0 O-C-N 124.781 1.301 . . . . 0.0 113.875 179.566 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 1.6 t80 -125.3 -1.32 7.61 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 123.805 0.691 . . . . 0.0 112.266 179.851 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 35' ' ' ALA . . . . . 0.546 ' HB2' ' HA ' ' A' ' 31' ' ' ALA . . . -76.3 -179.83 5.34 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.304 1.003 . . . . 0.0 108.968 179.051 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 49.17 23.76 4.26 Favored Glycine 0 CA--C 1.531 1.034 0 O-C-N 124.384 1.052 . . . . 0.0 111.14 179.972 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 13.0 mm100 -135.84 -63.57 0.65 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.418 0.717 . . . . 0.0 110.344 -179.553 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . 56.02 -163.94 0.15 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.484 1.115 . . . . 0.0 109.239 -179.851 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 112.27 -37.7 3.56 Favored Glycine 0 CA--C 1.529 0.939 0 O-C-N 124.508 1.13 . . . . 0.0 110.936 -179.838 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -80.24 -95.04 0.04 OUTLIER 'General case' 0 C--N 1.326 -0.415 0 O-C-N 124.504 0.767 . . . . 0.0 109.484 -179.993 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER 51.06 18.81 0.59 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.175 0.922 . . . . 0.0 111.444 -179.508 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -124.61 -56.66 1.59 Allowed 'General case' 0 C--N 1.324 -0.509 0 N-CA-C 106.966 -1.494 . . . . 0.0 106.966 177.787 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 43' ' ' GLU . . . . . 0.435 ' HA ' ' HB3' ' A' ' 46' ' ' GLN . 3.9 tt0 -86.5 -4.59 59.2 Favored 'General case' 0 CA--C 1.542 0.642 0 O-C-N 125.346 1.654 . . . . 0.0 110.021 176.573 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 1.3 tm? -90.05 -34.28 16.0 Favored 'General case' 0 C--N 1.325 -0.478 0 N-CA-C 107.475 -1.305 . . . . 0.0 107.475 177.416 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -76.7 -23.0 53.14 Favored 'General case' 0 CA--C 1.537 0.471 0 O-C-N 124.919 1.387 . . . . 0.0 107.662 176.95 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 46' ' ' GLN . . . . . 0.435 ' HB3' ' HA ' ' A' ' 43' ' ' GLU . 5.0 tt0 -76.62 -21.95 54.81 Favored 'General case' 0 CA--C 1.536 0.422 0 CA-C-N 114.166 -1.379 . . . . 0.0 109.484 179.727 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 10.4 mmt180 -70.31 -36.49 74.34 Favored 'General case' 0 CA--C 1.545 0.751 0 O-C-N 125.36 1.663 . . . . 0.0 107.524 176.988 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 18.3 mt -78.52 -9.65 12.44 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 125.27 1.606 . . . . 0.0 111.12 179.694 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -118.16 -5.62 10.91 Favored 'General case' 0 N--CA 1.451 -0.38 0 O-C-N 123.903 0.752 . . . . 0.0 112.884 -178.385 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 50' ' ' ASN . . . . . 0.468 ' HA ' ' HB3' ' A' ' 63' ' ' PRO . 0.8 OUTLIER -138.02 -4.62 1.72 Allowed 'General case' 0 N--CA 1.45 -0.462 0 O-C-N 124.767 1.292 . . . . 0.0 113.027 -178.897 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 83.79 162.91 34.39 Favored Glycine 0 CA--C 1.53 0.988 0 O-C-N 124.108 0.88 . . . . 0.0 111.484 179.637 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -137.27 138.02 39.63 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.442 0.73 . . . . 0.0 109.782 179.803 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 53' ' ' GLN . . . . . 0.419 ' HB3' ' HB3' ' A' ' 60' ' ' PRO . 2.5 pt20 -141.3 90.9 2.34 Favored 'General case' 0 C--N 1.324 -0.53 0 O-C-N 124.551 1.157 . . . . 0.0 110.362 -179.838 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 129.73 66.53 0.11 Allowed Glycine 0 CA--C 1.532 1.095 0 O-C-N 124.441 1.088 . . . . 0.0 110.925 -179.985 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 55' ' ' VAL . . . . . 0.465 HG12 ' CD1' ' A' ' 56' ' ' TRP . 13.3 t -138.38 -76.98 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.63 0.841 . . . . 0.0 109.45 -179.885 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 56' ' ' TRP . . . . . 0.531 ' CH2' ' HB3' ' A' ' 29' ' ' ASP . 3.0 m95 -97.57 -26.51 14.77 Favored 'General case' 0 C--N 1.327 -0.401 0 O-C-N 124.452 1.095 . . . . 0.0 108.366 179.934 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 168.98 -156.42 27.71 Favored Glycine 0 CA--C 1.529 0.968 0 O-C-N 124.418 1.073 . . . . 0.0 111.146 179.77 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 58' ' ' PRO . . . . . . . . . . . . . 19.4 Cg_endo -72.34 -160.27 0.09 OUTLIER 'Trans proline' 0 C--N 1.36 1.167 0 O-C-N 124.561 1.822 . . . . 0.0 110.869 -179.956 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 59' ' ' ILE . . . . . . . . . . . . . 0.3 OUTLIER 60.22 83.54 0.21 Allowed Pre-proline 0 C--N 1.326 -0.439 0 O-C-N 124.578 1.174 . . . . 0.0 109.168 -179.934 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 60' ' ' PRO . . . . . 0.419 ' HB3' ' HB3' ' A' ' 53' ' ' GLN . 18.1 Cg_endo -74.36 160.99 41.16 Favored 'Trans proline' 0 C--N 1.36 1.178 0 O-C-N 124.481 1.78 . . . . 0.0 111.068 -179.553 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 61' ' ' MET . . . . . . . . . . . . . 10.1 ttp -90.05 113.46 57.28 Favored Pre-proline 0 C--N 1.325 -0.458 0 O-C-N 124.533 1.146 . . . . 0.0 110.9 179.994 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 62' ' ' PRO . . . . . . . . . . . . . 6.8 Cg_exo -49.18 109.7 0.29 Allowed 'Trans proline' 0 C--N 1.362 1.253 0 O-C-N 124.527 1.804 . . . . 0.0 110.753 -179.527 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 63' ' ' PRO . . . . . 0.468 ' HB3' ' HA ' ' A' ' 50' ' ' ASN . 17.9 Cg_exo -48.37 108.59 0.19 Allowed 'Trans proline' 0 C--N 1.361 1.216 0 O-C-N 124.461 1.769 . . . . 0.0 110.774 -179.815 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 64' ' ' ASN . . . . . 0.402 HD22 ' HA ' ' A' ' 64' ' ' ASN . 5.9 t-20 -79.31 -43.13 24.22 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.604 1.19 . . . . 0.0 109.787 -179.634 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . 65.4 97.56 0.05 OUTLIER 'General case' 0 C--N 1.324 -0.533 0 O-C-N 124.439 1.087 . . . . 0.0 109.618 -179.944 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 66' ' ' VAL . . . . . 0.457 HG21 ' HB2' ' A' ' 71' ' ' ALA . 0.5 OUTLIER -102.73 -146.85 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.331 1.019 . . . . 0.0 109.171 179.824 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 18.8 t -109.15 25.95 11.2 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.37 1.044 . . . . 0.0 110.108 -179.914 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER 45.77 32.06 1.16 Allowed 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.651 1.219 . . . . 0.0 110.149 179.971 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 34.3 t70 -141.33 -68.25 0.39 Allowed 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 114.579 -1.191 . . . . 0.0 108.309 179.073 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 70' ' ' GLU . . . . . 0.425 ' O ' HD12 ' A' ' 74' ' ' LEU . 0.2 OUTLIER -54.02 -23.65 14.22 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.878 1.361 . . . . 0.0 108.963 178.127 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 71' ' ' ALA . . . . . 0.457 ' HB2' HG21 ' A' ' 66' ' ' VAL . . . -80.27 -46.72 15.72 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 114.487 -1.233 . . . . 0.0 108.669 179.141 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 1.2 tt0 -50.57 -24.04 2.96 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.709 1.256 . . . . 0.0 110.576 179.816 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 73' ' ' THR . . . . . 0.418 HG22 ' N ' ' A' ' 74' ' ' LEU . 0.5 OUTLIER -72.9 -52.18 15.7 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.483 1.115 . . . . 0.0 110.178 179.774 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 74' ' ' LEU . . . . . 0.425 HD12 ' O ' ' A' ' 70' ' ' GLU . 1.1 mp -74.58 -9.84 58.97 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.566 1.166 . . . . 0.0 110.352 179.643 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -79.82 -25.93 40.67 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.271 0.982 . . . . 0.0 109.319 -179.972 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 2.1 pttp -87.23 -19.17 28.74 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.701 1.251 . . . . 0.0 109.648 179.736 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 77' ' ' TRP . . . . . 0.517 ' CE3' ' CE2' ' A' ' 27' ' ' TYR . 29.5 t90 -83.48 -42.11 17.27 Favored 'General case' 0 C--N 1.324 -0.513 0 N-CA-C 106.687 -1.597 . . . . 0.0 106.687 179.069 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 78' ' ' VAL . . . . . 0.737 HG23 ' CE2' ' A' ' 27' ' ' TYR . 0.9 OUTLIER -61.28 -52.14 64.86 Favored 'Isoleucine or valine' 0 CA--C 1.543 0.675 0 N-CA-C 106.156 -1.794 . . . . 0.0 106.156 177.282 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 79' ' ' LEU . . . . . 0.554 ' N ' HG12 ' A' ' 78' ' ' VAL . 3.5 mt -51.03 -70.3 0.09 Allowed 'General case' 0 N--CA 1.451 -0.413 0 O-C-N 125.218 1.574 . . . . 0.0 108.977 179.753 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 2.1 m -85.36 -133.21 0.05 Allowed 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 114.213 -1.358 . . . . 0.0 109.289 -179.901 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 81' ' ' GLN . . . . . . . . . . . . . 13.4 tt0 -154.85 -43.89 0.09 Allowed 'General case' 0 C--N 1.324 -0.53 0 O-C-N 124.325 1.015 . . . . 0.0 110.606 179.987 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 4.6 tttt . . . . . 0 C--N 1.326 -0.446 0 O-C-N 124.339 1.024 . . . . 0.0 109.09 179.995 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 2' ' ' ASP . . . . . 0.449 ' N ' ' HD3' ' A' ' 3' ' ' PRO . 0.3 OUTLIER . . . . . 0 N--CA 1.453 -0.28 0 N-CA-C 109.06 -0.719 . . . . 0.0 109.06 . . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 3' ' ' PRO . . . . . 0.525 ' HB2' ' CG ' ' A' ' 77' ' ' TRP . 37.9 Cg_endo -84.32 -25.32 2.18 Favored 'Trans proline' 0 C--N 1.358 1.045 0 O-C-N 124.653 1.87 . . . . 0.0 109.859 179.988 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 20.3 mt-10 -81.08 -20.96 40.41 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.855 1.347 . . . . 0.0 109.461 178.524 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 5' ' ' VAL . . . . . 0.432 ' HB ' ' HB2' ' A' ' 2' ' ' ASP . 0.9 OUTLIER -85.69 -35.95 10.16 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.801 1.313 . . . . 0.0 108.619 179.227 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 6' ' ' LEU . . . . . 0.453 ' HG ' HD21 ' A' ' 74' ' ' LEU . 15.2 tp -73.32 -38.59 65.75 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.588 1.18 . . . . 0.0 108.727 179.394 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 7' ' ' PHE . . . . . 0.671 ' CD2' ' HB3' ' A' ' 12' ' ' CYS . 1.3 t80 -71.37 -14.78 62.29 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.682 1.239 . . . . 0.0 110.94 179.382 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 37.6 tttt -115.42 12.84 16.39 Favored 'General case' 0 C--N 1.326 -0.42 0 O-C-N 124.239 0.962 . . . . 0.0 111.748 -179.239 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 9' ' ' ASN . . . . . 0.41 HD22 ' HA ' ' A' ' 9' ' ' ASN . 2.2 m120 -95.22 40.64 1.1 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.149 0.906 . . . . 0.0 108.629 179.375 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER 62.66 69.1 0.61 Allowed 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 114.569 -1.196 . . . . 0.0 108.718 -179.72 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 158.88 93.67 0.1 OUTLIER Glycine 0 CA--C 1.532 1.124 0 O-C-N 124.577 1.173 . . . . 0.0 111.374 -179.708 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 12' ' ' CYS . . . . . 0.671 ' HB3' ' CD2' ' A' ' 7' ' ' PHE . 12.1 m 133.89 -60.21 0.0 OUTLIER 'General case' 0 CA--C 1.556 1.174 0 N-CA-C 104.664 -2.347 . . . . 0.0 104.664 -178.993 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 13' ' ' VAL . . . . . 0.662 HG23 ' CZ ' ' A' ' 7' ' ' PHE . 0.5 OUTLIER -71.02 -5.8 6.28 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 125.524 1.765 . . . . 0.0 110.218 177.899 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -46.93 -30.21 2.44 Favored 'General case' 0 CA--C 1.541 0.621 0 O-C-N 126.223 2.202 . . . . 0.0 106.649 177.426 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 15' ' ' CYS . . . . . 0.426 ' N ' ' C ' ' A' ' 13' ' ' VAL . 0.8 OUTLIER -167.96 37.66 0.03 OUTLIER 'General case' 0 C--O 1.238 0.49 0 O-C-N 125.594 1.809 . . . . 0.0 113.849 178.321 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 16' ' ' HIS . . . . . 0.503 ' CE1' ' HD2' ' A' ' 25' ' ' PRO . 4.6 m-70 -108.93 -99.93 0.38 Allowed 'General case' 0 N--CA 1.452 -0.361 0 N-CA-C 113.972 1.101 . . . . 0.0 113.972 179.83 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 17' ' ' ALA . . . . . 0.418 ' HB3' ' O ' ' A' ' 16' ' ' HIS . . . 102.37 152.11 0.01 OUTLIER 'General case' 0 CA--C 1.545 0.78 0 N-CA-C 107.178 -1.415 . . . . 0.0 107.178 -176.916 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 18' ' ' ILE . . . . . 0.617 HD12 ' O ' ' A' ' 18' ' ' ILE . 0.5 OUTLIER -99.81 -24.93 4.01 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.44 0 O-C-N 125.021 1.451 . . . . 0.0 112.299 -178.075 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 28.0 t0 -136.56 27.98 3.03 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.414 1.071 . . . . 0.0 109.191 179.754 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -144.96 159.67 42.56 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.609 1.193 . . . . 0.0 110.131 179.71 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 21' ' ' LYS . . . . . 0.453 ' CB ' ' NZ ' ' A' ' 21' ' ' LYS . 1.0 OUTLIER -112.73 165.51 12.22 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.546 1.154 . . . . 0.0 109.163 179.999 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 22' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -175.08 -88.56 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.428 0 O-C-N 124.473 1.108 . . . . 0.0 110.691 179.839 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 1.5 t -112.97 -36.81 2.57 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.378 1.049 . . . . 0.0 108.83 179.746 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -111.98 173.52 15.63 Favored Glycine 0 CA--C 1.532 1.135 0 CA-C-N 114.569 -1.196 . . . . 0.0 111.432 -179.183 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 25' ' ' PRO . . . . . 0.503 ' HD2' ' CE1' ' A' ' 16' ' ' HIS . 58.9 Cg_endo -72.06 146.74 47.37 Favored 'Trans proline' 0 C--N 1.359 1.117 0 C-N-CA 121.976 1.784 . . . . 0.0 111.684 -179.342 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -78.76 142.16 37.23 Favored 'General case' 0 C--N 1.325 -0.49 0 N-CA-C 106.688 -1.597 . . . . 0.0 106.688 177.11 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 27' ' ' TYR . . . . . 0.648 ' CE2' ' CE3' ' A' ' 77' ' ' TRP . 11.8 m-85 -68.33 -18.38 64.48 Favored 'General case' 0 C--N 1.323 -0.559 0 O-C-N 124.725 1.266 . . . . 0.0 111.817 -178.443 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 34.6 tttt -86.68 -22.06 26.32 Favored 'General case' 0 C--N 1.326 -0.424 0 O-C-N 124.536 1.147 . . . . 0.0 109.893 -179.999 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 29' ' ' ASP . . . . . 0.42 ' HB3' ' CH2' ' A' ' 56' ' ' TRP . 0.3 OUTLIER -82.29 -40.91 20.85 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.523 1.139 . . . . 0.0 107.97 178.356 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 4.1 t -64.36 -33.18 61.07 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.909 1.381 . . . . 0.0 107.512 178.153 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -71.33 -32.03 68.09 Favored 'General case' 0 CA--C 1.535 0.377 0 O-C-N 124.893 1.371 . . . . 0.0 108.234 178.697 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -91.4 16.28 10.51 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 114.644 -1.162 . . . . 0.0 111.268 -179.566 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -129.5 -82.09 0.56 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.303 1.002 . . . . 0.0 108.738 179.071 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 0.7 OUTLIER -66.72 -29.11 69.02 Favored 'General case' 0 C--N 1.326 -0.428 0 O-C-N 124.508 1.13 . . . . 0.0 110.642 179.384 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . 53.28 -155.48 0.2 Allowed 'General case' 0 C--N 1.327 -0.402 0 O-C-N 124.824 1.328 . . . . 0.0 108.708 179.74 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . -89.43 44.31 3.06 Favored Glycine 0 CA--C 1.533 1.166 0 O-C-N 124.656 1.223 . . . . 0.0 110.547 179.443 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 37' ' ' GLN . . . . . 0.481 HE21 ' HA ' ' A' ' 37' ' ' GLN . 0.5 OUTLIER -54.89 -31.39 59.85 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.483 0.755 . . . . 0.0 110.086 -179.882 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . 50.56 49.98 19.74 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.485 1.116 . . . . 0.0 110.198 179.423 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . -149.66 22.71 1.18 Allowed Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.482 1.114 . . . . 0.0 110.763 179.585 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -162.68 76.03 0.43 Allowed 'General case' 0 C--N 1.327 -0.407 0 O-C-N 124.577 0.81 . . . . 0.0 110.063 -179.748 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 41' ' ' GLU . . . . . 0.478 ' HA ' ' HB3' ' A' ' 44' ' ' LEU . 38.9 mt-10 -129.4 -28.75 2.28 Favored 'General case' 0 N--CA 1.452 -0.368 0 O-C-N 124.485 1.116 . . . . 0.0 113.319 -179.552 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -74.47 -64.86 0.94 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.223 0.952 . . . . 0.0 109.828 -179.157 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 5.7 pt-20 -77.11 -0.17 23.83 Favored 'General case' 0 CA--C 1.537 0.471 0 O-C-N 124.648 1.218 . . . . 0.0 110.617 178.244 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 44' ' ' LEU . . . . . 0.496 ' CD1' HD23 ' A' ' 79' ' ' LEU . 0.2 OUTLIER -84.98 -34.0 22.49 Favored 'General case' 0 C--N 1.323 -0.563 0 N-CA-C 106.346 -1.724 . . . . 0.0 106.346 176.657 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -73.6 -24.99 60.12 Favored 'General case' 0 N--CA 1.452 -0.364 0 CA-C-N 113.92 -1.491 . . . . 0.0 108.883 178.17 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 46' ' ' GLN . . . . . . . . . . . . . 5.7 tt0 -76.49 -21.72 55.45 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 114.612 -1.177 . . . . 0.0 109.968 -179.468 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 47' ' ' ARG . . . . . 0.414 ' HG3' ' HA ' ' A' ' 52' ' ' SER . 0.0 OUTLIER -77.09 -32.99 57.04 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 125.32 1.638 . . . . 0.0 108.56 177.79 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 48' ' ' ILE . . . . . 0.408 ' HA ' ' HE1' ' A' ' 61' ' ' MET . 49.5 mt -63.15 -24.35 35.72 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 125.12 1.513 . . . . 0.0 109.313 178.876 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 49' ' ' LYS . . . . . 0.406 ' HB2' ' HA ' ' A' ' 65' ' ' ALA . 5.7 pttt -120.03 4.97 10.87 Favored 'General case' 0 N--CA 1.449 -0.484 0 O-C-N 124.301 1.001 . . . . 0.0 113.163 -177.925 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 3.5 t-20 -139.45 8.02 2.39 Favored 'General case' 0 C--N 1.326 -0.432 0 O-C-N 124.144 0.903 . . . . 0.0 111.628 -179.968 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 76.03 146.97 1.89 Allowed Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.149 0.906 . . . . 0.0 112.077 179.358 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 52' ' ' SER . . . . . 0.414 ' HA ' ' HG3' ' A' ' 47' ' ' ARG . 0.9 OUTLIER -78.84 -19.68 51.45 Favored 'General case' 0 C--N 1.326 -0.415 0 O-C-N 124.399 0.705 . . . . 0.0 110.737 179.929 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 53' ' ' GLN . . . . . 0.426 ' HA ' ' HB3' ' A' ' 60' ' ' PRO . 0.2 OUTLIER 74.65 18.9 2.69 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.458 1.099 . . . . 0.0 111.042 -179.968 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 92.15 91.41 1.44 Allowed Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.415 1.072 . . . . 0.0 111.529 179.603 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 55' ' ' VAL . . . . . 0.635 HG12 ' CD1' ' A' ' 56' ' ' TRP . 37.1 t -108.54 -41.48 5.17 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.499 0.764 . . . . 0.0 109.116 179.753 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 56' ' ' TRP . . . . . 0.635 ' CD1' HG12 ' A' ' 55' ' ' VAL . 7.0 m95 -109.44 27.72 9.26 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.529 1.143 . . . . 0.0 108.113 179.656 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 129.74 -155.06 20.73 Favored Glycine 0 CA--C 1.529 0.925 0 O-C-N 124.595 1.185 . . . . 0.0 111.167 179.866 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 58' ' ' PRO . . . . . . . . . . . . . 16.0 Cg_endo -77.9 -159.51 0.1 Allowed 'Trans proline' 0 C--N 1.359 1.131 0 O-C-N 124.382 1.727 . . . . 0.0 111.319 -179.322 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 59' ' ' ILE . . . . . 0.425 HG23 ' O ' ' A' ' 59' ' ' ILE . 0.0 OUTLIER 44.6 84.86 0.18 Allowed Pre-proline 0 C--N 1.325 -0.482 0 O-C-N 124.614 1.196 . . . . 0.0 111.327 179.899 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 60' ' ' PRO . . . . . 0.426 ' HB3' ' HA ' ' A' ' 53' ' ' GLN . 13.4 Cg_endo -66.47 152.97 79.69 Favored 'Trans proline' 0 C--N 1.367 1.545 0 O-C-N 123.808 1.425 . . . . 0.0 110.853 179.48 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 61' ' ' MET . . . . . 0.408 ' HE1' ' HA ' ' A' ' 48' ' ' ILE . 6.2 ttp -62.86 113.94 10.74 Favored Pre-proline 0 C--N 1.325 -0.462 0 O-C-N 124.591 1.182 . . . . 0.0 111.433 -179.862 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 62' ' ' PRO . . . . . . . . . . . . . 14.0 Cg_exo -54.1 110.91 0.57 Allowed 'Trans proline' 0 C--N 1.36 1.163 0 O-C-N 124.536 1.808 . . . . 0.0 110.019 178.935 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 63' ' ' PRO . . . . . . . . . . . . . 24.3 Cg_exo -44.07 102.28 0.04 OUTLIER 'Trans proline' 0 C--N 1.358 1.051 0 O-C-N 124.679 1.884 . . . . 0.0 111.051 -179.382 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 5.7 t-20 -69.23 -35.42 76.13 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.34 1.025 . . . . 0.0 110.615 -179.067 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 65' ' ' ALA . . . . . 0.406 ' HA ' ' HB2' ' A' ' 49' ' ' LYS . . . 64.91 80.62 0.23 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.438 1.087 . . . . 0.0 109.105 -179.584 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 66' ' ' VAL . . . . . 0.425 HG12 ' HB3' ' A' ' 70' ' ' GLU . 0.3 OUTLIER -103.11 -15.74 7.84 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.385 1.053 . . . . 0.0 110.583 -179.894 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER 84.67 165.85 0.1 Allowed 'General case' 0 C--N 1.323 -0.544 0 O-C-N 124.462 1.101 . . . . 0.0 109.73 -179.508 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 68' ' ' ASP . . . . . 0.422 ' O ' ' CB ' ' A' ' 69' ' ' ASP . 0.8 OUTLIER -70.29 141.4 52.37 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.524 1.14 . . . . 0.0 110.766 -179.134 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 69' ' ' ASP . . . . . 0.422 ' CB ' ' O ' ' A' ' 68' ' ' ASP . 4.0 t0 88.64 -36.95 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.443 1.089 . . . . 0.0 110.394 179.764 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 70' ' ' GLU . . . . . 0.425 ' HB3' HG12 ' A' ' 66' ' ' VAL . 4.2 mt-10 -79.05 -32.11 44.74 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.629 1.206 . . . . 0.0 108.3 178.694 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -87.64 -31.71 19.64 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 113.952 -1.476 . . . . 0.0 108.365 178.412 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 6.7 tp60 -57.65 -34.89 69.84 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.799 1.312 . . . . 0.0 110.324 179.731 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 1.1 m -70.15 -47.96 59.41 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.563 1.165 . . . . 0.0 110.46 -179.959 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 74' ' ' LEU . . . . . 0.453 HD21 ' HG ' ' A' ' 6' ' ' LEU . 2.9 mt -78.99 2.9 18.8 Favored 'General case' 0 N--CA 1.449 -0.487 0 O-C-N 124.45 1.093 . . . . 0.0 111.461 -179.481 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -100.12 -28.16 13.18 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.281 0.988 . . . . 0.0 110.573 -179.725 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 8.1 pttp -85.26 -16.32 40.56 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.596 1.185 . . . . 0.0 110.017 -179.912 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 77' ' ' TRP . . . . . 0.648 ' CE3' ' CE2' ' A' ' 27' ' ' TYR . 33.5 t90 -86.6 -38.82 16.74 Favored 'General case' 0 C--N 1.323 -0.544 0 N-CA-C 106.696 -1.594 . . . . 0.0 106.696 178.876 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 78' ' ' VAL . . . . . 0.645 HG23 ' CE2' ' A' ' 27' ' ' TYR . 1.0 OUTLIER -63.79 -54.31 33.62 Favored 'Isoleucine or valine' 0 CA--C 1.542 0.654 0 N-CA-C 106.675 -1.602 . . . . 0.0 106.675 177.134 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 79' ' ' LEU . . . . . 0.611 ' N ' HG12 ' A' ' 78' ' ' VAL . 0.3 OUTLIER -62.45 -69.68 0.24 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 113.964 -1.471 . . . . 0.0 109.241 -179.271 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -85.57 113.31 21.71 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.442 1.089 . . . . 0.0 109.756 179.69 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 81' ' ' GLN . . . . . . . . . . . . . 14.5 pt20 -51.4 -41.44 60.73 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.43 1.081 . . . . 0.0 110.707 -179.778 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.325 -0.467 0 O-C-N 124.443 1.089 . . . . 0.0 109.368 -179.993 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 2' ' ' ASP . . . . . 0.512 ' N ' ' HD3' ' A' ' 3' ' ' PRO . 2.3 m-20 . . . . . 0 N--CA 1.453 -0.323 0 N-CA-C 110.596 -0.15 . . . . 0.0 110.596 . . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 3' ' ' PRO . . . . . 0.512 ' HD3' ' N ' ' A' ' 2' ' ' ASP . 67.7 Cg_endo -82.62 -23.93 3.78 Favored 'Trans proline' 0 C--N 1.358 1.057 0 O-C-N 124.55 1.816 . . . . 0.0 109.536 178.441 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -80.79 -23.48 39.26 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.823 1.327 . . . . 0.0 109.211 178.632 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 5' ' ' VAL . . . . . 0.434 ' HB ' ' HB3' ' A' ' 2' ' ' ASP . 41.0 t -88.34 -25.85 5.79 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.424 0 O-C-N 124.754 1.284 . . . . 0.0 108.977 179.246 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 6' ' ' LEU . . . . . 0.458 HD13 ' O ' ' A' ' 6' ' ' LEU . 0.9 OUTLIER -81.61 -35.68 29.8 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 114.821 -1.081 . . . . 0.0 108.728 179.464 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 7' ' ' PHE . . . . . 0.8 ' CZ ' HG23 ' A' ' 13' ' ' VAL . 0.4 OUTLIER -68.84 -23.94 64.31 Favored 'General case' 0 C--N 1.327 -0.406 0 O-C-N 124.827 1.329 . . . . 0.0 111.083 179.864 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 2.1 mmmt -92.38 -10.72 37.11 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.556 1.16 . . . . 0.0 111.377 -178.901 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 4.1 t30 -47.65 -75.18 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.312 1.007 . . . . 0.0 110.166 -179.694 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 6.6 mttp 176.11 79.91 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.511 1.132 . . . . 0.0 109.621 179.805 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -179.99 -69.08 0.07 OUTLIER Glycine 0 CA--C 1.529 0.924 0 O-C-N 124.614 1.196 . . . . 0.0 111.735 179.926 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 12' ' ' CYS . . . . . 0.606 ' CB ' ' CD2' ' A' ' 7' ' ' PHE . 60.1 m -58.18 -59.73 4.85 Favored 'General case' 0 N--CA 1.449 -0.494 0 O-C-N 124.268 0.628 . . . . 0.0 110.571 -179.126 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 13' ' ' VAL . . . . . 0.8 HG23 ' CZ ' ' A' ' 7' ' ' PHE . 0.3 OUTLIER -62.19 -4.69 1.08 Allowed 'Isoleucine or valine' 0 CA--C 1.536 0.44 0 N-CA-C 114.084 1.142 . . . . 0.0 114.084 -176.869 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -52.03 -31.34 29.4 Favored 'General case' 0 CA--C 1.538 0.516 0 O-C-N 125.906 2.004 . . . . 0.0 108.164 179.619 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 3.6 p -157.29 16.86 0.27 Allowed 'General case' 0 N--CA 1.45 -0.451 0 O-C-N 125.208 1.567 . . . . 0.0 112.631 -179.515 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 16' ' ' HIS . . . . . 0.592 ' CE1' ' HD2' ' A' ' 25' ' ' PRO . 3.3 m-70 -94.27 -71.76 0.65 Allowed 'General case' 0 C--N 1.327 -0.404 0 N-CA-C 113.993 1.109 . . . . 0.0 113.993 -178.671 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 17' ' ' ALA . . . . . 0.547 ' HB1' HG23 ' A' ' 20' ' ' THR . . . 68.8 160.04 0.18 Allowed 'General case' 0 C--N 1.325 -0.476 0 N-CA-C 107.689 -1.226 . . . . 0.0 107.689 -176.686 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 18' ' ' ILE . . . . . 0.643 HD12 ' O ' ' A' ' 18' ' ' ILE . 0.5 OUTLIER -101.18 -22.41 4.74 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.399 0 O-C-N 124.135 0.897 . . . . 0.0 112.534 -178.398 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 18.4 t0 -133.96 23.34 3.88 Favored 'General case' 0 N--CA 1.45 -0.434 0 O-C-N 124.284 0.99 . . . . 0.0 112.402 -179.074 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 20' ' ' THR . . . . . 0.547 HG23 ' HB1' ' A' ' 17' ' ' ALA . 0.1 OUTLIER -146.07 157.96 43.86 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.288 0.993 . . . . 0.0 109.968 178.767 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 2.1 mtpp -116.3 163.04 16.6 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.546 1.154 . . . . 0.0 110.953 -178.951 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 22' ' ' MET . . . . . . . . . . . . . 1.6 mmm -170.93 -72.18 0.02 OUTLIER 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 114.737 -1.119 . . . . 0.0 110.442 179.934 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 1.8 t -122.83 -42.12 1.59 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.591 1.182 . . . . 0.0 108.99 179.184 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -105.82 166.48 14.17 Favored Glycine 0 CA--C 1.532 1.153 0 O-C-N 124.371 1.044 . . . . 0.0 111.778 -179.423 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 25' ' ' PRO . . . . . 0.592 ' HD2' ' CE1' ' A' ' 16' ' ' HIS . 73.5 Cg_endo -72.76 122.08 7.9 Favored 'Trans proline' 0 C--N 1.36 1.16 0 C-N-CA 122.291 1.994 . . . . 0.0 113.569 -179.12 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 26' ' ' ALA . . . . . 0.477 ' HB3' ' OD2' ' A' ' 29' ' ' ASP . . . -56.2 137.27 52.19 Favored 'General case' 0 C--N 1.325 -0.462 0 N-CA-C 106.959 -1.497 . . . . 0.0 106.959 176.977 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 27' ' ' TYR . . . . . 0.618 ' CZ ' ' CZ3' ' A' ' 77' ' ' TRP . 10.0 m-85 -64.13 -16.31 61.58 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.635 1.209 . . . . 0.0 113.233 -178.184 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 43.1 tttt -84.48 -27.81 27.2 Favored 'General case' 0 C--N 1.326 -0.416 0 O-C-N 124.381 1.051 . . . . 0.0 111.734 -179.04 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 29' ' ' ASP . . . . . 0.477 ' OD2' ' HB3' ' A' ' 26' ' ' ALA . 2.4 p30 -79.91 -33.6 39.68 Favored 'General case' 0 C--N 1.326 -0.417 0 O-C-N 124.699 1.249 . . . . 0.0 108.253 179.022 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 2.1 t -67.53 -35.46 73.26 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 N-CA-C 107.533 -1.284 . . . . 0.0 107.533 178.196 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 31' ' ' ALA . . . . . 0.549 ' HB1' ' OE1' ' A' ' 81' ' ' GLN . . . -74.94 -23.19 58.28 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 114.256 -1.338 . . . . 0.0 109.137 179.396 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -102.13 17.72 22.61 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.376 1.048 . . . . 0.0 110.771 -179.783 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 1.9 mmtt -129.28 -76.58 0.55 Allowed 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.43 1.082 . . . . 0.0 108.537 179.306 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -51.26 -44.43 61.76 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.835 1.335 . . . . 0.0 109.359 178.476 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . 51.61 64.25 1.92 Allowed 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 114.53 -1.213 . . . . 0.0 110.605 178.736 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 48.01 31.29 8.0 Favored Glycine 0 CA--C 1.529 0.923 0 O-C-N 124.544 1.152 . . . . 0.0 111.353 179.512 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 37' ' ' GLN . . . . . 0.413 ' HB2' HE21 ' A' ' 37' ' ' GLN . 0.7 OUTLIER -54.23 -58.13 8.53 Favored 'General case' 0 C--N 1.327 -0.41 0 O-C-N 124.483 0.754 . . . . 0.0 109.785 -179.953 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . 65.17 162.14 0.13 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.463 1.102 . . . . 0.0 111.051 178.977 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 117.1 -2.77 19.11 Favored Glycine 0 CA--C 1.529 0.956 0 CA-C-N 114.71 -1.132 . . . . 0.0 112.362 179.578 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -144.51 9.9 1.41 Allowed 'General case' 0 N--CA 1.451 -0.407 0 O-C-N 124.378 0.693 . . . . 0.0 112.21 -179.38 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 41' ' ' GLU . . . . . 0.636 ' HG3' HD12 ' A' ' 79' ' ' LEU . 0.0 OUTLIER -50.97 -16.7 0.47 Allowed 'General case' 0 C--N 1.323 -0.568 0 N-CA-C 113.55 0.944 . . . . 0.0 113.55 -179.308 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -75.49 -57.62 3.78 Favored 'General case' 0 C--N 1.323 -0.562 0 O-C-N 124.377 1.048 . . . . 0.0 109.371 -179.887 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 9.9 pm0 -81.04 4.1 20.9 Favored 'General case' 0 CA--C 1.536 0.404 0 O-C-N 124.437 1.085 . . . . 0.0 110.891 178.788 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 44' ' ' LEU . . . . . 0.5 ' HB3' ' HA ' ' A' ' 41' ' ' GLU . 1.1 tm? -92.98 -33.25 14.22 Favored 'General case' 0 C--N 1.324 -0.532 0 N-CA-C 106.458 -1.682 . . . . 0.0 106.458 177.187 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 45' ' ' ALA . . . . . 0.408 ' HA ' HG13 ' A' ' 48' ' ' ILE . . . -78.09 -24.78 47.47 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 113.869 -1.514 . . . . 0.0 108.114 177.808 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 46' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -77.08 -24.31 51.85 Favored 'General case' 0 CA--C 1.537 0.458 0 CA-C-N 114.231 -1.35 . . . . 0.0 109.248 179.881 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 2.3 mmt180 -71.42 -34.46 70.34 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 125.32 1.638 . . . . 0.0 108.695 177.828 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 48' ' ' ILE . . . . . 0.557 ' HB ' ' HB1' ' A' ' 71' ' ' ALA . 1.6 mt -64.2 -26.42 40.38 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.913 1.383 . . . . 0.0 110.418 179.521 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 49' ' ' LYS . . . . . 0.637 ' CG ' HG23 ' A' ' 66' ' ' VAL . 1.0 OUTLIER -118.36 7.8 12.05 Favored 'General case' 0 N--CA 1.448 -0.533 0 O-C-N 124.189 0.93 . . . . 0.0 113.364 -177.881 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 3.2 t-20 -135.36 -3.87 2.38 Favored 'General case' 0 N--CA 1.45 -0.448 0 O-C-N 124.358 1.036 . . . . 0.0 112.515 -179.376 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 77.1 151.63 4.43 Favored Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.095 0.872 . . . . 0.0 111.303 179.797 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -89.77 -148.6 0.19 Allowed 'General case' 0 C--N 1.324 -0.53 0 O-C-N 124.448 0.734 . . . . 0.0 109.628 179.926 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 44.9 mt-30 -135.93 -45.45 0.65 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.369 1.043 . . . . 0.0 110.365 -179.954 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 150.06 75.68 0.02 OUTLIER Glycine 0 CA--C 1.531 1.032 0 O-C-N 124.423 1.077 . . . . 0.0 110.75 -179.799 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 63.6 t -87.16 -49.33 14.85 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.513 0.772 . . . . 0.0 110.063 -179.59 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 56' ' ' TRP . . . . . . . . . . . . . 6.9 m95 -87.91 -25.78 23.05 Favored 'General case' 0 C--N 1.326 -0.42 0 O-C-N 124.491 1.12 . . . . 0.0 108.969 -179.525 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 57' ' ' GLY . . . . . 0.452 ' N ' ' HD2' ' A' ' 58' ' ' PRO . . . 135.25 -53.6 0.77 Allowed Glycine 0 CA--C 1.529 0.944 0 O-C-N 124.447 1.092 . . . . 0.0 112.718 179.695 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 58' ' ' PRO . . . . . 0.452 ' HD2' ' N ' ' A' ' 57' ' ' GLY . 33.9 Cg_exo -45.15 153.73 0.49 Allowed 'Trans proline' 0 C--N 1.359 1.124 0 O-C-N 124.48 1.779 . . . . 0.0 112.212 -178.722 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 59' ' ' ILE . . . . . 0.443 HG13 ' HD2' ' A' ' 60' ' ' PRO . 0.9 OUTLIER -50.93 138.54 24.25 Favored Pre-proline 0 C--N 1.327 -0.407 0 O-C-N 124.469 1.106 . . . . 0.0 109.515 -179.885 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 60' ' ' PRO . . . . . 0.443 ' HD2' HG13 ' A' ' 59' ' ' ILE . 6.8 Cg_exo -42.64 148.97 0.39 Allowed 'Trans proline' 0 C--N 1.359 1.114 0 O-C-N 124.595 1.84 . . . . 0.0 112.459 -179.396 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 61' ' ' MET . . . . . 0.437 ' HG3' ' HD2' ' A' ' 62' ' ' PRO . 5.9 ttp -64.27 139.07 97.61 Favored Pre-proline 0 C--N 1.327 -0.393 0 CA-C-N 114.905 -1.043 . . . . 0.0 111.554 -179.91 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 62' ' ' PRO . . . . . 0.437 ' HD2' ' HG3' ' A' ' 61' ' ' MET . 2.1 Cg_endo -49.79 131.27 28.87 Favored 'Trans proline' 0 C--N 1.361 1.218 0 O-C-N 124.669 1.879 . . . . 0.0 110.53 179.336 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 63' ' ' PRO . . . . . 0.427 ' HD3' ' HA ' ' A' ' 62' ' ' PRO . 28.5 Cg_endo -76.8 164.22 30.34 Favored 'Trans proline' 0 C--N 1.359 1.1 0 O-C-N 124.334 1.702 . . . . 0.0 111.813 -179.64 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 64' ' ' ASN . . . . . 0.509 HD22 ' H ' ' A' ' 65' ' ' ALA . 4.3 p-10 44.07 -149.17 0.06 Allowed 'General case' 0 C--N 1.326 -0.421 0 O-C-N 124.865 1.353 . . . . 0.0 110.57 179.673 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 65' ' ' ALA . . . . . 0.509 ' H ' HD22 ' A' ' 64' ' ' ASN . . . 79.95 18.83 0.66 Allowed 'General case' 0 C--N 1.326 -0.436 0 O-C-N 123.966 0.791 . . . . 0.0 110.4 -179.105 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 66' ' ' VAL . . . . . 0.637 HG23 ' CG ' ' A' ' 49' ' ' LYS . 0.0 OUTLIER -163.48 -170.12 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.374 1.047 . . . . 0.0 109.587 178.81 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 67' ' ' SER . . . . . 0.424 ' HA ' ' HE2' ' A' ' 49' ' ' LYS . 12.5 p -145.9 165.12 29.86 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 114.605 -1.18 . . . . 0.0 109.499 179.827 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 40.3 t0 -61.21 145.61 50.57 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.547 1.154 . . . . 0.0 108.898 179.775 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER 85.58 -34.82 0.05 OUTLIER 'General case' 0 C--N 1.323 -0.575 0 O-C-N 124.646 1.216 . . . . 0.0 110.142 -179.071 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 70' ' ' GLU . . . . . 0.567 ' O ' HD23 ' A' ' 74' ' ' LEU . 26.8 mm-40 -79.54 -31.38 42.06 Favored 'General case' 0 C--N 1.323 -0.558 0 O-C-N 124.609 1.193 . . . . 0.0 108.519 178.685 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 71' ' ' ALA . . . . . 0.557 ' HB1' ' HB ' ' A' ' 48' ' ' ILE . . . -87.77 -33.36 18.69 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.878 1.361 . . . . 0.0 108.077 178.455 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 5.2 tt0 -58.81 -42.28 88.75 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.719 1.262 . . . . 0.0 111.244 179.988 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 73' ' ' THR . . . . . 0.528 HG22 HD22 ' A' ' 74' ' ' LEU . 0.9 OUTLIER -69.75 -41.58 75.02 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.344 1.027 . . . . 0.0 110.419 -179.816 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 74' ' ' LEU . . . . . 0.567 HD23 ' O ' ' A' ' 70' ' ' GLU . 2.9 mm? -71.75 -19.37 62.04 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.569 1.168 . . . . 0.0 110.669 -179.355 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -83.68 -20.11 34.12 Favored 'General case' 0 C--N 1.326 -0.43 0 O-C-N 124.161 0.913 . . . . 0.0 110.218 -179.789 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 28.4 ttmt -83.51 -21.01 32.91 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.55 1.156 . . . . 0.0 109.875 -179.557 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 77' ' ' TRP . . . . . 0.618 ' CZ3' ' CZ ' ' A' ' 27' ' ' TYR . 35.3 t90 -87.9 -40.18 14.17 Favored 'General case' 0 C--N 1.324 -0.526 0 N-CA-C 106.719 -1.585 . . . . 0.0 106.719 178.986 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 78' ' ' VAL . . . . . 0.547 HG23 ' CZ ' ' A' ' 27' ' ' TYR . 1.2 t -57.82 -50.38 77.88 Favored 'Isoleucine or valine' 0 CA--C 1.544 0.742 0 N-CA-C 105.553 -2.017 . . . . 0.0 105.553 176.299 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 79' ' ' LEU . . . . . 0.636 HD12 ' HG3' ' A' ' 41' ' ' GLU . 0.1 OUTLIER -65.6 -82.01 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 113.592 -1.64 . . . . 0.0 108.311 179.007 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -57.7 99.58 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.762 1.289 . . . . 0.0 109.463 179.649 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 81' ' ' GLN . . . . . 0.549 ' OE1' ' HB1' ' A' ' 31' ' ' ALA . 11.8 pt20 -66.8 -157.79 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.579 1.175 . . . . 0.0 110.454 -179.718 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.327 -0.413 0 O-C-N 124.369 1.043 . . . . 0.0 109.262 179.914 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 29.6 m-20 . . . . . 0 N--CA 1.453 -0.278 0 N-CA-C 109.209 -0.663 . . . . 0.0 109.209 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 3' ' ' PRO . . . . . . . . . . . . . 19.1 Cg_endo -77.07 -18.86 14.16 Favored 'Trans proline' 0 C--N 1.36 1.165 0 O-C-N 124.47 1.773 . . . . 0.0 111.266 179.785 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 4' ' ' GLU . . . . . 0.518 ' HG2' ' CE2' ' A' ' 77' ' ' TRP . 11.9 mt-10 -81.59 -23.93 36.78 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.548 1.155 . . . . 0.0 109.866 179.613 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 73.5 t -87.51 -28.61 5.6 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.57 1.169 . . . . 0.0 108.813 179.455 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 6' ' ' LEU . . . . . 0.458 ' HA ' HD23 ' A' ' 6' ' ' LEU . 1.0 OUTLIER -82.52 -32.42 28.69 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.654 1.221 . . . . 0.0 108.811 179.528 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 7' ' ' PHE . . . . . 0.743 ' CZ ' HG23 ' A' ' 13' ' ' VAL . 2.7 t80 -67.02 -27.17 67.19 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.717 1.26 . . . . 0.0 110.703 179.94 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -89.83 -21.94 22.33 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.465 1.103 . . . . 0.0 109.872 179.93 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 8.4 t30 -116.03 59.89 0.72 Allowed 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.508 1.13 . . . . 0.0 109.252 -179.885 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 1.3 tptp -155.46 -44.4 0.08 Allowed 'General case' 0 C--N 1.327 -0.375 0 O-C-N 124.359 1.037 . . . . 0.0 110.367 -179.838 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 136.35 -6.73 3.96 Favored Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.343 1.027 . . . . 0.0 111.921 -179.634 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 12' ' ' CYS . . . . . 0.64 ' HB2' ' CD1' ' A' ' 7' ' ' PHE . 57.5 m -57.3 -60.8 3.09 Favored 'General case' 0 N--CA 1.448 -0.544 0 O-C-N 124.098 0.528 . . . . 0.0 109.92 -179.772 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 13' ' ' VAL . . . . . 0.743 HG23 ' CZ ' ' A' ' 7' ' ' PHE . 0.4 OUTLIER -61.82 -5.14 1.09 Allowed 'Isoleucine or valine' 0 CA--C 1.536 0.435 0 N-CA-C 114.503 1.298 . . . . 0.0 114.503 -176.39 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -52.4 -28.39 19.55 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 125.869 1.98 . . . . 0.0 108.064 179.412 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 1.6 p -156.29 16.03 0.33 Allowed 'General case' 0 C--O 1.238 0.448 0 O-C-N 124.984 1.428 . . . . 0.0 112.161 -179.297 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 16' ' ' HIS . . . . . 0.569 ' CE1' ' HD2' ' A' ' 25' ' ' PRO . 2.1 m-70 -98.83 -73.29 0.63 Allowed 'General case' 0 C--N 1.326 -0.456 0 N-CA-C 114.111 1.152 . . . . 0.0 114.111 -178.559 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . 70.14 157.73 0.17 Allowed 'General case' 0 CA--C 1.538 0.507 0 N-CA-C 107.247 -1.39 . . . . 0.0 107.247 -175.758 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 18' ' ' ILE . . . . . 0.597 HD12 ' N ' ' A' ' 19' ' ' ASP . 0.8 OUTLIER -92.17 -57.03 4.6 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.373 0 O-C-N 124.47 1.106 . . . . 0.0 111.254 -178.652 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 19' ' ' ASP . . . . . 0.597 ' N ' HD12 ' A' ' 18' ' ' ILE . 6.2 p-10 -98.86 16.72 21.44 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 115.166 -0.925 . . . . 0.0 111.282 -179.138 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -130.95 158.8 39.28 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.477 1.11 . . . . 0.0 110.288 179.567 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 15.4 mttt -119.06 165.44 14.13 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.511 1.132 . . . . 0.0 109.579 -179.611 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 22' ' ' MET . . . . . 0.48 ' CG ' HG23 ' A' ' 23' ' ' VAL . 1.5 tpp -175.0 -93.72 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.399 1.062 . . . . 0.0 110.602 179.689 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 23' ' ' VAL . . . . . 0.48 HG23 ' CG ' ' A' ' 22' ' ' MET . 8.3 t -97.13 -45.83 12.76 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.445 0 N-CA-C 107.817 -1.179 . . . . 0.0 107.817 178.342 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -102.89 172.44 21.72 Favored Glycine 0 CA--C 1.532 1.152 0 O-C-N 124.731 1.269 . . . . 0.0 110.962 179.683 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 25' ' ' PRO . . . . . 0.569 ' HD2' ' CE1' ' A' ' 16' ' ' HIS . 61.9 Cg_endo -73.71 152.44 47.67 Favored 'Trans proline' 0 C--N 1.359 1.099 0 O-C-N 124.369 1.72 . . . . 0.0 112.592 -178.886 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 26' ' ' ALA . . . . . 0.523 ' HB1' ' O ' ' A' ' 18' ' ' ILE . . . -75.42 128.01 34.4 Favored 'General case' 0 C--N 1.325 -0.495 0 N-CA-C 106.512 -1.662 . . . . 0.0 106.512 176.852 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 27' ' ' TYR . . . . . 0.721 ' CE2' HG23 ' A' ' 78' ' ' VAL . 9.1 m-85 -55.14 -27.68 47.26 Favored 'General case' 0 C--N 1.323 -0.566 0 O-C-N 124.759 1.287 . . . . 0.0 111.222 -178.217 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -68.82 -45.03 72.24 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.598 1.186 . . . . 0.0 109.447 179.876 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 29' ' ' ASP . . . . . 0.417 ' CG ' ' HB3' ' A' ' 26' ' ' ALA . 7.1 m-20 -62.25 -36.65 82.67 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.825 1.328 . . . . 0.0 110.328 -179.752 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 30' ' ' VAL . . . . . 0.659 HG11 HG13 ' A' ' 78' ' ' VAL . 64.6 t -72.97 -31.23 34.85 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 N-CA-C 107.155 -1.424 . . . . 0.0 107.155 178.41 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 31' ' ' ALA . . . . . 0.615 ' HA ' ' HB2' ' A' ' 35' ' ' ALA . . . -91.5 17.35 8.77 Favored 'General case' 0 CA--C 1.534 0.363 0 CA-C-N 114.28 -1.327 . . . . 0.0 109.357 178.542 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -137.37 10.71 2.99 Favored 'General case' 0 CA--C 1.538 0.497 0 CA-C-N 115.208 -0.905 . . . . 0.0 110.159 178.791 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 33' ' ' LYS . . . . . 0.439 ' HA ' ' HE3' ' A' ' 33' ' ' LYS . 0.5 OUTLIER -139.12 -57.45 0.6 Allowed 'General case' 0 C--N 1.323 -0.551 0 O-C-N 124.66 1.225 . . . . 0.0 108.827 179.058 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 9.5 m-85 -87.95 -5.27 58.62 Favored 'General case' 0 C--N 1.326 -0.421 0 O-C-N 124.316 1.01 . . . . 0.0 112.656 -179.962 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 35' ' ' ALA . . . . . 0.615 ' HB2' ' HA ' ' A' ' 31' ' ' ALA . . . -72.84 147.26 45.59 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.386 1.054 . . . . 0.0 109.206 179.979 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 92.61 -29.8 7.51 Favored Glycine 0 CA--C 1.532 1.123 0 N-CA-C 110.165 -1.174 . . . . 0.0 110.165 -179.165 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 8.1 pt20 -105.56 140.74 38.19 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.538 0.787 . . . . 0.0 109.445 179.091 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -148.9 107.13 3.74 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.536 1.147 . . . . 0.0 109.796 -179.622 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . -144.96 25.26 1.92 Allowed Glycine 0 CA--C 1.531 1.039 0 O-C-N 124.536 1.148 . . . . 0.0 111.488 179.863 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 40' ' ' ALA . . . . . 0.406 ' C ' ' CG ' ' A' ' 41' ' ' GLU . . . -148.37 -94.55 0.08 Allowed 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.564 0.802 . . . . 0.0 109.783 179.868 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 41' ' ' GLU . . . . . 0.406 ' CG ' ' C ' ' A' ' 40' ' ' ALA . 0.0 OUTLIER 49.0 23.17 0.67 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.106 0.879 . . . . 0.0 110.646 -179.527 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -134.74 -57.03 0.83 Allowed 'General case' 0 CA--C 1.541 0.619 0 N-CA-C 105.918 -1.882 . . . . 0.0 105.918 177.707 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 3.1 tt0 -84.26 2.84 38.2 Favored 'General case' 0 CA--C 1.543 0.679 0 O-C-N 125.454 1.721 . . . . 0.0 109.562 175.085 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 44' ' ' LEU . . . . . 0.442 ' CD1' HD13 ' A' ' 79' ' ' LEU . 0.1 OUTLIER -90.77 -36.1 14.48 Favored 'General case' 0 C--N 1.323 -0.558 0 N-CA-C 106.816 -1.55 . . . . 0.0 106.816 177.711 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -73.56 -25.91 60.59 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 114.218 -1.355 . . . . 0.0 108.825 178.368 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 46' ' ' GLN . . . . . 0.413 ' O ' ' CB ' ' A' ' 50' ' ' ASN . 47.3 mm-40 -77.1 -24.83 51.74 Favored 'General case' 0 CA--C 1.537 0.458 0 CA-C-N 114.318 -1.31 . . . . 0.0 109.257 179.94 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -71.66 -37.56 70.78 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 125.461 1.726 . . . . 0.0 108.772 177.846 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 48' ' ' ILE . . . . . 0.424 ' HA ' ' HE1' ' A' ' 61' ' ' MET . 68.1 mt -55.66 -33.85 34.51 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 125.26 1.6 . . . . 0.0 110.146 179.478 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 49' ' ' LYS . . . . . 0.484 ' HD2' HG23 ' A' ' 66' ' ' VAL . 9.5 mmtt -117.59 7.51 12.64 Favored 'General case' 0 N--CA 1.449 -0.495 0 N-CA-C 114.569 1.322 . . . . 0.0 114.569 -177.22 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 50' ' ' ASN . . . . . 0.413 ' CB ' ' O ' ' A' ' 46' ' ' GLN . 57.7 t30 -126.01 -5.38 6.79 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 123.988 0.805 . . . . 0.0 111.011 179.58 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 83.44 136.17 2.81 Favored Glycine 0 CA--C 1.529 0.946 0 O-C-N 124.292 0.995 . . . . 0.0 111.512 179.547 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -87.25 -9.71 54.35 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.36 0.682 . . . . 0.0 111.29 179.877 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 53' ' ' GLN . . . . . 0.422 ' HG2' ' N ' ' A' ' 54' ' ' GLY . 0.6 OUTLIER 86.34 -39.73 0.04 OUTLIER 'General case' 0 C--N 1.324 -0.542 0 O-C-N 124.399 1.062 . . . . 0.0 111.911 179.608 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 54' ' ' GLY . . . . . 0.422 ' N ' ' HG2' ' A' ' 53' ' ' GLN . . . 135.68 96.78 0.5 Allowed Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.385 1.053 . . . . 0.0 111.051 -179.838 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 75.3 t -110.6 -31.1 2.28 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.5 0 O-C-N 124.538 0.787 . . . . 0.0 109.856 -179.801 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 56' ' ' TRP . . . . . 0.407 ' CH2' ' HB2' ' A' ' 29' ' ' ASP . 5.8 m95 -102.45 -41.66 6.23 Favored 'General case' 0 C--N 1.326 -0.425 0 O-C-N 124.373 1.046 . . . . 0.0 108.552 -179.822 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -144.16 174.19 24.57 Favored Glycine 0 CA--C 1.53 0.979 0 O-C-N 124.392 1.058 . . . . 0.0 110.986 -179.842 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 58' ' ' PRO . . . . . . . . . . . . . 28.5 Cg_endo -82.93 78.74 3.2 Favored 'Trans proline' 0 C--N 1.358 1.052 0 O-C-N 124.378 1.725 . . . . 0.0 111.19 -179.661 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 59' ' ' ILE . . . . . . . . . . . . . 1.2 tt -172.33 113.26 0.38 Allowed Pre-proline 0 C--N 1.325 -0.487 0 O-C-N 124.411 1.069 . . . . 0.0 109.181 179.855 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 60' ' ' PRO . . . . . 0.415 ' HB3' ' HA ' ' A' ' 53' ' ' GLN . 29.7 Cg_endo -80.02 115.49 3.28 Favored 'Trans proline' 0 C--N 1.359 1.109 0 O-C-N 124.388 1.73 . . . . 0.0 112.333 -179.144 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 61' ' ' MET . . . . . 0.453 ' HG3' ' HD2' ' A' ' 62' ' ' PRO . 5.5 ttp -43.7 138.38 3.05 Favored Pre-proline 0 C--N 1.325 -0.481 0 O-C-N 124.483 1.114 . . . . 0.0 112.132 179.669 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 62' ' ' PRO . . . . . 0.453 ' HD2' ' HG3' ' A' ' 61' ' ' MET . 23.3 Cg_exo -45.37 105.75 0.08 OUTLIER 'Trans proline' 0 C--N 1.361 1.237 0 O-C-N 124.526 1.803 . . . . 0.0 111.672 179.805 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 63' ' ' PRO . . . . . . . . . . . . . 38.2 Cg_endo -81.97 93.27 0.94 Allowed 'Trans proline' 0 C--N 1.359 1.089 0 O-C-N 124.291 1.679 . . . . 0.0 111.136 -179.72 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 41.6 t30 -135.71 86.86 2.27 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.177 0.923 . . . . 0.0 109.651 179.958 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 65' ' ' ALA . . . . . 0.483 ' HA ' ' HB3' ' A' ' 49' ' ' LYS . . . -41.35 138.45 1.23 Allowed 'General case' 0 N--CA 1.449 -0.507 0 O-C-N 124.505 1.128 . . . . 0.0 112.882 -179.232 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 66' ' ' VAL . . . . . 0.58 HG12 ' N ' ' A' ' 67' ' ' SER . 2.3 t -117.66 -71.52 0.72 Allowed 'Isoleucine or valine' 0 CA--C 1.536 0.416 0 CA-C-N 114.882 -1.054 . . . . 0.0 108.397 178.998 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 67' ' ' SER . . . . . 0.58 ' N ' HG12 ' A' ' 66' ' ' VAL . 89.6 p -175.88 -138.14 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.741 1.276 . . . . 0.0 109.459 -179.773 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 6.8 m-20 -144.27 44.0 1.42 Allowed 'General case' 0 C--N 1.324 -0.539 0 O-C-N 124.13 0.893 . . . . 0.0 109.214 179.559 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -149.55 -66.02 0.22 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.719 1.262 . . . . 0.0 110.059 179.924 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 2.1 mt-10 -56.66 -36.61 69.76 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.539 1.149 . . . . 0.0 108.706 179.63 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -80.02 -32.03 39.58 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-N 114.144 -1.389 . . . . 0.0 108.909 178.97 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -65.09 -16.81 63.88 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.555 1.159 . . . . 0.0 111.581 -179.694 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 3.0 m -84.32 -45.27 12.97 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.265 0.978 . . . . 0.0 111.104 -179.653 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -81.74 -8.07 59.66 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.464 1.102 . . . . 0.0 111.329 -179.316 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -85.19 -34.74 21.99 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.201 0.938 . . . . 0.0 109.809 -179.871 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 4.5 ptmt -82.05 -15.85 52.12 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.553 1.158 . . . . 0.0 110.345 -179.47 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 77' ' ' TRP . . . . . 0.613 ' CZ3' ' CE2' ' A' ' 27' ' ' TYR . 38.6 t90 -88.31 -34.53 17.63 Favored 'General case' 0 C--N 1.324 -0.521 0 N-CA-C 106.931 -1.507 . . . . 0.0 106.931 179.038 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 78' ' ' VAL . . . . . 0.721 HG23 ' CE2' ' A' ' 27' ' ' TYR . 0.8 OUTLIER -64.79 -53.78 37.83 Favored 'Isoleucine or valine' 0 CA--C 1.543 0.689 0 N-CA-C 106.246 -1.761 . . . . 0.0 106.246 176.964 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 79' ' ' LEU . . . . . 0.623 ' N ' HG12 ' A' ' 78' ' ' VAL . 9.4 tp -60.95 -64.38 0.97 Allowed 'General case' 0 N--CA 1.453 -0.311 0 CA-C-N 113.625 -1.625 . . . . 0.0 110.239 -178.624 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -107.41 117.0 32.95 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.393 1.058 . . . . 0.0 109.973 -179.782 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 81' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -51.27 -49.65 60.78 Favored 'General case' 0 C--N 1.327 -0.401 0 O-C-N 124.38 1.05 . . . . 0.0 110.146 -179.912 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 1.5 ptpp? . . . . . 0 C--N 1.326 -0.444 0 O-C-N 124.424 1.078 . . . . 0.0 109.187 179.527 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 1' ' ' GLU . . . . . . . . . . . . . 39.9 mm-40 . . . . . 0 N--CA 1.453 -0.313 0 N-CA-C 110.268 -0.271 . . . . 0.0 110.268 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -128.98 145.85 58.28 Favored Pre-proline 0 C--N 1.325 -0.475 0 O-C-N 124.572 1.17 . . . . 0.0 109.118 179.999 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 3' ' ' PRO . . . . . 0.52 ' HG2' ' CD1' ' A' ' 77' ' ' TRP . 16.6 Cg_endo -77.42 -14.72 16.12 Favored 'Trans proline' 0 C--N 1.359 1.101 0 O-C-N 124.571 1.827 . . . . 0.0 111.947 -179.354 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 4' ' ' GLU . . . . . 0.509 ' HB3' ' CZ2' ' A' ' 77' ' ' TRP . 9.2 pt-20 -80.8 -28.16 36.37 Favored 'General case' 0 C--N 1.323 -0.555 0 O-C-N 124.707 1.254 . . . . 0.0 108.925 179.026 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 43.0 t -83.63 -29.18 7.6 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.435 0 CA-C-N 114.284 -1.325 . . . . 0.0 108.194 178.662 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 11.0 mt -81.87 -27.7 33.35 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.73 1.269 . . . . 0.0 108.833 179.328 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 7' ' ' PHE . . . . . 0.712 ' CZ ' HG23 ' A' ' 13' ' ' VAL . 0.5 OUTLIER -69.65 -23.47 63.48 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.809 1.318 . . . . 0.0 110.283 179.54 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -105.03 0.43 27.62 Favored 'General case' 0 N--CA 1.45 -0.432 0 O-C-N 124.317 1.01 . . . . 0.0 111.689 -179.628 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -94.38 -8.79 37.74 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.22 0.95 . . . . 0.0 112.031 -178.619 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -109.41 -91.75 0.44 Allowed 'General case' 0 C--N 1.323 -0.58 0 O-C-N 124.234 0.959 . . . . 0.0 108.945 -179.835 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 11' ' ' GLY . . . . . 0.653 ' O ' HMC1 ' A' ' 83' ' ' HEM . . . -169.75 26.81 0.11 Allowed Glycine 0 CA--C 1.528 0.85 0 O-C-N 124.481 1.113 . . . . 0.0 112.103 179.868 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 12' ' ' CYS . . . . . 0.602 ' HB2' ' CD1' ' A' ' 7' ' ' PHE . 11.4 m -66.9 -50.4 62.56 Favored 'General case' 0 N--CA 1.449 -0.509 0 N-CA-C 108.615 -0.883 . . . . 0.0 108.615 179.864 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 13' ' ' VAL . . . . . 0.712 HG23 ' CZ ' ' A' ' 7' ' ' PHE . 0.4 OUTLIER -62.43 -4.92 1.18 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.718 1.261 . . . . 0.0 113.823 -177.523 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -52.82 -28.74 24.03 Favored 'General case' 0 C--N 1.324 -0.535 0 O-C-N 125.501 1.75 . . . . 0.0 107.934 178.277 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 1.8 p -163.13 20.29 0.08 Allowed 'General case' 0 C--O 1.238 0.49 0 O-C-N 124.927 1.392 . . . . 0.0 112.594 -179.504 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 16' ' ' HIS . . . . . 0.618 ' CE1' ' HD2' ' A' ' 25' ' ' PRO . 3.7 m-70 -100.33 -69.0 0.79 Allowed 'General case' 0 N--CA 1.451 -0.41 0 N-CA-C 113.486 0.921 . . . . 0.0 113.486 -179.032 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 17' ' ' ALA . . . . . 0.847 ' C ' HD13 ' A' ' 18' ' ' ILE . . . 70.24 151.73 0.1 Allowed 'General case' 0 CA--C 1.539 0.527 0 N-CA-C 108.504 -0.924 . . . . 0.0 108.504 -177.702 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 18' ' ' ILE . . . . . 0.847 HD13 ' C ' ' A' ' 17' ' ' ALA . 2.6 mm -99.39 33.8 0.29 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 N-CA-C 107.121 -1.437 . . . . 0.0 107.121 -179.656 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 19' ' ' ASP . . . . . 0.403 ' HB3' ' NZ ' ' A' ' 28' ' ' LYS . 0.0 OUTLIER 174.51 9.83 0.0 OUTLIER 'General case' 0 C--O 1.243 0.755 0 N-CA-C 116.819 2.155 . . . . 0.0 116.819 178.976 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -142.22 163.64 32.31 Favored 'General case' 0 C--N 1.323 -0.572 0 CA-C-N 118.522 0.601 . . . . 0.0 111.304 178.945 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 21' ' ' LYS . . . . . 0.405 ' NZ ' ' HB3' ' A' ' 56' ' ' TRP . 23.5 tttt -113.19 149.6 33.46 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.517 1.136 . . . . 0.0 110.174 -179.525 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 22' ' ' MET . . . . . 0.5 ' CG ' HG23 ' A' ' 23' ' ' VAL . 0.8 OUTLIER -157.55 -85.2 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.484 0 CA-C-N 114.711 -1.131 . . . . 0.0 109.715 179.562 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 23' ' ' VAL . . . . . 0.5 HG23 ' CG ' ' A' ' 22' ' ' MET . 17.4 t -108.97 -50.61 7.05 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.513 0 N-CA-C 107.471 -1.307 . . . . 0.0 107.471 177.862 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 24' ' ' GLY . . . . . 0.533 ' HA2' ' C2D' ' A' ' 83' ' ' HEM . . . -95.73 168.27 26.27 Favored Glycine 0 CA--C 1.536 1.344 0 N-CA-C 110.016 -1.234 . . . . 0.0 110.016 178.593 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 25' ' ' PRO . . . . . 0.664 ' CD ' ' CHA' ' A' ' 83' ' ' HEM . 73.8 Cg_endo -71.69 143.03 40.99 Favored 'Trans proline' 0 C--N 1.358 1.043 0 C-N-CA 122.156 1.904 . . . . 0.0 112.111 -179.23 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 26' ' ' ALA . . . . . 0.71 ' HB3' ' HB2' ' A' ' 29' ' ' ASP . . . -68.04 126.44 29.48 Favored 'General case' 0 CA--C 1.544 0.717 0 N-CA-C 105.276 -2.12 . . . . 0.0 105.276 175.2 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 27' ' ' TYR . . . . . 0.593 ' HB2' HD12 ' A' ' 18' ' ' ILE . 10.9 m-85 -58.3 -41.46 84.49 Favored 'General case' 0 C--N 1.321 -0.64 0 O-C-N 125.524 1.765 . . . . 0.0 109.333 -179.309 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 28' ' ' LYS . . . . . 0.403 ' NZ ' ' HB3' ' A' ' 19' ' ' ASP . 1.7 ttpm? -67.04 -30.06 70.03 Favored 'General case' 0 CA--C 1.536 0.438 0 O-C-N 125.292 1.62 . . . . 0.0 109.813 179.901 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 29' ' ' ASP . . . . . 0.71 ' HB2' ' HB3' ' A' ' 26' ' ' ALA . 11.7 m-20 -71.9 -32.63 67.6 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.817 1.323 . . . . 0.0 109.111 179.652 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 30' ' ' VAL . . . . . 0.446 HG11 ' HB ' ' A' ' 78' ' ' VAL . 3.8 t -64.01 -33.5 62.62 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.52 0 N-CA-C 107.151 -1.426 . . . . 0.0 107.151 178.713 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 31' ' ' ALA . . . . . 0.56 ' O ' ' HB2' ' A' ' 35' ' ' ALA . . . -72.29 -30.77 65.13 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 114.205 -1.361 . . . . 0.0 108.974 179.055 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -90.78 14.22 14.15 Favored 'General case' 0 C--N 1.328 -0.354 0 O-C-N 124.555 1.159 . . . . 0.0 111.386 -179.256 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 33' ' ' LYS . . . . . 0.553 ' HG3' ' CH2' ' A' ' 56' ' ' TRP . 0.1 OUTLIER -124.49 -78.8 0.6 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.466 1.104 . . . . 0.0 108.547 178.777 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 0.5 OUTLIER -49.17 -65.63 0.53 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.749 1.281 . . . . 0.0 109.503 178.745 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 35' ' ' ALA . . . . . 0.56 ' HB2' ' O ' ' A' ' 31' ' ' ALA . . . 37.18 86.98 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.508 0 N-CA-C 114.22 1.192 . . . . 0.0 114.22 177.688 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 86.7 37.04 8.87 Favored Glycine 0 CA--C 1.53 0.974 0 O-C-N 124.038 0.837 . . . . 0.0 111.416 178.891 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -135.09 79.98 1.82 Allowed 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.631 0.842 . . . . 0.0 110.052 179.964 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -111.54 90.45 3.34 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 114.835 -1.075 . . . . 0.0 109.679 -179.66 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . -135.37 10.99 4.38 Favored Glycine 0 CA--C 1.529 0.918 0 O-C-N 124.515 1.134 . . . . 0.0 111.809 179.587 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -131.2 -105.14 0.27 Allowed 'General case' 0 C--N 1.325 -0.466 0 N-CA-C 108.611 -0.885 . . . . 0.0 108.611 179.712 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 4.2 tt0 84.98 -35.57 0.05 Allowed 'General case' 0 C--N 1.323 -0.586 0 O-C-N 124.319 1.012 . . . . 0.0 111.247 -179.866 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -86.81 -44.96 11.33 Favored 'General case' 0 C--N 1.324 -0.539 0 O-C-N 124.397 1.061 . . . . 0.0 108.436 179.284 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 8.6 tt0 -87.05 -4.84 59.19 Favored 'General case' 0 CA--C 1.541 0.606 0 O-C-N 125.111 1.507 . . . . 0.0 110.96 179.053 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 44' ' ' LEU . . . . . 0.462 HD12 ' HG ' ' A' ' 79' ' ' LEU . 0.2 OUTLIER -87.97 -33.92 18.25 Favored 'General case' 0 C--N 1.322 -0.604 0 N-CA-C 106.368 -1.715 . . . . 0.0 106.368 176.856 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -78.88 -24.32 44.29 Favored 'General case' 0 CA--C 1.54 0.563 0 CA-C-N 114.101 -1.408 . . . . 0.0 107.308 176.346 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 46' ' ' GLN . . . . . . . . . . . . . 29.4 tp60 -71.41 -21.76 61.95 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 114.06 -1.427 . . . . 0.0 109.44 179.653 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 47' ' ' ARG . . . . . 0.464 ' CG ' ' HA ' ' A' ' 52' ' ' SER . 5.5 mpt_? -76.39 -35.37 58.65 Favored 'General case' 0 CA--C 1.539 0.531 0 O-C-N 125.209 1.568 . . . . 0.0 107.994 177.417 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 48' ' ' ILE . . . . . 0.588 HD13 HMB3 ' A' ' 83' ' ' HEM . 14.9 mt -70.82 -8.37 10.88 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.397 0 O-C-N 125.173 1.546 . . . . 0.0 110.283 178.701 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 1.3 tttt -129.83 3.05 4.9 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.293 0.996 . . . . 0.0 112.038 -178.946 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 50' ' ' ASN . . . . . 0.454 ' HA ' ' HB3' ' A' ' 63' ' ' PRO . 0.2 OUTLIER -144.98 7.47 1.2 Allowed 'General case' 0 N--CA 1.451 -0.409 0 O-C-N 124.157 0.911 . . . . 0.0 112.31 -179.225 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 80.27 152.0 7.64 Favored Glycine 0 CA--C 1.531 1.043 0 O-C-N 124.115 0.885 . . . . 0.0 111.311 179.536 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 52' ' ' SER . . . . . 0.464 ' HA ' ' CG ' ' A' ' 47' ' ' ARG . 0.3 OUTLIER -72.77 -165.56 0.22 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.536 0.786 . . . . 0.0 110.086 179.971 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 4.1 mm100 -114.4 -30.97 6.4 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.583 1.177 . . . . 0.0 110.507 -179.778 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 118.47 97.05 1.8 Allowed Glycine 0 CA--C 1.531 1.05 0 O-C-N 124.39 1.056 . . . . 0.0 110.887 -179.916 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 18.0 t -128.22 -43.32 0.91 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.5 0.764 . . . . 0.0 109.96 -179.816 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 56' ' ' TRP . . . . . 0.553 ' CH2' ' HG3' ' A' ' 33' ' ' LYS . 0.0 OUTLIER -110.41 -30.92 7.47 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.452 1.095 . . . . 0.0 108.215 179.932 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -138.93 143.55 14.25 Favored Glycine 0 CA--C 1.53 0.988 0 O-C-N 124.483 1.115 . . . . 0.0 110.962 -179.934 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 58' ' ' PRO . . . . . . . . . . . . . 44.1 Cg_endo -83.08 15.06 2.18 Favored 'Trans proline' 0 C--N 1.36 1.148 0 O-C-N 124.333 1.702 . . . . 0.0 112.555 -179.508 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 59' ' ' ILE . . . . . . . . . . . . . 0.5 OUTLIER -119.05 95.84 49.67 Favored Pre-proline 0 C--N 1.325 -0.474 0 O-C-N 124.288 0.993 . . . . 0.0 109.782 -179.704 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 60' ' ' PRO . . . . . . . . . . . . . 1.6 Cg_endo -52.93 148.51 29.31 Favored 'Trans proline' 0 C--N 1.363 1.307 0 O-C-N 124.487 1.783 . . . . 0.0 110.713 179.396 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 61' ' ' MET . . . . . 0.559 ' HB2' ' CHD' ' A' ' 83' ' ' HEM . 0.9 OUTLIER -78.01 140.19 61.92 Favored Pre-proline 0 C--N 1.325 -0.471 0 O-C-N 124.682 1.239 . . . . 0.0 112.041 -179.319 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 62' ' ' PRO . . . . . . . . . . . . . 34.5 Cg_exo -41.33 109.51 0.11 Allowed 'Trans proline' 0 C--N 1.362 1.276 0 O-C-N 124.603 1.844 . . . . 0.0 112.386 -178.757 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 63' ' ' PRO . . . . . 0.454 ' HB3' ' HA ' ' A' ' 50' ' ' ASN . 1.7 Cg_endo -68.18 154.48 72.25 Favored 'Trans proline' 0 C--N 1.362 1.254 0 O-C-N 124.367 1.72 . . . . 0.0 110.707 179.611 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 7.5 m120 72.35 134.91 0.04 OUTLIER 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.639 1.212 . . . . 0.0 109.494 -179.949 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -170.27 -42.54 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.472 0 CA-C-N 114.901 -1.045 . . . . 0.0 109.058 -179.985 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 66' ' ' VAL . . . . . 0.522 HG23 ' N ' ' A' ' 67' ' ' SER . 15.6 m -141.01 -146.73 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.423 0 O-C-N 124.457 1.098 . . . . 0.0 108.897 179.722 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 67' ' ' SER . . . . . 0.522 ' N ' HG23 ' A' ' 66' ' ' VAL . 30.8 t -98.84 -92.44 0.26 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.485 1.116 . . . . 0.0 110.004 -179.995 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 3.3 t0 -172.25 34.46 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.406 1.066 . . . . 0.0 109.253 179.984 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 21.7 t0 -130.77 -56.93 1.05 Allowed 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.524 1.14 . . . . 0.0 108.531 179.395 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 3.3 mm-40 -60.37 -23.38 64.25 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.767 1.292 . . . . 0.0 109.43 178.87 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -84.99 -42.13 15.19 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.652 1.22 . . . . 0.0 108.66 179.247 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 33.3 tt0 -50.81 -30.17 13.57 Favored 'General case' 0 C--N 1.326 -0.414 0 O-C-N 124.652 1.22 . . . . 0.0 110.654 179.902 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 2.9 m -72.83 -51.15 19.98 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.448 1.092 . . . . 0.0 110.502 179.997 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 74' ' ' LEU . . . . . 0.436 ' HB3' ' CMB' ' A' ' 83' ' ' HEM . 0.3 OUTLIER -74.16 -2.47 24.81 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.451 1.095 . . . . 0.0 110.558 179.651 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -90.32 -23.36 21.16 Favored 'General case' 0 C--N 1.324 -0.533 0 O-C-N 124.201 0.938 . . . . 0.0 110.34 -179.213 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 5.4 tptt -95.28 -17.77 21.39 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.201 0.938 . . . . 0.0 109.191 179.856 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 77' ' ' TRP . . . . . 0.52 ' CD1' ' HG2' ' A' ' 3' ' ' PRO . 28.2 t90 -72.14 -39.8 68.53 Favored 'General case' 0 C--N 1.324 -0.525 0 N-CA-C 107.161 -1.422 . . . . 0.0 107.161 179.017 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 78' ' ' VAL . . . . . 0.713 HG21 ' CMA' ' A' ' 83' ' ' HEM . 0.0 OUTLIER -59.76 -63.05 0.8 Allowed 'Isoleucine or valine' 0 CA--C 1.548 0.891 0 O-C-N 125.058 1.474 . . . . 0.0 107.228 178.929 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 79' ' ' LEU . . . . . 0.462 ' HG ' HD12 ' A' ' 44' ' ' LEU . 0.6 OUTLIER -56.08 -26.48 49.69 Favored 'General case' 0 N--CA 1.45 -0.445 0 CA-C-N 114.511 -1.222 . . . . 0.0 111.361 -179.505 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 5.0 m -118.56 62.05 0.78 Allowed 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.779 1.299 . . . . 0.0 111.486 -178.781 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 81' ' ' GLN . . . . . 0.499 ' CB ' ' HB2' ' A' ' 31' ' ' ALA . 0.0 OUTLIER -107.45 152.24 24.47 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.551 1.157 . . . . 0.0 109.266 178.693 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 C--N 1.325 -0.496 0 O-C-N 124.504 1.128 . . . . 0.0 109.333 -179.65 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 83' ' ' HEM . . . . . 0.713 ' CMA' HG21 ' A' ' 78' ' ' VAL . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 1' ' ' GLU . . . . . . . . . . . . . 1.3 tp10 . . . . . 0 N--CA 1.453 -0.289 0 N-CA-C 110.237 -0.282 . . . . 0.0 110.237 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 2' ' ' ASP . . . . . 0.475 ' N ' ' HD3' ' A' ' 3' ' ' PRO . 7.3 m-20 -170.25 62.8 0.43 Allowed Pre-proline 0 C--N 1.325 -0.466 0 O-C-N 124.497 1.123 . . . . 0.0 108.953 179.762 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 3' ' ' PRO . . . . . 0.527 ' HB2' ' CG ' ' A' ' 77' ' ' TRP . 42.0 Cg_endo -82.81 -21.85 4.68 Favored 'Trans proline' 0 C--N 1.359 1.088 0 O-C-N 124.435 1.755 . . . . 0.0 110.007 -179.996 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 2.2 mt-10 -82.42 -24.15 34.51 Favored 'General case' 0 C--N 1.324 -0.538 0 O-C-N 124.831 1.332 . . . . 0.0 109.091 178.243 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 5' ' ' VAL . . . . . 0.458 ' HB ' ' HB3' ' A' ' 2' ' ' ASP . 2.2 t -85.12 -28.83 6.49 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.356 0 O-C-N 124.758 1.286 . . . . 0.0 108.39 178.798 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 6' ' ' LEU . . . . . 0.642 ' HB3' HD11 ' A' ' 74' ' ' LEU . 0.7 OUTLIER -81.84 -31.02 31.85 Favored 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.718 1.261 . . . . 0.0 108.339 178.912 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 7' ' ' PHE . . . . . 0.776 ' CZ ' HG23 ' A' ' 13' ' ' VAL . 11.1 t80 -66.34 -24.72 66.57 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.821 1.326 . . . . 0.0 111.484 -179.94 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -98.69 -9.08 25.14 Favored 'General case' 0 C--N 1.326 -0.429 0 O-C-N 124.568 1.168 . . . . 0.0 111.694 -178.881 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 25.3 t-20 -88.93 -63.79 1.24 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.114 0.883 . . . . 0.0 111.509 -178.905 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 2.5 mmpp? -47.32 -36.15 8.99 Favored 'General case' 0 C--N 1.326 -0.421 0 O-C-N 124.117 0.886 . . . . 0.0 111.702 -178.613 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 11' ' ' GLY . . . . . 0.535 ' O ' HMC1 ' A' ' 83' ' ' HEM . . . 115.19 26.15 3.58 Favored Glycine 0 CA--C 1.53 0.974 0 O-C-N 124.344 1.028 . . . . 0.0 111.127 -179.853 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 12' ' ' CYS . . . . . 0.6 ' HB2' ' CD1' ' A' ' 7' ' ' PHE . 1.8 m -68.39 -48.56 64.37 Favored 'General case' 0 N--CA 1.447 -0.595 0 N-CA-C 108.255 -1.017 . . . . 0.0 108.255 179.965 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 13' ' ' VAL . . . . . 0.776 HG23 ' CZ ' ' A' ' 7' ' ' PHE . 0.3 OUTLIER -63.85 -6.22 2.36 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.983 1.427 . . . . 0.0 113.284 -177.687 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -52.76 -28.56 22.79 Favored 'General case' 0 CA--C 1.539 0.538 0 O-C-N 125.772 1.92 . . . . 0.0 108.031 179.295 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 5.9 p -157.44 17.71 0.27 Allowed 'General case' 0 N--CA 1.45 -0.448 0 O-C-N 124.904 1.377 . . . . 0.0 111.864 -179.328 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 16' ' ' HIS . . . . . 0.586 ' CE1' ' HD2' ' A' ' 25' ' ' PRO . 3.6 m-70 -99.61 -172.62 2.28 Favored 'General case' 0 CA--C 1.54 0.565 0 O-C-N 123.804 0.69 . . . . 0.0 110.699 -179.97 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 17' ' ' ALA . . . . . 0.722 ' HB1' HG23 ' A' ' 20' ' ' THR . . . 179.09 156.23 0.49 Allowed 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 113.973 -1.467 . . . . 0.0 108.903 178.813 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 18' ' ' ILE . . . . . 0.594 HD12 ' N ' ' A' ' 19' ' ' ASP . 0.6 OUTLIER -95.28 -57.56 4.32 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.38 0 O-C-N 124.33 1.019 . . . . 0.0 111.789 -178.872 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 19' ' ' ASP . . . . . 0.594 ' N ' HD12 ' A' ' 18' ' ' ILE . 3.3 p-10 -100.49 5.52 44.14 Favored 'General case' 0 N--CA 1.45 -0.446 0 CA-C-N 115.463 -0.789 . . . . 0.0 113.053 -177.909 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 20' ' ' THR . . . . . 0.722 HG23 ' HB1' ' A' ' 17' ' ' ALA . 0.2 OUTLIER -124.8 165.27 18.31 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.212 0.945 . . . . 0.0 110.435 179.63 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 2.2 ttmt -98.62 159.99 14.58 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.691 1.244 . . . . 0.0 110.12 -179.399 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 22' ' ' MET . . . . . . . . . . . . . 1.1 tpt -177.56 -145.93 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.468 0 CA-C-N 114.939 -1.028 . . . . 0.0 110.308 -179.899 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 23' ' ' VAL . . . . . 0.884 HG12 HMD3 ' A' ' 83' ' ' HEM . 3.1 t -68.67 -39.62 80.58 Favored 'Isoleucine or valine' 0 CA--C 1.541 0.612 0 N-CA-C 106.201 -1.778 . . . . 0.0 106.201 177.44 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -86.83 -178.16 49.17 Favored Glycine 0 CA--C 1.532 1.129 0 CA-C-N 113.789 -1.551 . . . . 0.0 110.266 178.668 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 25' ' ' PRO . . . . . 0.586 ' HD2' ' CE1' ' A' ' 16' ' ' HIS . 93.3 Cg_endo -102.16 139.65 0.17 Allowed 'Trans proline' 0 C--N 1.353 0.773 0 C-N-CA 122.798 2.332 . . . . 0.0 110.752 -178.26 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -57.82 114.39 2.28 Favored 'General case' 0 C--N 1.324 -0.542 0 N-CA-C 106.489 -1.671 . . . . 0.0 106.489 177.54 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 27' ' ' TYR . . . . . 0.891 ' CE2' HG13 ' A' ' 78' ' ' VAL . 3.8 m-85 -58.03 -21.98 47.79 Favored 'General case' 0 C--N 1.324 -0.535 0 O-C-N 124.797 1.311 . . . . 0.0 112.042 -177.705 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -74.53 -43.0 57.89 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.644 1.215 . . . . 0.0 108.859 179.585 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 12.7 m-20 -66.98 -34.05 76.91 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.882 1.364 . . . . 0.0 109.5 179.812 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 30' ' ' VAL . . . . . 0.487 HG11 HG12 ' A' ' 78' ' ' VAL . 2.6 t -71.9 -31.45 40.88 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 N-CA-C 107.704 -1.221 . . . . 0.0 107.704 178.647 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -95.03 12.13 29.59 Favored 'General case' 0 C--N 1.328 -0.344 0 O-C-N 125.036 1.46 . . . . 0.0 110.31 179.831 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -124.56 5.31 8.26 Favored 'General case' 0 CA--C 1.54 0.578 0 O-C-N 123.949 0.781 . . . . 0.0 109.947 178.2 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 4.8 mmtm -122.4 -50.86 1.98 Allowed 'General case' 0 C--N 1.323 -0.579 0 N-CA-C 107.173 -1.417 . . . . 0.0 107.173 177.773 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 13.7 m-85 -93.91 -33.11 13.62 Favored 'General case' 0 CA--C 1.54 0.589 0 CA-C-N 114.343 -1.299 . . . . 0.0 108.85 177.174 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . 50.0 -157.84 0.09 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 125.203 1.565 . . . . 0.0 109.456 179.114 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . -88.21 39.98 3.1 Favored Glycine 0 CA--C 1.531 1.038 0 O-C-N 124.508 1.13 . . . . 0.0 110.859 179.665 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 1.5 mm-40 -66.25 -27.03 67.64 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.345 0.673 . . . . 0.0 109.408 179.332 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . 58.22 -179.84 0.07 Allowed 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 114.678 -1.146 . . . . 0.0 110.103 179.252 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 86.29 -23.03 10.4 Favored Glycine 0 CA--C 1.529 0.938 0 CA-C-N 114.718 -1.128 . . . . 0.0 111.971 -179.891 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -117.81 49.25 1.26 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.23 0.606 . . . . 0.0 109.649 -179.807 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 2.8 pt-20 -115.32 21.53 14.03 Favored 'General case' 0 C--N 1.324 -0.537 0 O-C-N 124.594 1.184 . . . . 0.0 109.927 179.2 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -101.59 -66.17 0.93 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.702 1.251 . . . . 0.0 109.111 -179.996 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -75.41 -1.56 24.49 Favored 'General case' 0 CA--C 1.54 0.577 0 O-C-N 124.647 1.217 . . . . 0.0 110.775 178.647 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -87.16 -34.9 18.89 Favored 'General case' 0 C--N 1.323 -0.565 0 N-CA-C 106.895 -1.52 . . . . 0.0 106.895 176.811 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 45' ' ' ALA . . . . . 0.465 ' HA ' ' HB2' ' A' ' 75' ' ' ALA . . . -74.5 -24.58 59.01 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 125.137 1.523 . . . . 0.0 109.175 178.526 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 46' ' ' GLN . . . . . . . . . . . . . 3.6 mt-30 -81.15 -18.24 47.03 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.815 1.322 . . . . 0.0 109.982 -179.932 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 47' ' ' ARG . . . . . 0.429 ' HG2' ' HB2' ' A' ' 52' ' ' SER . 79.6 mtt180 -75.35 -32.07 60.76 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 125.074 1.484 . . . . 0.0 108.371 177.762 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 48' ' ' ILE . . . . . 0.845 HD13 HMB3 ' A' ' 83' ' ' HEM . 21.3 mt -76.76 -16.3 14.79 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.388 0 O-C-N 125.002 1.439 . . . . 0.0 109.925 178.711 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 49' ' ' LYS . . . . . 0.612 ' HG3' HG23 ' A' ' 66' ' ' VAL . 0.1 OUTLIER -114.52 -0.76 13.61 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.242 0.963 . . . . 0.0 112.809 -177.839 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 78.8 m-20 -134.91 -9.63 2.34 Favored 'General case' 0 N--CA 1.448 -0.542 0 O-C-N 124.379 1.05 . . . . 0.0 113.405 -179.192 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 74.72 126.86 0.17 Allowed Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.099 0.874 . . . . 0.0 110.98 179.933 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 52' ' ' SER . . . . . 0.459 ' HB3' ' CGD' ' A' ' 83' ' ' HEM . 14.1 t -112.12 166.97 10.78 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.355 0.679 . . . . 0.0 109.692 179.679 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -170.61 106.26 0.29 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.49 1.119 . . . . 0.0 110.465 -179.744 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 133.36 43.35 0.15 Allowed Glycine 0 CA--C 1.53 0.976 0 O-C-N 124.408 1.067 . . . . 0.0 111.165 179.871 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 55' ' ' VAL . . . . . 0.542 HG12 ' CD1' ' A' ' 56' ' ' TRP . 22.0 t -131.39 -65.19 0.62 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.463 0.743 . . . . 0.0 109.128 179.98 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 56' ' ' TRP . . . . . 0.542 ' CD1' HG12 ' A' ' 55' ' ' VAL . 2.2 m95 -110.44 -43.05 3.95 Favored 'General case' 0 C--N 1.325 -0.46 0 N-CA-C 107.757 -1.201 . . . . 0.0 107.757 179.243 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -159.43 167.22 35.03 Favored Glycine 0 CA--C 1.531 1.055 0 O-C-N 124.666 1.228 . . . . 0.0 110.974 -179.9 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 58' ' ' PRO . . . . . . . . . . . . . 1.1 Cg_endo -68.21 -155.89 0.04 OUTLIER 'Trans proline' 0 C--N 1.36 1.159 0 O-C-N 124.495 1.787 . . . . 0.0 110.753 179.433 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 59' ' ' ILE . . . . . . . . . . . . . 0.5 OUTLIER 73.81 111.6 0.03 OUTLIER Pre-proline 0 C--N 1.325 -0.496 0 O-C-N 124.537 1.148 . . . . 0.0 109.267 179.92 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 60' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -76.83 122.98 6.58 Favored 'Trans proline' 0 C--N 1.36 1.178 0 O-C-N 124.425 1.75 . . . . 0.0 111.116 179.816 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 61' ' ' MET . . . . . 0.433 ' HB2' ' C1D' ' A' ' 83' ' ' HEM . 3.9 ttp -67.1 141.44 96.42 Favored Pre-proline 0 C--N 1.325 -0.478 0 O-C-N 124.484 1.115 . . . . 0.0 110.821 -179.97 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 62' ' ' PRO . . . . . 0.467 ' CG ' HBC2 ' A' ' 83' ' ' HEM . 21.5 Cg_exo -47.33 107.32 0.12 Allowed 'Trans proline' 0 C--N 1.362 1.253 0 O-C-N 124.492 1.785 . . . . 0.0 111.58 -179.223 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 63' ' ' PRO . . . . . . . . . . . . . 14.8 Cg_endo -69.02 99.07 0.65 Allowed 'Trans proline' 0 C--N 1.361 1.187 0 O-C-N 124.408 1.741 . . . . 0.0 110.446 179.35 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER -65.26 -167.4 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.458 1.099 . . . . 0.0 109.677 -179.512 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -155.08 94.28 1.62 Allowed 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.426 1.079 . . . . 0.0 109.164 -179.992 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 66' ' ' VAL . . . . . 0.612 HG23 ' HG3' ' A' ' 49' ' ' LYS . 0.6 OUTLIER -121.8 -143.22 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.323 -0.556 0 O-C-N 124.461 1.101 . . . . 0.0 109.147 -179.951 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 5.1 m -163.93 41.2 0.09 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.4 1.063 . . . . 0.0 110.189 -179.881 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 9.6 t70 70.17 148.38 0.07 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.468 1.105 . . . . 0.0 109.547 179.847 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 69' ' ' ASP . . . . . 0.426 ' O ' ' CB ' ' A' ' 70' ' ' GLU . 8.0 t0 69.77 88.05 0.11 Allowed 'General case' 0 CA--C 1.54 0.568 0 N-CA-C 107.817 -1.179 . . . . 0.0 107.817 -178.964 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 70' ' ' GLU . . . . . 0.426 ' CB ' ' O ' ' A' ' 69' ' ' ASP . 11.3 mm-40 140.37 -37.71 0.01 OUTLIER 'General case' 0 CA--C 1.559 1.317 0 N-CA-C 105.78 -1.933 . . . . 0.0 105.78 -177.811 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -97.47 -25.02 15.33 Favored 'General case' 0 CA--C 1.538 0.513 0 CA-C-N 112.609 -2.087 . . . . 0.0 107.137 175.966 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 11.2 tt0 -67.96 -36.95 80.94 Favored 'General case' 0 C--N 1.327 -0.382 0 O-C-N 125.029 1.456 . . . . 0.0 109.904 179.322 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -71.61 -45.1 63.11 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.45 1.094 . . . . 0.0 110.114 179.813 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 74' ' ' LEU . . . . . 0.642 HD11 ' HB3' ' A' ' 6' ' ' LEU . 0.4 OUTLIER -59.24 -41.37 88.58 Favored 'General case' 0 C--N 1.326 -0.421 0 O-C-N 124.554 1.159 . . . . 0.0 110.355 -179.547 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 75' ' ' ALA . . . . . 0.465 ' HB2' ' HA ' ' A' ' 45' ' ' ALA . . . -66.86 -31.71 72.5 Favored 'General case' 0 N--CA 1.45 -0.449 0 O-C-N 124.304 1.003 . . . . 0.0 111.22 -179.047 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -76.6 -21.24 55.83 Favored 'General case' 0 C--N 1.323 -0.548 0 CA-C-N 115.055 -0.975 . . . . 0.0 109.381 -179.349 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 77' ' ' TRP . . . . . 0.635 ' CE3' ' CE2' ' A' ' 27' ' ' TYR . 36.3 t90 -79.47 -25.85 41.8 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.461 1.101 . . . . 0.0 108.967 -179.799 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 78' ' ' VAL . . . . . 1.046 HG21 HMA2 ' A' ' 83' ' ' HEM . 0.0 OUTLIER -77.1 -52.33 16.91 Favored 'Isoleucine or valine' 0 CA--C 1.551 0.991 0 N-CA-C 106.394 -1.706 . . . . 0.0 106.394 177.802 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -50.67 -71.44 0.06 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 125.082 1.489 . . . . 0.0 108.887 179.17 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 2.1 p -96.42 133.62 40.61 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.811 1.32 . . . . 0.0 110.121 -179.885 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 81' ' ' GLN . . . . . . . . . . . . . 1.2 pp0? -92.13 -177.71 4.76 Favored 'General case' 0 C--N 1.327 -0.389 0 O-C-N 124.419 1.074 . . . . 0.0 110.21 179.994 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 22.7 tttt . . . . . 0 C--N 1.324 -0.51 0 O-C-N 124.54 1.15 . . . . 0.0 109.21 179.791 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 83' ' ' HEM . . . . . 1.046 HMA2 HG21 ' A' ' 78' ' ' VAL . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 1' ' ' GLU . . . . . . . . . . . . . 16.0 tt0 . . . . . 0 N--CA 1.453 -0.284 0 N-CA-C 110.206 -0.294 . . . . 0.0 110.206 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 11.2 m-20 -141.61 82.91 13.63 Favored Pre-proline 0 C--N 1.325 -0.473 0 O-C-N 124.447 1.092 . . . . 0.0 109.086 179.849 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 3' ' ' PRO . . . . . 0.527 ' HB2' ' CG ' ' A' ' 77' ' ' TRP . 20.2 Cg_endo -72.09 -12.89 28.45 Favored 'Trans proline' 0 C--N 1.36 1.172 0 O-C-N 124.562 1.822 . . . . 0.0 111.18 179.692 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 4' ' ' GLU . . . . . 0.532 ' HG2' ' CZ2' ' A' ' 77' ' ' TRP . 13.8 mt-10 -81.63 -27.38 34.17 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.608 1.192 . . . . 0.0 108.967 179.298 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 75.1 t -85.93 -23.37 7.03 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.537 0 O-C-N 124.925 1.39 . . . . 0.0 108.371 178.185 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 6' ' ' LEU . . . . . 0.604 ' HB3' HD21 ' A' ' 74' ' ' LEU . 0.3 OUTLIER -80.43 -40.59 26.05 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.542 1.151 . . . . 0.0 110.226 -179.775 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 7' ' ' PHE . . . . . 0.796 ' CZ ' HG23 ' A' ' 13' ' ' VAL . 4.6 t80 -72.36 -21.84 61.24 Favored 'General case' 0 C--N 1.327 -0.386 0 O-C-N 124.533 1.146 . . . . 0.0 111.635 -179.527 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 6.3 tptt -95.7 -7.73 36.56 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.681 1.238 . . . . 0.0 110.464 -179.614 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 11.7 t-20 -45.75 -74.69 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.066 0.854 . . . . 0.0 110.416 179.979 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 174.35 80.37 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.573 1.171 . . . . 0.0 109.635 179.874 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 11' ' ' GLY . . . . . 0.677 ' O ' HMC1 ' A' ' 83' ' ' HEM . . . 174.15 -64.95 0.11 Allowed Glycine 0 CA--C 1.527 0.815 0 O-C-N 124.658 1.224 . . . . 0.0 113.052 179.731 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 12' ' ' CYS . . . . . 0.555 ' CB ' ' CD1' ' A' ' 7' ' ' PHE . 59.9 m -59.61 -60.41 3.88 Favored 'General case' 0 N--CA 1.449 -0.483 0 O-C-N 124.061 0.506 . . . . 0.0 110.813 -178.498 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 13' ' ' VAL . . . . . 0.796 HG23 ' CZ ' ' A' ' 7' ' ' PHE . 0.3 OUTLIER -63.97 -4.39 1.49 Allowed 'Isoleucine or valine' 0 CA--C 1.537 0.45 0 N-CA-C 113.793 1.034 . . . . 0.0 113.793 -177.178 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -53.58 -24.79 14.76 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 125.898 1.999 . . . . 0.0 108.54 179.447 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 1.6 p -165.35 21.55 0.05 OUTLIER 'General case' 0 C--O 1.238 0.493 0 O-C-N 125.089 1.493 . . . . 0.0 113.21 -179.328 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 16' ' ' HIS . . . . . 0.574 ' CE1' ' HD2' ' A' ' 25' ' ' PRO . 2.0 m-70 -97.44 -74.34 0.58 Allowed 'General case' 0 C--N 1.326 -0.419 0 N-CA-C 115.544 1.683 . . . . 0.0 115.544 -178.028 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 17' ' ' ALA . . . . . 0.589 ' HB1' HG23 ' A' ' 20' ' ' THR . . . 72.0 158.11 0.19 Allowed 'General case' 0 CA--C 1.541 0.6 0 N-CA-C 107.156 -1.424 . . . . 0.0 107.156 -175.601 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 18' ' ' ILE . . . . . 0.613 HD12 ' N ' ' A' ' 19' ' ' ASP . 1.1 pp -101.9 -53.25 7.69 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 O-C-N 124.273 0.983 . . . . 0.0 113.378 -177.963 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 19' ' ' ASP . . . . . 0.613 ' N ' HD12 ' A' ' 18' ' ' ILE . 0.1 OUTLIER -93.54 11.75 27.59 Favored 'General case' 0 N--CA 1.452 -0.348 0 CA-C-N 115.412 -0.813 . . . . 0.0 111.49 -178.548 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 20' ' ' THR . . . . . 0.589 HG23 ' HB1' ' A' ' 17' ' ' ALA . 0.1 OUTLIER -136.32 161.9 34.5 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.427 1.079 . . . . 0.0 110.052 179.028 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -130.1 128.67 42.34 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.75 1.281 . . . . 0.0 109.585 -179.539 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 22' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -130.21 -88.94 0.49 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.338 1.024 . . . . 0.0 110.122 179.545 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 1.5 t -96.52 -39.3 9.11 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 N-CA-C 107.713 -1.217 . . . . 0.0 107.713 178.251 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -105.09 168.13 15.5 Favored Glycine 0 CA--C 1.532 1.152 0 O-C-N 124.897 1.373 . . . . 0.0 111.065 179.919 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 25' ' ' PRO . . . . . 0.699 ' CD ' ' CHA' ' A' ' 83' ' ' HEM . 41.6 Cg_endo -67.84 156.07 67.39 Favored 'Trans proline' 0 N--CA 1.448 -1.159 0 C-N-CA 122.151 1.901 . . . . 0.0 112.081 -179.246 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -82.15 127.86 33.57 Favored 'General case' 0 C--N 1.324 -0.51 0 N-CA-C 106.59 -1.633 . . . . 0.0 106.59 176.867 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 27' ' ' TYR . . . . . 0.613 ' CE2' ' CZ3' ' A' ' 77' ' ' TRP . 8.6 m-85 -56.38 -32.16 64.5 Favored 'General case' 0 C--N 1.323 -0.565 0 O-C-N 124.911 1.382 . . . . 0.0 111.059 -178.373 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -69.34 -39.67 78.0 Favored 'General case' 0 CA--C 1.535 0.386 0 O-C-N 124.576 1.172 . . . . 0.0 109.521 179.773 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 29' ' ' ASP . . . . . 0.465 ' HB3' ' CH2' ' A' ' 56' ' ' TRP . 5.6 m-20 -64.23 -34.42 78.06 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.638 1.211 . . . . 0.0 109.214 179.74 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 30' ' ' VAL . . . . . 0.573 HG11 HG13 ' A' ' 78' ' ' VAL . 53.2 t -70.0 -35.09 62.63 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.363 0 CA-C-N 114.287 -1.324 . . . . 0.0 107.658 178.866 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -94.04 20.9 7.31 Favored 'General case' 0 CA--C 1.537 0.443 0 O-C-N 124.545 1.153 . . . . 0.0 108.893 177.767 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -120.44 -1.11 10.21 Favored 'General case' 0 CA--C 1.548 0.894 0 CA-C-N 114.59 -1.186 . . . . 0.0 108.665 176.863 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 33' ' ' LYS . . . . . 0.563 ' HB3' ' CD1' ' A' ' 34' ' ' PHE . 0.0 OUTLIER -122.45 -61.34 1.47 Allowed 'General case' 0 C--N 1.323 -0.55 0 O-C-N 124.824 1.327 . . . . 0.0 109.444 178.848 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 34' ' ' PHE . . . . . 0.696 ' HB2' HD21 ' A' ' 79' ' ' LEU . 0.0 OUTLIER -105.37 30.41 5.68 Favored 'General case' 0 N--CA 1.444 -0.767 0 N-CA-C 114.424 1.268 . . . . 0.0 114.424 -179.72 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -73.05 -10.05 59.39 Favored 'General case' 0 CA--C 1.569 1.679 0 O-C-N 125.262 1.601 . . . . 0.0 107.525 173.401 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 36' ' ' GLY . . . . . 0.492 ' C ' ' HG3' ' A' ' 37' ' ' GLN . . . -94.06 -39.81 4.75 Favored Glycine 0 CA--C 1.551 2.308 0 N-CA-C 105.511 -3.036 . . . . 0.0 105.511 171.561 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 37' ' ' GLN . . . . . 0.492 ' HG3' ' C ' ' A' ' 36' ' ' GLY . 2.3 mt-30 81.19 -164.67 0.02 OUTLIER 'General case' 0 N--CA 1.444 -0.729 0 N-CA-C 117.04 2.237 . . . . 0.0 117.04 173.761 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 38' ' ' ALA . . . . . 0.447 ' HB3' ' O ' ' A' ' 37' ' ' GLN . . . 78.56 104.13 0.07 Allowed 'General case' 0 CA--C 1.541 0.603 0 N-CA-C 107.04 -1.467 . . . . 0.0 107.04 -177.095 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 162.92 -27.49 0.24 Allowed Glycine 0 CA--C 1.534 1.226 0 O-C-N 124.61 1.194 . . . . 0.0 110.132 -178.897 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -173.3 -91.71 0.01 OUTLIER 'General case' 0 N--CA 1.452 -0.373 0 O-C-N 125.297 1.234 . . . . 0.0 113.401 179.424 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 1.3 tt0 50.92 25.1 2.05 Favored 'General case' 0 CA--C 1.541 0.609 0 CA-C-O 121.708 0.766 . . . . 0.0 109.349 -177.321 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -141.79 -53.82 0.44 Allowed 'General case' 0 CA--C 1.544 0.74 0 N-CA-C 105.278 -2.119 . . . . 0.0 105.278 177.576 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 43' ' ' GLU . . . . . 0.423 ' HA ' ' HB2' ' A' ' 46' ' ' GLN . 1.7 pt-20 -85.33 3.93 37.47 Favored 'General case' 0 CA--C 1.54 0.575 0 O-C-N 125.764 1.915 . . . . 0.0 109.596 174.984 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -88.4 -38.28 15.2 Favored 'General case' 0 CA--C 1.543 0.685 0 N-CA-C 106.018 -1.845 . . . . 0.0 106.018 176.236 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -71.29 -26.29 62.8 Favored 'General case' 0 C--N 1.327 -0.412 0 O-C-N 125.377 1.673 . . . . 0.0 108.247 177.605 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 46' ' ' GLN . . . . . 0.423 ' HB2' ' HA ' ' A' ' 43' ' ' GLU . 1.4 mt-30 -79.99 -18.19 50.93 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 114.502 -1.226 . . . . 0.0 110.485 -179.936 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 47' ' ' ARG . . . . . 0.443 ' HG3' ' HA ' ' A' ' 52' ' ' SER . 0.3 OUTLIER -76.03 -32.98 59.62 Favored 'General case' 0 CA--C 1.542 0.654 0 O-C-N 125.077 1.486 . . . . 0.0 107.683 177.27 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 48' ' ' ILE . . . . . 0.861 HD13 HMB3 ' A' ' 83' ' ' HEM . 2.0 mt -63.21 -29.1 46.39 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.441 0 O-C-N 125.162 1.538 . . . . 0.0 109.115 178.82 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 2.9 ttpm? -114.92 6.44 15.37 Favored 'General case' 0 N--CA 1.45 -0.458 0 O-C-N 124.442 1.089 . . . . 0.0 113.434 -177.745 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 2.0 t-20 -148.41 13.48 0.96 Allowed 'General case' 0 N--CA 1.452 -0.345 0 O-C-N 123.957 0.786 . . . . 0.0 112.404 -179.231 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 70.34 146.32 0.32 Allowed Glycine 0 CA--C 1.531 1.043 0 O-C-N 124.227 0.955 . . . . 0.0 111.064 179.767 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 52' ' ' SER . . . . . 0.474 ' HB3' ' CGD' ' A' ' 83' ' ' HEM . 0.2 OUTLIER -72.51 -19.44 61.53 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.475 0.75 . . . . 0.0 111.295 -179.609 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER 79.47 -8.13 1.63 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.373 1.045 . . . . 0.0 112.198 179.943 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 117.75 96.7 1.86 Allowed Glycine 0 CA--C 1.529 0.962 0 O-C-N 124.14 0.9 . . . . 0.0 111.474 179.75 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 55' ' ' VAL . . . . . 0.587 HG12 ' CD1' ' A' ' 56' ' ' TRP . 11.7 t -122.61 -50.47 2.73 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.395 0.703 . . . . 0.0 109.162 179.683 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 56' ' ' TRP . . . . . 0.587 ' CD1' HG12 ' A' ' 55' ' ' VAL . 1.4 m95 -102.04 -54.59 2.67 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.571 1.17 . . . . 0.0 107.979 179.81 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -122.48 167.33 14.92 Favored Glycine 0 CA--C 1.53 1.028 0 O-C-N 124.565 1.166 . . . . 0.0 110.894 -179.826 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 58' ' ' PRO . . . . . . . . . . . . . 37.1 Cg_endo -85.28 24.04 0.79 Allowed 'Trans proline' 0 C--N 1.358 1.042 0 O-C-N 124.375 1.723 . . . . 0.0 112.454 179.832 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 59' ' ' ILE . . . . . 0.487 ' O ' HMD3 ' A' ' 83' ' ' HEM . 1.3 tt -110.58 87.55 6.67 Favored Pre-proline 0 C--N 1.326 -0.436 0 O-C-N 124.227 0.955 . . . . 0.0 109.202 179.925 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 60' ' ' PRO . . . . . . . . . . . . . 2.7 Cg_endo -49.28 136.68 31.32 Favored 'Trans proline' 0 C--N 1.36 1.172 0 O-C-N 124.526 1.803 . . . . 0.0 110.848 -179.47 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 61' ' ' MET . . . . . 0.433 ' HE3' ' O ' ' A' ' 47' ' ' ARG . 5.8 ttp -74.34 125.73 89.62 Favored Pre-proline 0 C--N 1.325 -0.489 0 O-C-N 124.6 1.187 . . . . 0.0 110.64 179.862 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 62' ' ' PRO . . . . . 0.523 ' HG2' HBC2 ' A' ' 83' ' ' HEM . 24.0 Cg_exo -47.7 121.23 5.43 Favored 'Trans proline' 0 C--N 1.36 1.178 0 O-C-N 124.514 1.797 . . . . 0.0 110.967 -179.214 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 63' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -70.52 159.03 54.21 Favored 'Trans proline' 0 C--N 1.36 1.176 0 O-C-N 124.239 1.652 . . . . 0.0 110.855 179.625 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER 70.64 110.76 0.06 Allowed 'General case' 0 C--N 1.324 -0.534 0 O-C-N 124.725 1.266 . . . . 0.0 109.418 -179.904 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -146.69 -47.67 0.19 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.449 1.093 . . . . 0.0 109.095 179.849 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 0.1 OUTLIER -149.26 154.0 10.1 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.425 0 O-C-N 124.468 1.105 . . . . 0.0 109.165 179.892 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 22.7 m -71.19 174.27 6.6 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.59 1.181 . . . . 0.0 109.907 -179.964 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 68' ' ' ASP . . . . . 0.421 ' O ' ' CB ' ' A' ' 69' ' ' ASP . 7.0 t70 -61.11 138.29 58.21 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.57 1.169 . . . . 0.0 109.064 179.913 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 69' ' ' ASP . . . . . 0.421 ' CB ' ' O ' ' A' ' 68' ' ' ASP . 9.3 t0 89.38 -39.41 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.602 1.189 . . . . 0.0 108.959 -178.944 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 35.0 mm-40 -74.78 -25.49 59.1 Favored 'General case' 0 C--N 1.323 -0.548 0 O-C-N 124.822 1.326 . . . . 0.0 108.687 177.76 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -89.71 -44.33 10.09 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-N 114.372 -1.286 . . . . 0.0 108.07 178.448 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 5.8 tt0 -51.84 -33.7 37.28 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.786 1.303 . . . . 0.0 110.68 179.657 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 73' ' ' THR . . . . . 0.67 HG22 HD22 ' A' ' 74' ' ' LEU . 0.9 OUTLIER -68.89 -50.97 45.05 Favored 'General case' 0 C--N 1.327 -0.407 0 O-C-N 124.424 1.077 . . . . 0.0 109.893 179.695 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 74' ' ' LEU . . . . . 0.67 HD22 HG22 ' A' ' 73' ' ' THR . 4.2 mm? -70.86 -9.37 57.49 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.726 1.266 . . . . 0.0 110.781 -179.659 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -89.57 -31.21 17.7 Favored 'General case' 0 C--N 1.325 -0.457 0 N-CA-C 108.477 -0.935 . . . . 0.0 108.477 179.062 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 3.6 tttp -72.03 -48.31 45.45 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 125.001 1.438 . . . . 0.0 109.012 -179.786 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 77' ' ' TRP . . . . . 0.613 ' CZ3' ' CE2' ' A' ' 27' ' ' TYR . 72.0 t90 -66.16 -32.01 73.19 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.645 1.215 . . . . 0.0 108.107 -179.801 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 78' ' ' VAL . . . . . 0.738 HG21 HMA2 ' A' ' 83' ' ' HEM . 0.6 OUTLIER -58.85 -48.78 85.2 Favored 'Isoleucine or valine' 0 CA--C 1.547 0.848 0 N-CA-C 105.097 -2.186 . . . . 0.0 105.097 176.411 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 79' ' ' LEU . . . . . 0.696 HD21 ' HB2' ' A' ' 34' ' ' PHE . 0.2 OUTLIER -99.63 34.53 2.21 Favored 'General case' 0 N--CA 1.452 -0.357 0 CA-C-N 112.848 -1.978 . . . . 0.0 113.342 -177.376 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 15.8 t -155.01 20.49 0.44 Allowed 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.306 1.003 . . . . 0.0 110.956 179.485 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 81' ' ' GLN . . . . . . . . . . . . . 1.5 pt20 42.34 -98.68 0.03 OUTLIER 'General case' 0 C--N 1.323 -0.544 0 O-C-N 124.705 1.253 . . . . 0.0 112.005 179.557 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.325 -0.499 0 O-C-N 124.345 1.028 . . . . 0.0 109.152 179.696 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 83' ' ' HEM . . . . . 0.861 HMB3 HD13 ' A' ' 48' ' ' ILE . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 1' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 N--CA 1.453 -0.291 0 N-CA-C 110.167 -0.308 . . . . 0.0 110.167 . . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -172.55 89.59 0.41 Allowed Pre-proline 0 C--N 1.325 -0.461 0 O-C-N 124.377 1.048 . . . . 0.0 109.297 -179.975 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 3' ' ' PRO . . . . . 0.543 ' HB2' ' CG ' ' A' ' 77' ' ' TRP . 5.3 Cg_endo -73.39 -13.58 25.31 Favored 'Trans proline' 0 C--N 1.359 1.112 0 O-C-N 124.501 1.79 . . . . 0.0 111.601 -179.837 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 51.5 mt-10 -83.04 -28.03 29.89 Favored 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.796 1.31 . . . . 0.0 108.497 178.252 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 55.8 t -78.06 -31.76 16.86 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.398 0 CA-C-N 114.172 -1.376 . . . . 0.0 108.125 178.47 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 6' ' ' LEU . . . . . 0.579 ' HB3' HD11 ' A' ' 74' ' ' LEU . 0.3 OUTLIER -74.76 -39.29 61.89 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.859 1.349 . . . . 0.0 107.691 178.398 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 7' ' ' PHE . . . . . 0.874 ' CE2' HG23 ' A' ' 13' ' ' VAL . 14.6 t80 -60.52 -17.36 45.07 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 114.242 -1.345 . . . . 0.0 111.975 179.756 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 11.2 tptt -115.98 -13.24 11.27 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.16 0.912 . . . . 0.0 111.092 -178.999 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 9' ' ' ASN . . . . . 0.409 ' HB3' ' HA ' ' A' ' 6' ' ' LEU . 0.1 OUTLIER -62.37 -31.7 72.39 Favored 'General case' 0 N--CA 1.449 -0.5 0 N-CA-C 114.02 1.119 . . . . 0.0 114.02 -178.309 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -111.18 -88.39 0.52 Allowed 'General case' 0 C--N 1.326 -0.449 0 O-C-N 123.869 0.731 . . . . 0.0 112.012 -178.361 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 11' ' ' GLY . . . . . 0.507 ' O ' HMC1 ' A' ' 83' ' ' HEM . . . -163.54 20.93 0.16 Allowed Glycine 0 CA--C 1.527 0.837 0 O-C-N 124.594 1.184 . . . . 0.0 113.969 -178.855 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 12' ' ' CYS . . . . . 0.607 ' HB2' ' CD1' ' A' ' 7' ' ' PHE . 15.5 m -59.68 -52.92 63.45 Favored 'General case' 0 N--CA 1.448 -0.561 0 N-CA-C 108.285 -1.005 . . . . 0.0 108.285 179.443 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 13' ' ' VAL . . . . . 0.874 HG23 ' CE2' ' A' ' 7' ' ' PHE . 0.3 OUTLIER -52.32 -11.17 0.25 Allowed 'Isoleucine or valine' 0 CA--C 1.539 0.548 0 N-CA-C 114.695 1.369 . . . . 0.0 114.695 -176.796 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -49.99 -45.48 51.74 Favored 'General case' 0 C--N 1.323 -0.548 0 O-C-N 126.12 2.137 . . . . 0.0 108.387 178.998 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -145.64 12.79 1.33 Allowed 'General case' 0 N--CA 1.45 -0.463 0 O-C-N 124.857 1.348 . . . . 0.0 112.675 -179.281 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 16' ' ' HIS . . . . . 0.599 ' CE1' ' HD2' ' A' ' 25' ' ' PRO . 6.1 m-70 -101.81 64.41 0.97 Allowed 'General case' 0 N--CA 1.451 -0.412 0 N-CA-C 115.849 1.796 . . . . 0.0 115.849 -177.98 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 17' ' ' ALA . . . . . 0.435 ' HB3' ' O ' ' A' ' 20' ' ' THR . . . -55.42 167.02 0.53 Allowed 'General case' 0 CA--C 1.54 0.581 0 N-CA-C 107.785 -1.191 . . . . 0.0 107.785 177.034 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 18' ' ' ILE . . . . . 0.786 HD13 ' CB ' ' A' ' 27' ' ' TYR 0.287 0.1 OUTLIER -129.3 55.94 0.34 Allowed 'Isoleucine or valine' 0 CA--C 1.55 0.969 0 N-CA-C 105.471 -2.048 . . . . 0.0 105.471 177.221 . . . . . . . . 4 4 . 1 . 004 nuclear nobuild full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER 165.43 -23.79 0.0 OUTLIER 'General case' 0 N--CA 1.453 -0.323 0 CA-C-N 112.41 -2.177 . . . . 0.0 110.707 179.248 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 20' ' ' THR . . . . . 0.435 ' O ' ' HB3' ' A' ' 17' ' ' ALA . 0.3 OUTLIER -126.16 174.04 8.79 Favored 'General case' 0 C--N 1.323 -0.57 0 O-C-N 124.221 0.951 . . . . 0.0 110.207 179.744 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 1.6 pttp -128.97 138.28 51.87 Favored 'General case' 0 C--N 1.327 -0.403 0 O-C-N 124.377 1.048 . . . . 0.0 111.098 -179.431 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 22' ' ' MET . . . . . . . . . . . . . 2.2 tpp -134.67 -69.54 0.52 Allowed 'General case' 0 C--N 1.325 -0.474 0 CA-C-N 114.759 -1.109 . . . . 0.0 109.365 178.829 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 23' ' ' VAL . . . . . 0.614 HG12 HMD1 ' A' ' 83' ' ' HEM . 2.7 t -122.26 -49.0 2.65 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.519 0 N-CA-C 107.353 -1.351 . . . . 0.0 107.353 177.826 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -91.18 161.92 28.1 Favored Glycine 0 CA--C 1.534 1.26 0 O-C-N 124.845 1.34 . . . . 0.0 110.202 178.846 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 25' ' ' PRO . . . . . 0.648 ' CD ' ' CHA' ' A' ' 83' ' ' HEM . 46.8 Cg_endo -67.66 134.11 31.76 Favored 'Trans proline' 0 C--N 1.359 1.103 0 O-C-N 124.417 1.746 . . . . 0.0 114.097 -178.885 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 26' ' ' ALA . . . . . 0.485 ' HB3' ' OD2' ' A' ' 29' ' ' ASP . . . -57.73 123.3 15.22 Favored 'General case' 0 C--N 1.324 -0.507 0 N-CA-C 105.732 -1.951 . . . . 0.0 105.732 175.735 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 27' ' ' TYR . . . . . 0.869 ' CE2' HG13 ' A' ' 78' ' ' VAL . 5.2 m-85 -57.37 -16.53 9.29 Favored 'General case' 0 C--N 1.323 -0.576 0 O-C-N 124.873 1.358 . . . . 0.0 111.566 -178.019 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -82.08 -39.7 23.04 Favored 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.624 1.202 . . . . 0.0 111.588 -179.059 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 29' ' ' ASP . . . . . 0.485 ' OD2' ' HB3' ' A' ' 26' ' ' ALA . 5.1 p30 -72.62 -25.9 61.48 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.797 1.31 . . . . 0.0 109.209 -179.869 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 1.5 t -73.3 -36.31 48.93 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 N-CA-C 107.255 -1.387 . . . . 0.0 107.255 178.072 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 31' ' ' ALA . . . . . 0.603 ' HA ' ' HB2' ' A' ' 35' ' ' ALA . . . -88.84 15.84 7.78 Favored 'General case' 0 C--N 1.328 -0.346 0 O-C-N 124.997 1.436 . . . . 0.0 109.983 179.371 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -144.96 18.08 1.6 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.175 0.922 . . . . 0.0 111.252 179.765 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -167.12 44.62 0.05 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.332 1.02 . . . . 0.0 108.561 179.314 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 34' ' ' PHE . . . . . 0.4 ' CE2' HD22 ' A' ' 79' ' ' LEU . 10.0 t80 170.25 -31.23 0.0 OUTLIER 'General case' 0 CA--C 1.54 0.593 0 O-C-N 124.575 1.172 . . . . 0.0 110.18 179.82 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 35' ' ' ALA . . . . . 0.603 ' HB2' ' HA ' ' A' ' 31' ' ' ALA . . . -48.67 138.03 11.31 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 125.525 1.766 . . . . 0.0 108.396 178.753 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 103.05 -7.43 52.47 Favored Glycine 0 CA--C 1.531 1.073 0 O-C-N 124.571 1.169 . . . . 0.0 111.101 -177.921 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -92.05 60.53 3.82 Favored 'General case' 0 C--N 1.326 -0.417 0 N-CA-C 109.274 -0.639 . . . . 0.0 109.274 179.127 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -55.68 169.38 0.34 Allowed 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 114.695 -1.139 . . . . 0.0 110.84 -178.954 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 67.49 26.07 73.7 Favored Glycine 0 CA--C 1.529 0.925 0 CA-C-N 114.86 -1.063 . . . . 0.0 112.475 179.429 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -124.42 -11.65 7.36 Favored 'General case' 0 N--CA 1.45 -0.459 0 O-C-N 124.26 0.624 . . . . 0.0 111.882 -179.492 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 23.8 pt-20 -63.95 -9.88 18.13 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.068 0.855 . . . . 0.0 112.358 -179.277 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -77.86 -54.15 6.66 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.51 1.131 . . . . 0.0 108.697 179.766 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -80.74 2.4 26.27 Favored 'General case' 0 CA--C 1.537 0.475 0 O-C-N 124.774 1.297 . . . . 0.0 110.798 178.501 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 44' ' ' LEU . . . . . 0.688 ' O ' HG23 ' A' ' 48' ' ' ILE . 13.9 tp -90.16 -37.56 14.1 Favored 'General case' 0 C--N 1.324 -0.51 0 N-CA-C 106.989 -1.485 . . . . 0.0 106.989 176.831 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -67.6 -22.37 65.37 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.988 1.43 . . . . 0.0 109.175 178.708 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 46' ' ' GLN . . . . . . . . . . . . . 74.9 mt-30 -83.92 -24.35 30.79 Favored 'General case' 0 CA--C 1.537 0.463 0 O-C-N 124.744 1.278 . . . . 0.0 109.893 -179.477 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -79.73 -39.72 30.47 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.989 1.43 . . . . 0.0 109.651 178.702 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 48' ' ' ILE . . . . . 0.937 HD12 HMB3 ' A' ' 83' ' ' HEM . 0.3 OUTLIER -83.29 -0.24 5.05 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 125.003 1.439 . . . . 0.0 110.104 179.107 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 49' ' ' LYS . . . . . 0.668 ' CG ' HG23 ' A' ' 66' ' ' VAL . 0.9 OUTLIER -124.41 -5.18 7.73 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.051 0.845 . . . . 0.0 111.451 179.908 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 3.8 t-20 -144.64 4.04 1.14 Allowed 'General case' 0 N--CA 1.449 -0.504 0 O-C-N 124.5 1.125 . . . . 0.0 113.015 -179.677 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 83.01 162.54 32.59 Favored Glycine 0 CA--C 1.53 0.973 0 O-C-N 123.973 0.796 . . . . 0.0 111.969 179.32 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 6.4 p -109.91 -159.99 0.7 Allowed 'General case' 0 C--N 1.327 -0.409 0 O-C-N 124.446 0.733 . . . . 0.0 109.741 179.747 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -121.35 -12.13 8.66 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.595 1.184 . . . . 0.0 111.697 -179.772 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 114.15 97.09 2.2 Favored Glycine 0 CA--C 1.531 1.059 0 O-C-N 124.309 1.006 . . . . 0.0 110.741 -179.727 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 24.6 t -113.65 -39.23 3.0 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.551 0.795 . . . . 0.0 109.595 -179.775 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 56' ' ' TRP . . . . . . . . . . . . . 6.6 m95 -111.35 28.93 8.27 Favored 'General case' 0 C--N 1.326 -0.42 0 N-CA-C 108.155 -1.054 . . . . 0.0 108.155 179.756 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 147.26 166.15 12.26 Favored Glycine 0 CA--C 1.529 0.968 0 O-C-N 124.54 1.15 . . . . 0.0 110.964 179.863 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 58' ' ' PRO . . . . . . . . . . . . . 2.3 Cg_endo -69.29 -42.97 3.37 Favored 'Trans proline' 0 C--N 1.359 1.111 0 O-C-N 124.665 1.876 . . . . 0.0 110.745 179.442 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 59' ' ' ILE . . . . . . . . . . . . . 6.1 tt -55.68 110.49 2.3 Favored Pre-proline 0 C--N 1.325 -0.465 0 O-C-N 124.592 1.183 . . . . 0.0 109.298 179.884 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 60' ' ' PRO . . . . . . . . . . . . . 19.4 Cg_endo -78.84 168.38 20.98 Favored 'Trans proline' 0 C--N 1.359 1.088 0 O-C-N 124.458 1.768 . . . . 0.0 110.934 -179.596 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 61' ' ' MET . . . . . 0.504 ' HB2' ' C1D' ' A' ' 83' ' ' HEM . 6.8 ttp -86.99 125.24 67.11 Favored Pre-proline 0 C--N 1.326 -0.435 0 O-C-N 124.45 1.094 . . . . 0.0 111.01 179.894 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 62' ' ' PRO . . . . . . . . . . . . . 22.4 Cg_exo -49.54 113.61 1.02 Allowed 'Trans proline' 0 C--N 1.36 1.151 0 O-C-N 124.585 1.834 . . . . 0.0 110.709 179.517 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 63' ' ' PRO . . . . . . . . . . . . . 12.0 Cg_endo -65.28 109.29 1.33 Allowed 'Trans proline' 0 C--N 1.361 1.213 0 O-C-N 124.243 1.654 . . . . 0.0 111.131 -179.611 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 1.1 t-20 -114.55 127.82 56.0 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.573 1.17 . . . . 0.0 108.981 179.66 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -81.2 134.41 35.61 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.616 1.197 . . . . 0.0 110.199 -179.522 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 66' ' ' VAL . . . . . 0.668 HG23 ' CG ' ' A' ' 49' ' ' LYS . 0.1 OUTLIER -142.68 -152.54 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.439 0 O-C-N 124.389 1.056 . . . . 0.0 108.883 179.469 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 1.4 t -115.99 155.34 28.22 Favored 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.708 1.255 . . . . 0.0 109.717 179.74 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 1.6 m-20 -82.32 83.03 7.58 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.54 1.15 . . . . 0.0 109.204 179.996 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER 166.85 -43.84 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 114.703 -1.135 . . . . 0.0 108.557 179.625 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 70' ' ' GLU . . . . . 0.457 ' O ' HD12 ' A' ' 74' ' ' LEU . 10.1 mt-10 -76.81 -26.9 54.91 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.955 1.41 . . . . 0.0 108.484 178.193 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 71' ' ' ALA . . . . . 0.464 ' O ' HD11 ' A' ' 48' ' ' ILE . . . -92.04 -28.61 17.06 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 114.184 -1.371 . . . . 0.0 108.905 179.198 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -66.05 -35.81 81.55 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.589 1.181 . . . . 0.0 110.659 -179.991 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -71.42 -43.75 66.16 Favored 'General case' 0 C--N 1.327 -0.406 0 O-C-N 124.377 1.048 . . . . 0.0 111.371 -179.627 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 74' ' ' LEU . . . . . 0.579 HD11 ' HB3' ' A' ' 6' ' ' LEU . 9.9 mt -71.64 -27.45 63.09 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.409 1.068 . . . . 0.0 110.637 -179.231 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 75' ' ' ALA . . . . . 0.421 ' O ' HD23 ' A' ' 44' ' ' LEU . . . -67.65 -23.84 65.38 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.373 1.046 . . . . 0.0 110.353 -179.401 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -92.98 -18.01 23.23 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.397 1.06 . . . . 0.0 110.03 -179.97 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 77' ' ' TRP . . . . . 0.723 ' CE3' ' CE2' ' A' ' 27' ' ' TYR . 35.5 t90 -74.18 -19.12 60.66 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.391 1.057 . . . . 0.0 109.651 -179.66 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 78' ' ' VAL . . . . . 1.03 HG21 HMA2 ' A' ' 83' ' ' HEM . 0.0 OUTLIER -84.16 -51.15 14.38 Favored 'Isoleucine or valine' 0 CA--C 1.552 1.024 0 N-CA-C 106.513 -1.662 . . . . 0.0 106.513 177.89 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 79' ' ' LEU . . . . . 0.4 HD22 ' CE2' ' A' ' 34' ' ' PHE . 0.1 OUTLIER -40.43 -56.37 2.04 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 125.431 1.707 . . . . 0.0 111.094 -179.669 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 80' ' ' SER . . . . . 0.408 ' C ' ' CG ' ' A' ' 81' ' ' GLN . 57.6 p -174.34 50.03 0.01 OUTLIER 'General case' 0 C--N 1.327 -0.41 0 O-C-N 124.55 1.156 . . . . 0.0 110.353 -179.748 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 81' ' ' GLN . . . . . 0.437 ' HA ' ' HA ' ' A' ' 77' ' ' TRP . 0.1 OUTLIER 46.01 -100.1 0.05 OUTLIER 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.642 1.214 . . . . 0.0 111.247 179.862 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--N 1.325 -0.463 0 O-C-N 124.265 0.978 . . . . 0.0 109.179 179.71 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 83' ' ' HEM . . . . . 1.03 HMA2 HG21 ' A' ' 78' ' ' VAL . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 1' ' ' GLU . . . . . . . . . . . . . 4.4 mt-10 . . . . . 0 N--CA 1.453 -0.28 0 N-CA-C 110.292 -0.262 . . . . 0.0 110.292 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 2' ' ' ASP . . . . . 0.41 ' HB2' ' HD2' ' A' ' 3' ' ' PRO . 0.5 OUTLIER -54.81 166.41 0.77 Allowed Pre-proline 0 C--N 1.325 -0.475 0 O-C-N 124.488 1.117 . . . . 0.0 109.152 179.958 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 3' ' ' PRO . . . . . 0.486 ' HB3' HG23 ' A' ' 73' ' ' THR . 9.9 Cg_endo -76.26 -10.23 19.16 Favored 'Trans proline' 0 C--N 1.36 1.154 0 O-C-N 124.486 1.782 . . . . 0.0 112.286 -179.454 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 4' ' ' GLU . . . . . 0.474 ' HA ' ' CZ2' ' A' ' 77' ' ' TRP . 19.4 tt0 -76.77 -28.88 55.85 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.565 1.165 . . . . 0.0 109.495 179.9 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 30.3 t -88.03 -33.28 6.46 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 N-CA-C 107.25 -1.389 . . . . 0.0 107.25 177.937 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -66.61 -31.85 72.81 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 113.889 -1.505 . . . . 0.0 108.624 178.888 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 7' ' ' PHE . . . . . 0.852 ' CZ ' HG23 ' A' ' 13' ' ' VAL . 0.4 OUTLIER -72.43 -33.57 67.18 Favored 'General case' 0 CA--C 1.538 0.489 0 O-C-N 124.955 1.409 . . . . 0.0 110.379 179.566 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 13.6 tttt -77.39 -1.9 32.45 Favored 'General case' 0 C--N 1.326 -0.415 0 O-C-N 124.898 1.374 . . . . 0.0 110.943 -179.527 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 9.5 t-20 -47.79 -69.47 0.12 Allowed 'General case' 0 C--N 1.323 -0.556 0 O-C-N 124.402 1.064 . . . . 0.0 109.954 -179.863 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 10' ' ' LYS . . . . . 0.413 ' HG2' ' N ' ' A' ' 11' ' ' GLY . 0.0 OUTLIER 179.77 -35.92 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.546 1.154 . . . . 0.0 110.389 179.89 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 11' ' ' GLY . . . . . 0.63 ' O ' HMC1 ' A' ' 83' ' ' HEM . . . -61.97 -67.12 2.24 Favored Glycine 0 CA--C 1.53 0.975 0 O-C-N 124.319 1.012 . . . . 0.0 113.636 -178.558 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 12' ' ' CYS . . . . . 0.565 ' CB ' ' CD2' ' A' ' 7' ' ' PHE . 60.6 m -58.89 -58.5 8.37 Favored 'General case' 0 N--CA 1.449 -0.504 0 O-C-N 124.162 0.566 . . . . 0.0 111.258 -178.279 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 13' ' ' VAL . . . . . 0.852 HG23 ' CZ ' ' A' ' 7' ' ' PHE . 0.4 OUTLIER -63.39 -4.21 1.26 Allowed 'Isoleucine or valine' 0 CA--C 1.536 0.437 0 N-CA-C 114.126 1.158 . . . . 0.0 114.126 -176.605 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -53.21 -31.26 42.23 Favored 'General case' 0 C--N 1.324 -0.537 0 O-C-N 125.817 1.948 . . . . 0.0 107.81 178.748 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 15' ' ' CYS . . . . . 0.441 ' HB2' ' HB ' ' A' ' 23' ' ' VAL . 0.8 OUTLIER -155.57 14.94 0.37 Allowed 'General case' 0 N--CA 1.449 -0.485 0 O-C-N 124.97 1.419 . . . . 0.0 112.494 -179.589 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 16' ' ' HIS . . . . . 0.562 ' CE1' ' HD2' ' A' ' 25' ' ' PRO . 8.6 m-70 -105.14 -173.66 2.35 Favored 'General case' 0 N--CA 1.45 -0.459 0 O-C-N 123.82 0.7 . . . . 0.0 110.955 179.818 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 17' ' ' ALA . . . . . 0.464 ' HB3' ' O ' ' A' ' 20' ' ' THR . . . 179.47 157.63 0.61 Allowed 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 114.318 -1.31 . . . . 0.0 108.982 179.344 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 18' ' ' ILE . . . . . 0.635 HD12 ' O ' ' A' ' 18' ' ' ILE . 0.5 OUTLIER -93.43 -28.71 4.36 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.374 0 O-C-N 124.499 1.124 . . . . 0.0 111.783 -179.117 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 17.4 p30 -134.81 27.1 3.63 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.548 1.155 . . . . 0.0 109.822 -179.779 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 20' ' ' THR . . . . . 0.464 ' O ' ' HB3' ' A' ' 17' ' ' ALA . 0.1 OUTLIER -148.02 158.66 44.18 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.532 1.145 . . . . 0.0 109.693 179.404 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -127.66 131.75 49.78 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.511 1.132 . . . . 0.0 109.949 -179.408 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 22' ' ' MET . . . . . . . . . . . . . 3.7 mtt -130.12 -91.47 0.45 Allowed 'General case' 0 C--N 1.324 -0.509 0 CA-C-N 114.979 -1.009 . . . . 0.0 110.043 179.422 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 23' ' ' VAL . . . . . 0.497 ' O ' HMD3 ' A' ' 83' ' ' HEM . 2.1 t -98.43 -38.15 7.04 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.522 0 N-CA-C 107.637 -1.245 . . . . 0.0 107.637 178.307 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -106.7 174.32 20.05 Favored Glycine 0 CA--C 1.532 1.143 0 CA-C-N 114.22 -1.354 . . . . 0.0 110.927 179.865 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 25' ' ' PRO . . . . . 0.712 ' CD ' ' CHA' ' A' ' 83' ' ' HEM . 60.8 Cg_endo -72.08 159.77 49.16 Favored 'Trans proline' 0 C--N 1.359 1.116 0 C-N-CA 121.972 1.781 . . . . 0.0 113.333 -179.102 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 26' ' ' ALA . . . . . 0.505 ' O ' HG23 ' A' ' 30' ' ' VAL . . . -89.39 142.18 27.89 Favored 'General case' 0 CA--C 1.54 0.579 0 N-CA-C 106.281 -1.748 . . . . 0.0 106.281 176.433 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 27' ' ' TYR . . . . . 0.618 ' CE2' ' CE3' ' A' ' 77' ' ' TRP . 11.0 m-85 -68.32 -26.68 65.74 Favored 'General case' 0 C--N 1.322 -0.614 0 O-C-N 125.151 1.532 . . . . 0.0 110.841 -178.46 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 3.5 tptm -75.31 -26.56 58.76 Favored 'General case' 0 C--N 1.328 -0.343 0 O-C-N 124.945 1.403 . . . . 0.0 108.614 179.408 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 29' ' ' ASP . . . . . 0.478 ' HB3' ' CH2' ' A' ' 56' ' ' TRP . 2.5 m-20 -85.27 -25.55 27.17 Favored 'General case' 0 C--N 1.323 -0.551 0 O-C-N 124.767 1.292 . . . . 0.0 107.691 177.556 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 30' ' ' VAL . . . . . 0.505 HG23 ' O ' ' A' ' 26' ' ' ALA . 8.3 t -70.37 -31.98 48.73 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.383 0 CA-C-N 114.268 -1.333 . . . . 0.0 107.552 178.012 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -79.34 -24.2 42.91 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 125.275 1.609 . . . . 0.0 109.202 179.384 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -88.14 5.39 41.56 Favored 'General case' 0 CA--C 1.536 0.44 0 O-C-N 124.955 1.41 . . . . 0.0 109.526 178.87 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 2.0 tppp? -120.87 -21.14 6.68 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.744 1.277 . . . . 0.0 110.849 179.369 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 34' ' ' PHE . . . . . 0.519 ' CZ ' HD12 ' A' ' 79' ' ' LEU . 0.1 OUTLIER -88.76 -68.26 0.78 Allowed 'General case' 0 C--N 1.323 -0.582 0 O-C-N 124.188 0.93 . . . . 0.0 109.041 179.314 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . 42.23 52.25 4.52 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.38 1.05 . . . . 0.0 111.292 177.913 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 136.88 -47.64 0.95 Allowed Glycine 0 CA--C 1.536 1.359 0 N-CA-C 109.123 -1.591 . . . . 0.0 109.123 -178.741 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 37' ' ' GLN . . . . . 0.503 ' HG3' ' HB3' ' A' ' 34' ' ' PHE . 0.0 OUTLIER 64.87 -131.08 0.3 Allowed 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 114.142 -1.029 . . . . 0.0 110.561 177.823 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 38' ' ' ALA . . . . . 0.466 ' HB3' ' O ' ' A' ' 37' ' ' GLN . . . 76.57 39.56 0.25 Allowed 'General case' 0 CA--C 1.54 0.582 0 N-CA-C 107.361 -1.348 . . . . 0.0 107.361 -177.795 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 39' ' ' GLY . . . . . 0.42 ' O ' ' HB3' ' A' ' 40' ' ' ALA . . . -112.7 31.47 6.81 Favored Glycine 0 CA--C 1.531 1.084 0 CA-C-N 114.095 -1.412 . . . . 0.0 110.757 -179.813 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 40' ' ' ALA . . . . . 0.42 ' HB3' ' O ' ' A' ' 39' ' ' GLY . . . 69.67 83.56 0.15 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.665 0.862 . . . . 0.0 111.893 179.395 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 41' ' ' GLU . . . . . 0.455 ' HA ' ' HB3' ' A' ' 44' ' ' LEU . 1.4 pt-20 -61.19 -13.95 21.78 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.851 1.345 . . . . 0.0 110.145 177.755 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -75.43 -50.76 14.85 Favored 'General case' 0 C--N 1.323 -0.552 0 O-C-N 124.725 1.266 . . . . 0.0 107.764 178.968 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 8.1 mt-10 -82.76 0.75 42.2 Favored 'General case' 0 CA--C 1.54 0.58 0 O-C-N 125.203 1.564 . . . . 0.0 110.412 177.593 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 44' ' ' LEU . . . . . 0.551 ' O ' HG23 ' A' ' 48' ' ' ILE . 0.4 OUTLIER -84.71 -37.7 20.62 Favored 'General case' 0 CA--C 1.54 0.57 0 N-CA-C 106.0 -1.852 . . . . 0.0 106.0 176.297 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 45' ' ' ALA . . . . . 0.46 ' HA ' HG12 ' A' ' 48' ' ' ILE . . . -72.08 -21.25 61.53 Favored 'General case' 0 N--CA 1.451 -0.409 0 CA-C-N 113.776 -1.557 . . . . 0.0 108.986 177.746 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 46' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER -82.58 -19.23 38.88 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.624 1.202 . . . . 0.0 110.9 -178.698 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 5.6 mtm180 -84.95 -37.72 20.17 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 125.096 1.497 . . . . 0.0 108.619 178.12 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 48' ' ' ILE . . . . . 0.803 HD12 HBB2 ' A' ' 83' ' ' HEM . 0.6 OUTLIER -77.47 -6.11 8.61 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 O-C-N 125.189 1.556 . . . . 0.0 111.239 179.672 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 49' ' ' LYS . . . . . 0.614 ' HD3' ' HB2' ' A' ' 71' ' ' ALA . 0.0 OUTLIER -126.99 -4.87 6.26 Favored 'General case' 0 N--CA 1.451 -0.411 0 O-C-N 123.993 0.808 . . . . 0.0 112.118 -179.797 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 1.8 t-20 -137.16 3.78 2.65 Favored 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.647 1.217 . . . . 0.0 111.584 179.347 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 76.77 152.89 4.89 Favored Glycine 0 CA--C 1.53 0.969 0 O-C-N 124.106 0.879 . . . . 0.0 112.585 178.983 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 4.4 m -103.19 -151.63 0.43 Allowed 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 114.716 -0.742 . . . . 0.0 109.502 179.377 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 1.8 tm0? -175.47 100.35 0.08 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.452 1.095 . . . . 0.0 110.33 179.888 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 78.43 84.27 0.56 Allowed Glycine 0 CA--C 1.531 1.035 0 O-C-N 124.51 1.131 . . . . 0.0 110.926 -179.982 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 55' ' ' VAL . . . . . 0.657 HG11 ' CGA' ' A' ' 83' ' ' HEM . 11.7 t -133.5 -65.32 0.5 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.59 0.818 . . . . 0.0 109.254 -179.983 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 56' ' ' TRP . . . . . 0.563 ' CD1' HG12 ' A' ' 55' ' ' VAL . 3.0 m95 -115.47 32.97 5.72 Favored 'General case' 0 C--N 1.326 -0.425 0 N-CA-C 107.746 -1.205 . . . . 0.0 107.746 179.282 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 107.47 -153.31 16.85 Favored Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.687 1.242 . . . . 0.0 111.234 179.751 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 58' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.75 -172.02 1.21 Allowed 'Trans proline' 0 C--N 1.36 1.181 0 O-C-N 124.467 1.772 . . . . 0.0 111.023 -179.536 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 59' ' ' ILE . . . . . . . . . . . . . 3.1 mp 54.74 79.49 0.34 Allowed Pre-proline 0 C--N 1.324 -0.519 0 O-C-N 124.485 1.116 . . . . 0.0 109.056 -179.944 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 60' ' ' PRO . . . . . . . . . . . . . 23.5 Cg_endo -78.08 173.89 13.29 Favored 'Trans proline' 0 C--N 1.36 1.169 0 O-C-N 124.446 1.761 . . . . 0.0 111.25 -179.529 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 61' ' ' MET . . . . . 0.514 ' HB2' ' C4D' ' A' ' 83' ' ' HEM . 6.8 ttp -76.29 132.13 73.76 Favored Pre-proline 0 C--N 1.325 -0.461 0 O-C-N 124.428 1.08 . . . . 0.0 110.873 179.92 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 62' ' ' PRO . . . . . 0.419 ' HD2' ' HG3' ' A' ' 61' ' ' MET . 6.9 Cg_endo -57.17 135.4 70.28 Favored 'Trans proline' 0 C--N 1.361 1.225 0 O-C-N 124.566 1.824 . . . . 0.0 110.673 179.541 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 63' ' ' PRO . . . . . . . . . . . . . 22.4 Cg_endo -73.95 100.05 1.24 Allowed 'Trans proline' 0 C--N 1.36 1.148 0 O-C-N 124.455 1.766 . . . . 0.0 110.864 -179.748 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 64' ' ' ASN . . . . . 0.428 ' HB3' ' HG3' ' A' ' 49' ' ' LYS . 0.1 OUTLIER -65.97 -169.21 0.06 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.507 1.129 . . . . 0.0 109.291 179.972 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -155.21 104.06 2.41 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.601 1.188 . . . . 0.0 109.49 179.96 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 66' ' ' VAL . . . . . 0.525 HG12 ' N ' ' A' ' 67' ' ' SER . 68.9 t -141.79 -96.58 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.492 1.12 . . . . 0.0 109.213 179.92 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 67' ' ' SER . . . . . 0.525 ' N ' HG12 ' A' ' 66' ' ' VAL . 0.4 OUTLIER -172.29 -91.14 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.455 1.097 . . . . 0.0 109.922 179.974 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 15.4 t0 -178.79 55.79 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.566 1.166 . . . . 0.0 109.578 179.921 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 24.8 t70 -146.27 -64.53 0.3 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.554 1.159 . . . . 0.0 108.982 179.502 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 47.4 tt0 -60.57 -22.39 63.64 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.665 1.228 . . . . 0.0 109.424 178.892 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 71' ' ' ALA . . . . . 0.614 ' HB2' ' HD3' ' A' ' 49' ' ' LYS . . . -88.68 -34.03 17.36 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.598 1.186 . . . . 0.0 109.112 179.51 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 14.5 mt-30 -58.04 -32.4 67.95 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.545 1.153 . . . . 0.0 110.633 -179.851 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 73' ' ' THR . . . . . 0.486 HG23 ' HB3' ' A' ' 3' ' ' PRO . 0.4 OUTLIER -80.49 -40.16 26.64 Favored 'General case' 0 C--N 1.326 -0.422 0 O-C-N 124.409 1.068 . . . . 0.0 111.146 -179.607 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 74' ' ' LEU . . . . . 0.56 HD13 HBB1 ' A' ' 83' ' ' HEM . 14.4 mt -76.83 -11.63 59.85 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.397 1.061 . . . . 0.0 111.057 -179.39 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -89.9 -22.45 22.01 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.262 0.976 . . . . 0.0 109.89 179.989 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -83.75 -18.63 37.17 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.536 1.147 . . . . 0.0 110.062 -179.543 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 77' ' ' TRP . . . . . 0.618 ' CE3' ' CE2' ' A' ' 27' ' ' TYR . 28.8 t90 -84.82 -35.88 22.01 Favored 'General case' 0 C--N 1.323 -0.566 0 N-CA-C 107.309 -1.367 . . . . 0.0 107.309 179.742 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 78' ' ' VAL . . . . . 0.95 HG21 HMA2 ' A' ' 83' ' ' HEM . 1.2 t -69.05 -51.71 41.18 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.553 0 N-CA-C 107.242 -1.392 . . . . 0.0 107.242 177.854 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 79' ' ' LEU . . . . . 0.538 ' N ' HG12 ' A' ' 78' ' ' VAL . 0.4 OUTLIER -59.12 -63.52 1.27 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 113.972 -1.467 . . . . 0.0 109.678 -179.139 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -120.61 93.05 3.91 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.294 0.996 . . . . 0.0 110.272 -179.989 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 81' ' ' GLN . . . . . . . . . . . . . 5.8 tt0 -59.67 -75.71 0.05 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.537 1.148 . . . . 0.0 110.65 179.942 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 9.3 pttt . . . . . 0 C--N 1.325 -0.47 0 O-C-N 124.48 1.112 . . . . 0.0 109.321 -179.883 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 83' ' ' HEM . . . . . 0.95 HMA2 HG21 ' A' ' 78' ' ' VAL . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 1' ' ' GLU . . . . . . . . . . . . . 39.1 mm-40 . . . . . 0 N--CA 1.453 -0.322 0 N-CA-C 110.777 -0.083 . . . . 0.0 110.777 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 2' ' ' ASP . . . . . 0.532 ' N ' ' CD ' ' A' ' 3' ' ' PRO . 0.0 OUTLIER 166.74 -46.66 0.0 OUTLIER Pre-proline 0 C--N 1.326 -0.443 0 O-C-N 124.546 1.154 . . . . 0.0 110.724 -179.99 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 3' ' ' PRO . . . . . 0.532 ' CD ' ' N ' ' A' ' 2' ' ' ASP . 1.6 Cg_endo -70.28 -14.07 34.06 Favored 'Trans proline' 0 C--N 1.359 1.09 0 O-C-N 124.186 1.624 . . . . 0.0 111.937 -179.464 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 4' ' ' GLU . . . . . 0.514 ' HG3' ' CZ2' ' A' ' 77' ' ' TRP . 4.4 mt-10 -78.61 -30.26 46.45 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.721 1.263 . . . . 0.0 108.284 178.563 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 3.8 t -82.1 -26.64 9.24 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.402 0 CA-C-N 113.98 -1.464 . . . . 0.0 108.864 179.11 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 6' ' ' LEU . . . . . 0.634 ' HB3' HD21 ' A' ' 74' ' ' LEU . 1.7 mt -83.22 -28.73 29.04 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.548 1.155 . . . . 0.0 108.662 179.373 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 7' ' ' PHE . . . . . 0.805 ' CZ ' HG23 ' A' ' 13' ' ' VAL . 15.8 t80 -68.91 -23.39 64.17 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.724 1.265 . . . . 0.0 110.922 179.908 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -103.67 -5.1 22.93 Favored 'General case' 0 C--N 1.326 -0.42 0 O-C-N 124.544 1.153 . . . . 0.0 110.807 179.878 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -87.54 -66.0 0.96 Allowed 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.127 0.892 . . . . 0.0 110.506 -179.523 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -51.82 -53.21 42.72 Favored 'General case' 0 C--N 1.326 -0.423 0 O-C-N 124.259 0.974 . . . . 0.0 110.335 -179.29 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 11' ' ' GLY . . . . . 0.544 ' O ' HMC3 ' A' ' 83' ' ' HEM . . . 131.93 27.75 0.64 Allowed Glycine 0 CA--C 1.529 0.909 0 O-C-N 124.416 1.073 . . . . 0.0 113.96 179.304 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 12' ' ' CYS . . . . . 0.623 ' HB2' ' CD1' ' A' ' 7' ' ' PHE . 1.2 m -66.73 -42.1 86.83 Favored 'General case' 0 CA--C 1.544 0.72 0 N-CA-C 108.05 -1.093 . . . . 0.0 108.05 179.515 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 13' ' ' VAL . . . . . 0.805 HG23 ' CZ ' ' A' ' 7' ' ' PHE . 0.3 OUTLIER -65.71 -6.78 4.03 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.547 0 O-C-N 125.377 1.673 . . . . 0.0 113.134 -177.29 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -54.13 -25.6 23.06 Favored 'General case' 0 CA--C 1.539 0.527 0 O-C-N 125.774 1.921 . . . . 0.0 107.84 178.447 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 15' ' ' CYS . . . . . 0.438 ' HB2' ' HB ' ' A' ' 23' ' ' VAL . 0.5 OUTLIER -155.26 16.53 0.41 Allowed 'General case' 0 N--CA 1.45 -0.441 0 O-C-N 124.743 1.277 . . . . 0.0 111.647 -179.149 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 16' ' ' HIS . . . . . 0.547 ' CE1' ' HD2' ' A' ' 25' ' ' PRO . 6.4 m-70 -115.3 164.08 14.76 Favored 'General case' 0 CA--C 1.539 0.533 0 O-C-N 123.738 0.649 . . . . 0.0 110.572 179.502 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 17' ' ' ALA . . . . . 0.426 ' HB3' ' O ' ' A' ' 20' ' ' THR . . . -153.13 155.68 37.21 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 114.182 -1.372 . . . . 0.0 108.309 178.02 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 18' ' ' ILE . . . . . 0.64 HD12 ' O ' ' A' ' 18' ' ' ILE . 0.5 OUTLIER -90.73 -26.58 5.16 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 O-C-N 124.675 1.234 . . . . 0.0 111.267 -179.341 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 3.4 p30 -133.17 22.29 4.1 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.501 1.126 . . . . 0.0 110.523 -179.755 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 20' ' ' THR . . . . . 0.426 ' O ' ' HB3' ' A' ' 17' ' ' ALA . 0.2 OUTLIER -145.14 160.13 41.91 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.44 1.087 . . . . 0.0 109.822 179.367 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 21' ' ' LYS . . . . . 0.438 ' HE2' ' HG2' ' A' ' 58' ' ' PRO . 0.0 OUTLIER -121.79 123.94 42.99 Favored 'General case' 0 C--N 1.326 -0.425 0 O-C-N 124.593 1.183 . . . . 0.0 109.955 -179.369 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 22' ' ' MET . . . . . . . . . . . . . 21.0 mtp -124.21 -96.76 0.45 Allowed 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.444 1.09 . . . . 0.0 110.037 179.089 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 23' ' ' VAL . . . . . 0.438 ' HB ' ' HB2' ' A' ' 15' ' ' CYS . 2.2 t -94.27 -39.25 10.23 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 N-CA-C 107.462 -1.31 . . . . 0.0 107.462 178.064 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -103.92 172.46 20.82 Favored Glycine 0 CA--C 1.532 1.096 0 CA-C-N 114.166 -1.379 . . . . 0.0 110.763 179.685 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 25' ' ' PRO . . . . . 0.663 ' CD ' ' CHA' ' A' ' 83' ' ' HEM . 72.2 Cg_endo -74.45 153.1 44.46 Favored 'Trans proline' 0 C--N 1.359 1.094 0 O-C-N 124.392 1.733 . . . . 0.0 111.508 -179.234 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -75.71 139.05 41.7 Favored 'General case' 0 C--N 1.325 -0.493 0 N-CA-C 106.919 -1.511 . . . . 0.0 106.919 176.865 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 27' ' ' TYR . . . . . 0.72 ' CE2' HG23 ' A' ' 78' ' ' VAL . 15.1 m-85 -67.93 -26.16 65.83 Favored 'General case' 0 C--N 1.324 -0.542 0 O-C-N 124.959 1.412 . . . . 0.0 110.851 -178.812 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 17.3 ttmt -74.49 -24.19 58.98 Favored 'General case' 0 C--N 1.326 -0.414 0 O-C-N 124.996 1.435 . . . . 0.0 109.959 -179.63 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 29' ' ' ASP . . . . . 0.517 ' HB3' ' CH2' ' A' ' 56' ' ' TRP . 29.0 m-20 -81.99 -43.8 17.54 Favored 'General case' 0 C--N 1.325 -0.471 0 N-CA-C 107.633 -1.247 . . . . 0.0 107.633 178.5 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 30' ' ' VAL . . . . . 0.684 HG11 HG13 ' A' ' 78' ' ' VAL . 71.0 t -63.45 -28.16 44.47 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.474 0 CA-C-N 114.126 -1.397 . . . . 0.0 107.359 177.511 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 31' ' ' ALA . . . . . 0.469 ' O ' ' HB3' ' A' ' 35' ' ' ALA . . . -73.35 -34.41 65.61 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 114.163 -1.38 . . . . 0.0 108.819 179.412 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -64.15 -9.86 19.36 Favored 'General case' 0 CA--C 1.544 0.72 0 O-C-N 124.741 1.276 . . . . 0.0 109.852 179.924 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 33' ' ' LYS . . . . . 0.5 ' O ' ' CB ' ' A' ' 34' ' ' PHE . 1.2 mtmm -147.6 87.14 1.62 Allowed 'General case' 0 N--CA 1.447 -0.584 0 O-C-N 125.316 1.635 . . . . 0.0 111.261 178.744 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 34' ' ' PHE . . . . . 0.5 ' CB ' ' O ' ' A' ' 33' ' ' LYS . 10.3 m-30 130.3 -11.51 0.0 OUTLIER 'General case' 0 CA--C 1.546 0.795 0 C-N-CA 125.823 1.649 . . . . 0.0 112.363 177.978 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 35' ' ' ALA . . . . . 0.469 ' HB3' ' O ' ' A' ' 31' ' ' ALA . . . -93.05 31.33 1.45 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.691 1.245 . . . . 0.0 110.084 -179.859 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . -163.35 31.25 0.27 Allowed Glycine 0 CA--C 1.538 1.489 0 N-CA-C 109.506 -1.438 . . . . 0.0 109.506 179.243 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 37' ' ' GLN . . . . . 0.825 HE21 ' HA ' ' A' ' 37' ' ' GLN . 0.0 OUTLIER 176.62 -55.82 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 113.776 -1.212 . . . . 0.0 110.617 -178.761 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 38' ' ' ALA . . . . . 0.527 ' HA ' HD11 ' A' ' 79' ' ' LEU . . . 95.27 -95.72 0.0 OUTLIER 'General case' 0 CA--C 1.544 0.734 0 N-CA-C 107.306 -1.368 . . . . 0.0 107.306 -177.469 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 71.68 -0.83 33.27 Favored Glycine 0 CA--C 1.529 0.932 0 O-C-N 124.872 1.357 . . . . 0.0 113.65 178.396 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -174.34 80.85 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.484 0.755 . . . . 0.0 111.13 -179.862 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 41' ' ' GLU . . . . . 0.402 ' HA ' ' HB3' ' A' ' 44' ' ' LEU . 0.2 OUTLIER -123.68 10.23 9.01 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.486 1.116 . . . . 0.0 111.052 179.573 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -102.41 -63.53 1.15 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.312 1.008 . . . . 0.0 108.376 179.311 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 40.2 mt-10 -77.71 0.67 22.63 Favored 'General case' 0 CA--C 1.539 0.557 0 O-C-N 124.858 1.349 . . . . 0.0 110.471 177.438 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 44' ' ' LEU . . . . . 0.402 ' HB3' ' HA ' ' A' ' 41' ' ' GLU . 1.4 tm? -87.11 -34.46 19.1 Favored 'General case' 0 C--N 1.323 -0.563 0 N-CA-C 106.423 -1.695 . . . . 0.0 106.423 176.952 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -73.92 -23.86 59.59 Favored 'General case' 0 CA--C 1.536 0.421 0 CA-C-N 114.085 -1.416 . . . . 0.0 108.258 177.246 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 46' ' ' GLN . . . . . . . . . . . . . 2.5 tm0? -78.37 -20.75 50.58 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-N 114.379 -1.282 . . . . 0.0 109.77 -179.645 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 47' ' ' ARG . . . . . 0.726 ' HG2' HH11 ' A' ' 47' ' ' ARG . 22.8 mmt-85 -73.6 -35.31 65.37 Favored 'General case' 0 CA--C 1.539 0.532 0 O-C-N 125.294 1.621 . . . . 0.0 108.011 177.427 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 48' ' ' ILE . . . . . 0.865 HD13 HMB3 ' A' ' 83' ' ' HEM . 2.2 mt -64.92 -24.98 36.67 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 125.102 1.501 . . . . 0.0 110.676 179.492 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 49' ' ' LYS . . . . . 0.606 ' HB2' HG23 ' A' ' 66' ' ' VAL . 3.5 ptpp? -118.37 2.33 11.87 Favored 'General case' 0 N--CA 1.449 -0.485 0 N-CA-C 113.904 1.076 . . . . 0.0 113.904 -177.722 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 16.9 t30 -129.54 -5.06 4.73 Favored 'General case' 0 N--CA 1.45 -0.431 0 O-C-N 124.267 0.979 . . . . 0.0 111.804 -179.545 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 76.67 149.36 3.01 Favored Glycine 0 CA--C 1.529 0.931 0 O-C-N 124.289 0.993 . . . . 0.0 111.694 179.636 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 52' ' ' SER . . . . . 0.457 ' HB2' HBD2 ' A' ' 83' ' ' HEM . 13.0 m -81.82 -152.51 0.1 Allowed 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.47 0.747 . . . . 0.0 109.561 179.808 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -160.29 39.61 0.18 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.452 1.095 . . . . 0.0 110.173 -179.858 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 73.06 76.33 0.66 Allowed Glycine 0 CA--C 1.531 1.056 0 CA-C-N 114.82 -1.082 . . . . 0.0 110.59 -179.782 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 48.7 t -93.14 -40.64 12.11 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.427 0 O-C-N 124.491 0.76 . . . . 0.0 110.177 -179.457 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 56' ' ' TRP . . . . . 0.517 ' CH2' ' HB3' ' A' ' 29' ' ' ASP . 8.1 m95 -99.17 -24.0 15.02 Favored 'General case' 0 C--N 1.326 -0.425 0 O-C-N 124.547 1.155 . . . . 0.0 109.225 -179.481 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 146.58 -67.13 0.41 Allowed Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.402 1.064 . . . . 0.0 112.821 179.358 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 58' ' ' PRO . . . . . 0.438 ' HG2' ' HE2' ' A' ' 21' ' ' LYS . 17.3 Cg_exo -51.36 169.65 0.2 Allowed 'Trans proline' 0 C--N 1.361 1.2 0 O-C-N 124.458 1.767 . . . . 0.0 112.326 -178.729 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 59' ' ' ILE . . . . . 0.475 HG13 ' CD ' ' A' ' 60' ' ' PRO . 0.3 OUTLIER -49.72 155.49 1.43 Allowed Pre-proline 0 C--N 1.327 -0.396 0 CA-C-N 114.874 -1.057 . . . . 0.0 109.99 -179.805 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 60' ' ' PRO . . . . . 0.475 ' CD ' HG13 ' A' ' 59' ' ' ILE . 19.8 Cg_endo -77.43 160.03 32.31 Favored 'Trans proline' 0 C--N 1.36 1.161 0 O-C-N 124.331 1.7 . . . . 0.0 111.884 -179.215 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 61' ' ' MET . . . . . 0.527 ' HB2' ' C4D' ' A' ' 83' ' ' HEM . 5.3 ttp -64.14 130.35 94.5 Favored Pre-proline 0 C--N 1.326 -0.456 0 O-C-N 124.38 1.05 . . . . 0.0 111.547 -179.958 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 62' ' ' PRO . . . . . 0.44 ' HD2' ' HG3' ' A' ' 61' ' ' MET . 0.9 OUTLIER -50.85 116.08 2.4 Favored 'Trans proline' 0 C--N 1.361 1.185 0 O-C-N 124.49 1.784 . . . . 0.0 110.205 179.268 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 63' ' ' PRO . . . . . . . . . . . . . 11.7 Cg_endo -64.9 107.87 0.99 Allowed 'Trans proline' 0 C--N 1.36 1.15 0 O-C-N 124.292 1.68 . . . . 0.0 110.951 -179.392 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 28.7 m-20 -96.29 -160.9 0.83 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.416 1.072 . . . . 0.0 109.032 179.757 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -144.35 98.6 3.23 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.432 1.082 . . . . 0.0 109.493 -179.936 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 66' ' ' VAL . . . . . 0.606 HG23 ' HB2' ' A' ' 49' ' ' LYS . 1.5 t -108.79 170.19 2.94 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.491 1.119 . . . . 0.0 109.237 179.985 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 67' ' ' SER . . . . . 0.422 ' H ' HG12 ' A' ' 66' ' ' VAL . 14.6 m -93.54 22.26 5.54 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.484 1.115 . . . . 0.0 110.545 -179.723 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 68' ' ' ASP . . . . . 0.436 ' HA ' ' CE ' ' A' ' 49' ' ' LYS . 31.0 t0 52.89 57.46 6.33 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.344 1.028 . . . . 0.0 109.813 179.876 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 4.4 m-20 -153.03 -68.51 0.15 Allowed 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 114.727 -1.124 . . . . 0.0 108.366 179.19 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 70' ' ' GLU . . . . . 0.508 ' O ' HD23 ' A' ' 74' ' ' LEU . 3.7 mt-10 -54.28 -23.17 13.99 Favored 'General case' 0 C--N 1.326 -0.431 0 O-C-N 124.824 1.327 . . . . 0.0 109.026 178.118 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -81.19 -47.57 13.25 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 114.567 -1.197 . . . . 0.0 108.71 179.011 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -47.67 -34.65 8.39 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.7 1.25 . . . . 0.0 112.308 -179.696 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 73' ' ' THR . . . . . 0.598 HG22 HD22 ' A' ' 74' ' ' LEU . 1.0 OUTLIER -77.64 -45.56 24.66 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.15 0.906 . . . . 0.0 110.826 -179.599 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 74' ' ' LEU . . . . . 0.665 ' HB3' HMB2 ' A' ' 83' ' ' HEM . 3.9 mm? -73.76 -6.71 48.6 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.572 1.17 . . . . 0.0 110.556 -179.982 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -94.49 -19.78 20.25 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.157 0.911 . . . . 0.0 110.047 -179.642 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -88.18 -13.43 41.18 Favored 'General case' 0 C--N 1.323 -0.573 0 O-C-N 124.605 1.191 . . . . 0.0 108.996 179.124 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 77' ' ' TRP . . . . . 0.608 ' CE3' ' CE2' ' A' ' 27' ' ' TYR . 27.7 t90 -90.15 -43.71 10.26 Favored 'General case' 0 C--N 1.324 -0.535 0 N-CA-C 106.458 -1.682 . . . . 0.0 106.458 178.774 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 78' ' ' VAL . . . . . 0.72 HG23 ' CE2' ' A' ' 27' ' ' TYR . 0.9 OUTLIER -61.91 -50.91 78.24 Favored 'Isoleucine or valine' 0 CA--C 1.544 0.718 0 N-CA-C 105.977 -1.861 . . . . 0.0 105.977 176.702 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 79' ' ' LEU . . . . . 0.567 ' N ' HG12 ' A' ' 78' ' ' VAL . 1.5 tp -57.92 -64.42 0.91 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 113.459 -1.7 . . . . 0.0 109.37 -179.658 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 31.2 t -112.56 123.49 50.41 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.385 1.053 . . . . 0.0 110.144 -179.914 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 81' ' ' GLN . . . . . . . . . . . . . 2.4 mt-30 -51.43 -76.53 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.15 0.906 . . . . 0.0 110.182 -179.95 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--N 1.326 -0.451 0 O-C-N 124.535 1.147 . . . . 0.0 109.278 179.889 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 83' ' ' HEM . . . . . 0.865 HMB3 HD13 ' A' ' 48' ' ' ILE . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 1' ' ' GLU . . . . . . . . . . . . . 8.3 mm-40 . . . . . 0 N--CA 1.452 -0.358 0 N-CA-C 110.364 -0.236 . . . . 0.0 110.364 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 2' ' ' ASP . . . . . 0.477 ' N ' ' CD ' ' A' ' 3' ' ' PRO . 0.3 OUTLIER 172.33 -51.54 0.0 OUTLIER Pre-proline 0 C--N 1.327 -0.413 0 O-C-N 124.525 1.141 . . . . 0.0 110.091 179.979 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 3' ' ' PRO . . . . . 0.477 ' CD ' ' N ' ' A' ' 2' ' ' ASP . 25.6 Cg_endo -80.76 -26.95 3.44 Favored 'Trans proline' 0 C--N 1.358 1.032 0 O-C-N 124.476 1.777 . . . . 0.0 110.516 -179.654 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 12.8 tm-20 -81.14 -19.96 42.38 Favored 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.686 1.241 . . . . 0.0 109.953 179.061 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 5.2 t -91.63 -27.12 4.88 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.52 0 O-C-N 124.476 1.11 . . . . 0.0 109.106 179.889 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 6' ' ' LEU . . . . . 0.416 ' HA ' ' HB2' ' A' ' 9' ' ' ASN . 3.7 tt -83.2 -33.1 26.22 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.619 1.199 . . . . 0.0 107.927 178.821 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 7' ' ' PHE . . . . . 0.66 ' CD2' ' HB3' ' A' ' 12' ' ' CYS . 7.9 t80 -62.71 -47.31 84.16 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 114.323 -1.308 . . . . 0.0 110.68 179.469 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 8.7 tttt -86.29 -15.72 39.77 Favored 'General case' 0 C--N 1.327 -0.402 0 O-C-N 124.837 1.336 . . . . 0.0 111.9 -178.93 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 9' ' ' ASN . . . . . 0.416 ' HB2' ' HA ' ' A' ' 6' ' ' LEU . 0.1 OUTLIER -52.83 -64.81 0.7 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.35 1.031 . . . . 0.0 108.864 179.931 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 1.3 ptpp? 175.23 80.43 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.674 1.234 . . . . 0.0 109.089 179.707 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 140.03 97.01 0.33 Allowed Glycine 0 CA--C 1.531 1.076 0 O-C-N 124.649 1.218 . . . . 0.0 111.754 179.846 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 12' ' ' CYS . . . . . 0.66 ' HB3' ' CD2' ' A' ' 7' ' ' PHE . 3.7 m 140.67 -64.27 0.0 OUTLIER 'General case' 0 CA--C 1.558 1.264 0 N-CA-C 104.806 -2.294 . . . . 0.0 104.806 -179.575 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 13' ' ' VAL . . . . . 0.597 ' HB ' ' CE1' ' A' ' 7' ' ' PHE . 1.8 p -69.21 -8.33 9.95 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.537 0 O-C-N 125.51 1.756 . . . . 0.0 110.974 178.967 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -48.08 -32.24 6.53 Favored 'General case' 0 CA--C 1.541 0.61 0 O-C-N 126.502 2.376 . . . . 0.0 106.522 177.984 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 15' ' ' CYS . . . . . 0.405 ' HB3' HG21 ' A' ' 23' ' ' VAL . 0.0 OUTLIER -152.1 24.7 0.64 Allowed 'General case' 0 C--O 1.238 0.474 0 CA-C-N 113.858 -1.519 . . . . 0.0 111.849 178.77 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 16' ' ' HIS . . . . . 0.446 ' HB2' ' O ' ' A' ' 12' ' ' CYS . 33.3 m-70 -120.39 -179.02 3.83 Favored 'General case' 0 N--CA 1.445 -0.71 0 CA-C-O 122.737 1.256 . . . . 0.0 113.968 179.934 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -158.13 171.58 19.96 Favored 'General case' 0 CA--C 1.54 0.577 0 CA-C-N 113.285 -1.78 . . . . 0.0 108.511 179.49 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 18' ' ' ILE . . . . . 0.629 HD13 ' CB ' ' A' ' 27' ' ' TYR . 0.2 OUTLIER -134.86 53.76 0.33 Allowed 'Isoleucine or valine' 0 CA--C 1.541 0.605 0 N-CA-C 107.511 -1.292 . . . . 0.0 107.511 178.314 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 1.9 p30 160.7 -19.29 0.0 OUTLIER 'General case' 0 N--CA 1.451 -0.397 0 CA-C-N 113.621 -1.627 . . . . 0.0 111.545 178.627 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -127.03 175.31 8.2 Favored 'General case' 0 C--N 1.324 -0.531 0 O-C-N 124.3 1.0 . . . . 0.0 111.232 -179.275 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 5.2 ptmm? -118.14 142.08 47.81 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 114.895 -1.048 . . . . 0.0 109.927 -179.786 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 22' ' ' MET . . . . . . . . . . . . . 20.9 mtt -139.77 -89.94 0.19 Allowed 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 114.911 -1.04 . . . . 0.0 110.272 179.46 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 23' ' ' VAL . . . . . 0.405 HG21 ' HB3' ' A' ' 15' ' ' CYS . 2.7 t -101.09 -37.31 5.34 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 N-CA-C 107.942 -1.133 . . . . 0.0 107.942 178.416 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -114.09 -168.39 16.36 Favored Glycine 0 CA--C 1.532 1.125 0 O-C-N 124.847 1.342 . . . . 0.0 111.354 -179.723 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 25' ' ' PRO . . . . . 0.594 ' CD ' ' CHA' ' A' ' 83' ' ' HEM . 87.4 Cg_endo -81.07 141.55 13.13 Favored 'Trans proline' 0 N--CA 1.448 -1.192 0 C-N-CA 122.167 1.911 . . . . 0.0 113.528 -178.885 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -63.51 131.57 48.53 Favored 'General case' 0 C--N 1.325 -0.489 0 N-CA-C 105.844 -1.91 . . . . 0.0 105.844 175.588 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 27' ' ' TYR . . . . . 0.737 ' CE2' HG23 ' A' ' 78' ' ' VAL . 5.9 m-85 -59.29 -19.73 48.52 Favored 'General case' 0 C--N 1.324 -0.537 0 O-C-N 124.813 1.321 . . . . 0.0 110.511 -178.892 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 1.2 tttt -80.41 -39.16 28.84 Favored 'General case' 0 CA--C 1.536 0.408 0 O-C-N 124.443 1.09 . . . . 0.0 109.954 179.941 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 29' ' ' ASP . . . . . 0.531 ' HB3' ' CH2' ' A' ' 56' ' ' TRP . 0.2 OUTLIER -65.4 -34.05 77.39 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.74 1.275 . . . . 0.0 108.162 179.582 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 30' ' ' VAL . . . . . 0.627 HG11 HG13 ' A' ' 78' ' ' VAL . 6.9 t -73.16 -31.63 35.45 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.544 0 N-CA-C 106.883 -1.525 . . . . 0.0 106.883 177.457 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 31' ' ' ALA . . . . . 0.546 ' HA ' ' HB2' ' A' ' 35' ' ' ALA . . . -89.37 15.33 9.32 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 114.022 -1.445 . . . . 0.0 109.644 179.091 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -129.55 2.99 5.03 Favored 'General case' 0 CA--C 1.537 0.446 0 O-C-N 124.064 0.853 . . . . 0.0 111.272 179.407 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -135.86 -24.46 1.31 Allowed 'General case' 0 N--CA 1.449 -0.484 0 O-C-N 124.781 1.301 . . . . 0.0 113.875 179.566 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 1.6 t80 -125.3 -1.32 7.61 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 123.805 0.691 . . . . 0.0 112.266 179.851 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 35' ' ' ALA . . . . . 0.546 ' HB2' ' HA ' ' A' ' 31' ' ' ALA . . . -76.3 -179.83 5.34 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.304 1.003 . . . . 0.0 108.968 179.051 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 49.17 23.76 4.26 Favored Glycine 0 CA--C 1.531 1.034 0 O-C-N 124.384 1.052 . . . . 0.0 111.14 179.972 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 13.0 mm100 -135.84 -63.57 0.65 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.418 0.717 . . . . 0.0 110.344 -179.553 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . 56.02 -163.94 0.15 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.484 1.115 . . . . 0.0 109.239 -179.851 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 112.27 -37.7 3.56 Favored Glycine 0 CA--C 1.529 0.939 0 O-C-N 124.508 1.13 . . . . 0.0 110.936 -179.838 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -80.24 -95.04 0.04 OUTLIER 'General case' 0 C--N 1.326 -0.415 0 O-C-N 124.504 0.767 . . . . 0.0 109.484 -179.993 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER 51.06 18.81 0.59 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.175 0.922 . . . . 0.0 111.444 -179.508 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -124.61 -56.66 1.59 Allowed 'General case' 0 C--N 1.324 -0.509 0 N-CA-C 106.966 -1.494 . . . . 0.0 106.966 177.787 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 43' ' ' GLU . . . . . 0.435 ' HA ' ' HB3' ' A' ' 46' ' ' GLN . 3.9 tt0 -86.5 -4.59 59.2 Favored 'General case' 0 CA--C 1.542 0.642 0 O-C-N 125.346 1.654 . . . . 0.0 110.021 176.573 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 1.3 tm? -90.05 -34.28 16.0 Favored 'General case' 0 C--N 1.325 -0.478 0 N-CA-C 107.475 -1.305 . . . . 0.0 107.475 177.416 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -76.7 -23.0 53.14 Favored 'General case' 0 CA--C 1.537 0.471 0 O-C-N 124.919 1.387 . . . . 0.0 107.662 176.95 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 46' ' ' GLN . . . . . 0.435 ' HB3' ' HA ' ' A' ' 43' ' ' GLU . 5.0 tt0 -76.62 -21.95 54.81 Favored 'General case' 0 CA--C 1.536 0.422 0 CA-C-N 114.166 -1.379 . . . . 0.0 109.484 179.727 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 10.4 mmt180 -70.31 -36.49 74.34 Favored 'General case' 0 CA--C 1.545 0.751 0 O-C-N 125.36 1.663 . . . . 0.0 107.524 176.988 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 48' ' ' ILE . . . . . 0.799 HD13 HMB3 ' A' ' 83' ' ' HEM . 18.3 mt -78.52 -9.65 12.44 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 125.27 1.606 . . . . 0.0 111.12 179.694 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -118.16 -5.62 10.91 Favored 'General case' 0 N--CA 1.451 -0.38 0 O-C-N 123.903 0.752 . . . . 0.0 112.884 -178.385 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 50' ' ' ASN . . . . . 0.468 ' HA ' ' HB3' ' A' ' 63' ' ' PRO . 0.8 OUTLIER -138.02 -4.62 1.72 Allowed 'General case' 0 N--CA 1.45 -0.462 0 O-C-N 124.767 1.292 . . . . 0.0 113.027 -178.897 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 83.79 162.91 34.39 Favored Glycine 0 CA--C 1.53 0.988 0 O-C-N 124.108 0.88 . . . . 0.0 111.484 179.637 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -137.27 138.02 39.63 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.442 0.73 . . . . 0.0 109.782 179.803 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 53' ' ' GLN . . . . . 0.419 ' HB3' ' HB3' ' A' ' 60' ' ' PRO . 2.5 pt20 -141.3 90.9 2.34 Favored 'General case' 0 C--N 1.324 -0.53 0 O-C-N 124.551 1.157 . . . . 0.0 110.362 -179.838 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 129.73 66.53 0.11 Allowed Glycine 0 CA--C 1.532 1.095 0 O-C-N 124.441 1.088 . . . . 0.0 110.925 -179.985 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 55' ' ' VAL . . . . . 0.465 HG12 ' CD1' ' A' ' 56' ' ' TRP . 13.3 t -138.38 -76.98 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.63 0.841 . . . . 0.0 109.45 -179.885 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 56' ' ' TRP . . . . . 0.531 ' CH2' ' HB3' ' A' ' 29' ' ' ASP . 3.0 m95 -97.57 -26.51 14.77 Favored 'General case' 0 C--N 1.327 -0.401 0 O-C-N 124.452 1.095 . . . . 0.0 108.366 179.934 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 168.98 -156.42 27.71 Favored Glycine 0 CA--C 1.529 0.968 0 O-C-N 124.418 1.073 . . . . 0.0 111.146 179.77 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 58' ' ' PRO . . . . . . . . . . . . . 19.4 Cg_endo -72.34 -160.27 0.09 OUTLIER 'Trans proline' 0 C--N 1.36 1.167 0 O-C-N 124.561 1.822 . . . . 0.0 110.869 -179.956 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 59' ' ' ILE . . . . . . . . . . . . . 0.3 OUTLIER 60.22 83.54 0.21 Allowed Pre-proline 0 C--N 1.326 -0.439 0 O-C-N 124.578 1.174 . . . . 0.0 109.168 -179.934 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 60' ' ' PRO . . . . . 0.419 ' HB3' ' HB3' ' A' ' 53' ' ' GLN . 18.1 Cg_endo -74.36 160.99 41.16 Favored 'Trans proline' 0 C--N 1.36 1.178 0 O-C-N 124.481 1.78 . . . . 0.0 111.068 -179.553 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 61' ' ' MET . . . . . 0.486 ' HB2' ' C1D' ' A' ' 83' ' ' HEM . 10.1 ttp -90.05 113.46 57.28 Favored Pre-proline 0 C--N 1.325 -0.458 0 O-C-N 124.533 1.146 . . . . 0.0 110.9 179.994 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 62' ' ' PRO . . . . . 0.793 ' HG2' HBC2 ' A' ' 83' ' ' HEM . 6.8 Cg_exo -49.18 109.7 0.29 Allowed 'Trans proline' 0 C--N 1.362 1.253 0 O-C-N 124.527 1.804 . . . . 0.0 110.753 -179.527 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 63' ' ' PRO . . . . . 0.468 ' HB3' ' HA ' ' A' ' 50' ' ' ASN . 17.9 Cg_exo -48.37 108.59 0.19 Allowed 'Trans proline' 0 C--N 1.361 1.216 0 O-C-N 124.461 1.769 . . . . 0.0 110.774 -179.815 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 64' ' ' ASN . . . . . 0.402 HD22 ' HA ' ' A' ' 64' ' ' ASN . 5.9 t-20 -79.31 -43.13 24.22 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.604 1.19 . . . . 0.0 109.787 -179.634 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . 65.4 97.56 0.05 OUTLIER 'General case' 0 C--N 1.324 -0.533 0 O-C-N 124.439 1.087 . . . . 0.0 109.618 -179.944 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 66' ' ' VAL . . . . . 0.457 HG21 ' HB2' ' A' ' 71' ' ' ALA . 0.5 OUTLIER -102.73 -146.85 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.331 1.019 . . . . 0.0 109.171 179.824 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 18.8 t -109.15 25.95 11.2 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.37 1.044 . . . . 0.0 110.108 -179.914 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER 45.77 32.06 1.16 Allowed 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.651 1.219 . . . . 0.0 110.149 179.971 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 34.3 t70 -141.33 -68.25 0.39 Allowed 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 114.579 -1.191 . . . . 0.0 108.309 179.073 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 70' ' ' GLU . . . . . 0.425 ' O ' HD12 ' A' ' 74' ' ' LEU . 0.2 OUTLIER -54.02 -23.65 14.22 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.878 1.361 . . . . 0.0 108.963 178.127 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 71' ' ' ALA . . . . . 0.457 ' HB2' HG21 ' A' ' 66' ' ' VAL . . . -80.27 -46.72 15.72 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 114.487 -1.233 . . . . 0.0 108.669 179.141 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 1.2 tt0 -50.57 -24.04 2.96 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.709 1.256 . . . . 0.0 110.576 179.816 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 73' ' ' THR . . . . . 0.418 HG22 ' N ' ' A' ' 74' ' ' LEU . 0.5 OUTLIER -72.9 -52.18 15.7 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.483 1.115 . . . . 0.0 110.178 179.774 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 74' ' ' LEU . . . . . 0.425 HD12 ' O ' ' A' ' 70' ' ' GLU . 1.1 mp -74.58 -9.84 58.97 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.566 1.166 . . . . 0.0 110.352 179.643 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -79.82 -25.93 40.67 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.271 0.982 . . . . 0.0 109.319 -179.972 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 2.1 pttp -87.23 -19.17 28.74 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.701 1.251 . . . . 0.0 109.648 179.736 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 77' ' ' TRP . . . . . 0.517 ' CE3' ' CE2' ' A' ' 27' ' ' TYR . 29.5 t90 -83.48 -42.11 17.27 Favored 'General case' 0 C--N 1.324 -0.513 0 N-CA-C 106.687 -1.597 . . . . 0.0 106.687 179.069 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 78' ' ' VAL . . . . . 0.761 HG21 HMA2 ' A' ' 83' ' ' HEM . 0.9 OUTLIER -61.28 -52.14 64.86 Favored 'Isoleucine or valine' 0 CA--C 1.543 0.675 0 N-CA-C 106.156 -1.794 . . . . 0.0 106.156 177.282 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 79' ' ' LEU . . . . . 0.554 ' N ' HG12 ' A' ' 78' ' ' VAL . 3.5 mt -51.03 -70.3 0.09 Allowed 'General case' 0 N--CA 1.451 -0.413 0 O-C-N 125.218 1.574 . . . . 0.0 108.977 179.753 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 2.1 m -85.36 -133.21 0.05 Allowed 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 114.213 -1.358 . . . . 0.0 109.289 -179.901 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 81' ' ' GLN . . . . . . . . . . . . . 13.4 tt0 -154.85 -43.89 0.09 Allowed 'General case' 0 C--N 1.324 -0.53 0 O-C-N 124.325 1.015 . . . . 0.0 110.606 179.987 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 4.6 tttt . . . . . 0 C--N 1.326 -0.446 0 O-C-N 124.339 1.024 . . . . 0.0 109.09 179.995 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 83' ' ' HEM . . . . . 0.799 HMB3 HD13 ' A' ' 48' ' ' ILE . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 1' ' ' GLU . . . . . . . . . . . . . 11.9 tt0 . . . . . 0 N--CA 1.453 -0.305 0 N-CA-C 110.287 -0.264 . . . . 0.0 110.287 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 2' ' ' ASP . . . . . 0.449 ' N ' ' HD3' ' A' ' 3' ' ' PRO . 0.3 OUTLIER 168.94 64.97 0.01 OUTLIER Pre-proline 0 C--N 1.324 -0.53 0 O-C-N 124.61 1.194 . . . . 0.0 109.06 179.867 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 3' ' ' PRO . . . . . 0.525 ' HB2' ' CG ' ' A' ' 77' ' ' TRP . 37.9 Cg_endo -84.32 -25.32 2.18 Favored 'Trans proline' 0 C--N 1.358 1.045 0 O-C-N 124.653 1.87 . . . . 0.0 109.859 179.988 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 20.3 mt-10 -81.08 -20.96 40.41 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.855 1.347 . . . . 0.0 109.461 178.524 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 5' ' ' VAL . . . . . 0.432 ' HB ' ' HB2' ' A' ' 2' ' ' ASP . 0.9 OUTLIER -85.69 -35.95 10.16 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.801 1.313 . . . . 0.0 108.619 179.227 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 6' ' ' LEU . . . . . 0.453 ' HG ' HD21 ' A' ' 74' ' ' LEU . 15.2 tp -73.32 -38.59 65.75 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.588 1.18 . . . . 0.0 108.727 179.394 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 7' ' ' PHE . . . . . 0.671 ' CD2' ' HB3' ' A' ' 12' ' ' CYS . 1.3 t80 -71.37 -14.78 62.29 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.682 1.239 . . . . 0.0 110.94 179.382 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 37.6 tttt -115.42 12.84 16.39 Favored 'General case' 0 C--N 1.326 -0.42 0 O-C-N 124.239 0.962 . . . . 0.0 111.748 -179.239 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 9' ' ' ASN . . . . . 0.41 HD22 ' HA ' ' A' ' 9' ' ' ASN . 2.2 m120 -95.22 40.64 1.1 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.149 0.906 . . . . 0.0 108.629 179.375 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER 62.66 69.1 0.61 Allowed 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 114.569 -1.196 . . . . 0.0 108.718 -179.72 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 158.88 93.67 0.1 OUTLIER Glycine 0 CA--C 1.532 1.124 0 O-C-N 124.577 1.173 . . . . 0.0 111.374 -179.708 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 12' ' ' CYS . . . . . 0.671 ' HB3' ' CD2' ' A' ' 7' ' ' PHE . 12.1 m 133.89 -60.21 0.0 OUTLIER 'General case' 0 CA--C 1.556 1.174 0 N-CA-C 104.664 -2.347 . . . . 0.0 104.664 -178.993 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 13' ' ' VAL . . . . . 0.662 HG23 ' CZ ' ' A' ' 7' ' ' PHE . 0.5 OUTLIER -71.02 -5.8 6.28 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 125.524 1.765 . . . . 0.0 110.218 177.899 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -46.93 -30.21 2.44 Favored 'General case' 0 CA--C 1.541 0.621 0 O-C-N 126.223 2.202 . . . . 0.0 106.649 177.426 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 15' ' ' CYS . . . . . 0.426 ' N ' ' C ' ' A' ' 13' ' ' VAL . 0.8 OUTLIER -167.96 37.66 0.03 OUTLIER 'General case' 0 C--O 1.238 0.49 0 O-C-N 125.594 1.809 . . . . 0.0 113.849 178.321 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 16' ' ' HIS . . . . . 0.503 ' CE1' ' HD2' ' A' ' 25' ' ' PRO . 4.6 m-70 -108.93 -99.93 0.38 Allowed 'General case' 0 N--CA 1.452 -0.361 0 N-CA-C 113.972 1.101 . . . . 0.0 113.972 179.83 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 17' ' ' ALA . . . . . 0.418 ' HB3' ' O ' ' A' ' 16' ' ' HIS . . . 102.37 152.11 0.01 OUTLIER 'General case' 0 CA--C 1.545 0.78 0 N-CA-C 107.178 -1.415 . . . . 0.0 107.178 -176.916 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 18' ' ' ILE . . . . . 0.617 HD12 ' O ' ' A' ' 18' ' ' ILE . 0.5 OUTLIER -99.81 -24.93 4.01 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.44 0 O-C-N 125.021 1.451 . . . . 0.0 112.299 -178.075 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 28.0 t0 -136.56 27.98 3.03 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.414 1.071 . . . . 0.0 109.191 179.754 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -144.96 159.67 42.56 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.609 1.193 . . . . 0.0 110.131 179.71 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 21' ' ' LYS . . . . . 0.453 ' CB ' ' NZ ' ' A' ' 21' ' ' LYS . 1.0 OUTLIER -112.73 165.51 12.22 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.546 1.154 . . . . 0.0 109.163 179.999 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 22' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -175.08 -88.56 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.428 0 O-C-N 124.473 1.108 . . . . 0.0 110.691 179.839 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 1.5 t -112.97 -36.81 2.57 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.378 1.049 . . . . 0.0 108.83 179.746 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -111.98 173.52 15.63 Favored Glycine 0 CA--C 1.532 1.135 0 CA-C-N 114.569 -1.196 . . . . 0.0 111.432 -179.183 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 25' ' ' PRO . . . . . 0.724 ' CD ' ' CHA' ' A' ' 83' ' ' HEM . 58.9 Cg_endo -72.06 146.74 47.37 Favored 'Trans proline' 0 C--N 1.359 1.117 0 C-N-CA 121.976 1.784 . . . . 0.0 111.684 -179.342 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -78.76 142.16 37.23 Favored 'General case' 0 C--N 1.325 -0.49 0 N-CA-C 106.688 -1.597 . . . . 0.0 106.688 177.11 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 27' ' ' TYR . . . . . 0.648 ' CE2' ' CE3' ' A' ' 77' ' ' TRP . 11.8 m-85 -68.33 -18.38 64.48 Favored 'General case' 0 C--N 1.323 -0.559 0 O-C-N 124.725 1.266 . . . . 0.0 111.817 -178.443 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 34.6 tttt -86.68 -22.06 26.32 Favored 'General case' 0 C--N 1.326 -0.424 0 O-C-N 124.536 1.147 . . . . 0.0 109.893 -179.999 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 29' ' ' ASP . . . . . 0.42 ' HB3' ' CH2' ' A' ' 56' ' ' TRP . 0.3 OUTLIER -82.29 -40.91 20.85 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.523 1.139 . . . . 0.0 107.97 178.356 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 4.1 t -64.36 -33.18 61.07 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.909 1.381 . . . . 0.0 107.512 178.153 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -71.33 -32.03 68.09 Favored 'General case' 0 CA--C 1.535 0.377 0 O-C-N 124.893 1.371 . . . . 0.0 108.234 178.697 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -91.4 16.28 10.51 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 114.644 -1.162 . . . . 0.0 111.268 -179.566 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -129.5 -82.09 0.56 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.303 1.002 . . . . 0.0 108.738 179.071 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 0.7 OUTLIER -66.72 -29.11 69.02 Favored 'General case' 0 C--N 1.326 -0.428 0 O-C-N 124.508 1.13 . . . . 0.0 110.642 179.384 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . 53.28 -155.48 0.2 Allowed 'General case' 0 C--N 1.327 -0.402 0 O-C-N 124.824 1.328 . . . . 0.0 108.708 179.74 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . -89.43 44.31 3.06 Favored Glycine 0 CA--C 1.533 1.166 0 O-C-N 124.656 1.223 . . . . 0.0 110.547 179.443 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 37' ' ' GLN . . . . . 0.481 HE21 ' HA ' ' A' ' 37' ' ' GLN . 0.5 OUTLIER -54.89 -31.39 59.85 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.483 0.755 . . . . 0.0 110.086 -179.882 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . 50.56 49.98 19.74 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.485 1.116 . . . . 0.0 110.198 179.423 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . -149.66 22.71 1.18 Allowed Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.482 1.114 . . . . 0.0 110.763 179.585 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -162.68 76.03 0.43 Allowed 'General case' 0 C--N 1.327 -0.407 0 O-C-N 124.577 0.81 . . . . 0.0 110.063 -179.748 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 41' ' ' GLU . . . . . 0.478 ' HA ' ' HB3' ' A' ' 44' ' ' LEU . 38.9 mt-10 -129.4 -28.75 2.28 Favored 'General case' 0 N--CA 1.452 -0.368 0 O-C-N 124.485 1.116 . . . . 0.0 113.319 -179.552 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -74.47 -64.86 0.94 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.223 0.952 . . . . 0.0 109.828 -179.157 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 5.7 pt-20 -77.11 -0.17 23.83 Favored 'General case' 0 CA--C 1.537 0.471 0 O-C-N 124.648 1.218 . . . . 0.0 110.617 178.244 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 44' ' ' LEU . . . . . 0.496 ' CD1' HD23 ' A' ' 79' ' ' LEU . 0.2 OUTLIER -84.98 -34.0 22.49 Favored 'General case' 0 C--N 1.323 -0.563 0 N-CA-C 106.346 -1.724 . . . . 0.0 106.346 176.657 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -73.6 -24.99 60.12 Favored 'General case' 0 N--CA 1.452 -0.364 0 CA-C-N 113.92 -1.491 . . . . 0.0 108.883 178.17 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 46' ' ' GLN . . . . . . . . . . . . . 5.7 tt0 -76.49 -21.72 55.45 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 114.612 -1.177 . . . . 0.0 109.968 -179.468 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 47' ' ' ARG . . . . . 0.426 ' O ' ' HE3' ' A' ' 61' ' ' MET . 0.0 OUTLIER -77.09 -32.99 57.04 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 125.32 1.638 . . . . 0.0 108.56 177.79 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 48' ' ' ILE . . . . . 0.899 HD13 HMB2 ' A' ' 83' ' ' HEM . 49.5 mt -63.15 -24.35 35.72 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 125.12 1.513 . . . . 0.0 109.313 178.876 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 49' ' ' LYS . . . . . 0.406 ' HB2' ' HA ' ' A' ' 65' ' ' ALA . 5.7 pttt -120.03 4.97 10.87 Favored 'General case' 0 N--CA 1.449 -0.484 0 O-C-N 124.301 1.001 . . . . 0.0 113.163 -177.925 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 3.5 t-20 -139.45 8.02 2.39 Favored 'General case' 0 C--N 1.326 -0.432 0 O-C-N 124.144 0.903 . . . . 0.0 111.628 -179.968 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 76.03 146.97 1.89 Allowed Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.149 0.906 . . . . 0.0 112.077 179.358 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 52' ' ' SER . . . . . 0.414 ' HA ' ' HG3' ' A' ' 47' ' ' ARG . 0.9 OUTLIER -78.84 -19.68 51.45 Favored 'General case' 0 C--N 1.326 -0.415 0 O-C-N 124.399 0.705 . . . . 0.0 110.737 179.929 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 53' ' ' GLN . . . . . 0.426 ' HA ' ' HB3' ' A' ' 60' ' ' PRO . 0.2 OUTLIER 74.65 18.9 2.69 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.458 1.099 . . . . 0.0 111.042 -179.968 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 92.15 91.41 1.44 Allowed Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.415 1.072 . . . . 0.0 111.529 179.603 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 55' ' ' VAL . . . . . 0.635 HG12 ' CD1' ' A' ' 56' ' ' TRP . 37.1 t -108.54 -41.48 5.17 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.499 0.764 . . . . 0.0 109.116 179.753 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 56' ' ' TRP . . . . . 0.635 ' CD1' HG12 ' A' ' 55' ' ' VAL . 7.0 m95 -109.44 27.72 9.26 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.529 1.143 . . . . 0.0 108.113 179.656 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 129.74 -155.06 20.73 Favored Glycine 0 CA--C 1.529 0.925 0 O-C-N 124.595 1.185 . . . . 0.0 111.167 179.866 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 58' ' ' PRO . . . . . . . . . . . . . 16.0 Cg_endo -77.9 -159.51 0.1 Allowed 'Trans proline' 0 C--N 1.359 1.131 0 O-C-N 124.382 1.727 . . . . 0.0 111.319 -179.322 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 59' ' ' ILE . . . . . 0.425 HG23 ' O ' ' A' ' 59' ' ' ILE . 0.0 OUTLIER 44.6 84.86 0.18 Allowed Pre-proline 0 C--N 1.325 -0.482 0 O-C-N 124.614 1.196 . . . . 0.0 111.327 179.899 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 60' ' ' PRO . . . . . 0.426 ' HB3' ' HA ' ' A' ' 53' ' ' GLN . 13.4 Cg_endo -66.47 152.97 79.69 Favored 'Trans proline' 0 C--N 1.367 1.545 0 O-C-N 123.808 1.425 . . . . 0.0 110.853 179.48 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 61' ' ' MET . . . . . 0.523 ' HB2' ' C4D' ' A' ' 83' ' ' HEM . 6.2 ttp -62.86 113.94 10.74 Favored Pre-proline 0 C--N 1.325 -0.462 0 O-C-N 124.591 1.182 . . . . 0.0 111.433 -179.862 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 62' ' ' PRO . . . . . 0.465 ' HG2' ' CBC' ' A' ' 83' ' ' HEM . 14.0 Cg_exo -54.1 110.91 0.57 Allowed 'Trans proline' 0 C--N 1.36 1.163 0 O-C-N 124.536 1.808 . . . . 0.0 110.019 178.935 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 63' ' ' PRO . . . . . . . . . . . . . 24.3 Cg_exo -44.07 102.28 0.04 OUTLIER 'Trans proline' 0 C--N 1.358 1.051 0 O-C-N 124.679 1.884 . . . . 0.0 111.051 -179.382 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 5.7 t-20 -69.23 -35.42 76.13 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.34 1.025 . . . . 0.0 110.615 -179.067 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 65' ' ' ALA . . . . . 0.406 ' HA ' ' HB2' ' A' ' 49' ' ' LYS . . . 64.91 80.62 0.23 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.438 1.087 . . . . 0.0 109.105 -179.584 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 66' ' ' VAL . . . . . 0.425 HG12 ' HB3' ' A' ' 70' ' ' GLU . 0.3 OUTLIER -103.11 -15.74 7.84 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.385 1.053 . . . . 0.0 110.583 -179.894 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER 84.67 165.85 0.1 Allowed 'General case' 0 C--N 1.323 -0.544 0 O-C-N 124.462 1.101 . . . . 0.0 109.73 -179.508 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 68' ' ' ASP . . . . . 0.422 ' O ' ' CB ' ' A' ' 69' ' ' ASP . 0.8 OUTLIER -70.29 141.4 52.37 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.524 1.14 . . . . 0.0 110.766 -179.134 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 69' ' ' ASP . . . . . 0.422 ' CB ' ' O ' ' A' ' 68' ' ' ASP . 4.0 t0 88.64 -36.95 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.443 1.089 . . . . 0.0 110.394 179.764 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 70' ' ' GLU . . . . . 0.425 ' HB3' HG12 ' A' ' 66' ' ' VAL . 4.2 mt-10 -79.05 -32.11 44.74 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.629 1.206 . . . . 0.0 108.3 178.694 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -87.64 -31.71 19.64 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 113.952 -1.476 . . . . 0.0 108.365 178.412 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 6.7 tp60 -57.65 -34.89 69.84 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.799 1.312 . . . . 0.0 110.324 179.731 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 1.1 m -70.15 -47.96 59.41 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.563 1.165 . . . . 0.0 110.46 -179.959 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 74' ' ' LEU . . . . . 0.453 HD21 ' HG ' ' A' ' 6' ' ' LEU . 2.9 mt -78.99 2.9 18.8 Favored 'General case' 0 N--CA 1.449 -0.487 0 O-C-N 124.45 1.093 . . . . 0.0 111.461 -179.481 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -100.12 -28.16 13.18 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.281 0.988 . . . . 0.0 110.573 -179.725 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 8.1 pttp -85.26 -16.32 40.56 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.596 1.185 . . . . 0.0 110.017 -179.912 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 77' ' ' TRP . . . . . 0.648 ' CE3' ' CE2' ' A' ' 27' ' ' TYR . 33.5 t90 -86.6 -38.82 16.74 Favored 'General case' 0 C--N 1.323 -0.544 0 N-CA-C 106.696 -1.594 . . . . 0.0 106.696 178.876 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 78' ' ' VAL . . . . . 0.724 HG11 ' CMA' ' A' ' 83' ' ' HEM . 1.0 OUTLIER -63.79 -54.31 33.62 Favored 'Isoleucine or valine' 0 CA--C 1.542 0.654 0 N-CA-C 106.675 -1.602 . . . . 0.0 106.675 177.134 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 79' ' ' LEU . . . . . 0.611 ' N ' HG12 ' A' ' 78' ' ' VAL . 0.3 OUTLIER -62.45 -69.68 0.24 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 113.964 -1.471 . . . . 0.0 109.241 -179.271 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -85.57 113.31 21.71 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.442 1.089 . . . . 0.0 109.756 179.69 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 81' ' ' GLN . . . . . . . . . . . . . 14.5 pt20 -51.4 -41.44 60.73 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.43 1.081 . . . . 0.0 110.707 -179.778 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.325 -0.467 0 O-C-N 124.443 1.089 . . . . 0.0 109.368 -179.993 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 83' ' ' HEM . . . . . 0.899 HMB2 HD13 ' A' ' 48' ' ' ILE . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 1' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 N--CA 1.453 -0.312 0 N-CA-C 110.33 -0.248 . . . . 0.0 110.33 . . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 2' ' ' ASP . . . . . 0.512 ' N ' ' HD3' ' A' ' 3' ' ' PRO . 2.3 m-20 70.13 56.1 0.49 Allowed Pre-proline 0 C--N 1.324 -0.541 0 O-C-N 124.507 1.129 . . . . 0.0 110.596 -179.725 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 3' ' ' PRO . . . . . 0.512 ' HD3' ' N ' ' A' ' 2' ' ' ASP . 67.7 Cg_endo -82.62 -23.93 3.78 Favored 'Trans proline' 0 C--N 1.358 1.057 0 O-C-N 124.55 1.816 . . . . 0.0 109.536 178.441 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -80.79 -23.48 39.26 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.823 1.327 . . . . 0.0 109.211 178.632 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 5' ' ' VAL . . . . . 0.434 ' HB ' ' HB3' ' A' ' 2' ' ' ASP . 41.0 t -88.34 -25.85 5.79 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.424 0 O-C-N 124.754 1.284 . . . . 0.0 108.977 179.246 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 6' ' ' LEU . . . . . 0.458 HD13 ' O ' ' A' ' 6' ' ' LEU . 0.9 OUTLIER -81.61 -35.68 29.8 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 114.821 -1.081 . . . . 0.0 108.728 179.464 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 7' ' ' PHE . . . . . 0.8 ' CZ ' HG23 ' A' ' 13' ' ' VAL . 0.4 OUTLIER -68.84 -23.94 64.31 Favored 'General case' 0 C--N 1.327 -0.406 0 O-C-N 124.827 1.329 . . . . 0.0 111.083 179.864 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 2.1 mmmt -92.38 -10.72 37.11 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.556 1.16 . . . . 0.0 111.377 -178.901 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 4.1 t30 -47.65 -75.18 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.312 1.007 . . . . 0.0 110.166 -179.694 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 6.6 mttp 176.11 79.91 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.511 1.132 . . . . 0.0 109.621 179.805 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 11' ' ' GLY . . . . . 0.565 ' O ' HMC1 ' A' ' 83' ' ' HEM . . . -179.99 -69.08 0.07 OUTLIER Glycine 0 CA--C 1.529 0.924 0 O-C-N 124.614 1.196 . . . . 0.0 111.735 179.926 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 12' ' ' CYS . . . . . 0.606 ' CB ' ' CD2' ' A' ' 7' ' ' PHE . 60.1 m -58.18 -59.73 4.85 Favored 'General case' 0 N--CA 1.449 -0.494 0 O-C-N 124.268 0.628 . . . . 0.0 110.571 -179.126 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 13' ' ' VAL . . . . . 0.8 HG23 ' CZ ' ' A' ' 7' ' ' PHE . 0.3 OUTLIER -62.19 -4.69 1.08 Allowed 'Isoleucine or valine' 0 CA--C 1.536 0.44 0 N-CA-C 114.084 1.142 . . . . 0.0 114.084 -176.869 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -52.03 -31.34 29.4 Favored 'General case' 0 CA--C 1.538 0.516 0 O-C-N 125.906 2.004 . . . . 0.0 108.164 179.619 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 3.6 p -157.29 16.86 0.27 Allowed 'General case' 0 N--CA 1.45 -0.451 0 O-C-N 125.208 1.567 . . . . 0.0 112.631 -179.515 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 16' ' ' HIS . . . . . 0.592 ' CE1' ' HD2' ' A' ' 25' ' ' PRO . 3.3 m-70 -94.27 -71.76 0.65 Allowed 'General case' 0 C--N 1.327 -0.404 0 N-CA-C 113.993 1.109 . . . . 0.0 113.993 -178.671 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 17' ' ' ALA . . . . . 0.547 ' HB1' HG23 ' A' ' 20' ' ' THR . . . 68.8 160.04 0.18 Allowed 'General case' 0 C--N 1.325 -0.476 0 N-CA-C 107.689 -1.226 . . . . 0.0 107.689 -176.686 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 18' ' ' ILE . . . . . 0.643 HD12 ' O ' ' A' ' 18' ' ' ILE . 0.5 OUTLIER -101.18 -22.41 4.74 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.399 0 O-C-N 124.135 0.897 . . . . 0.0 112.534 -178.398 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 18.4 t0 -133.96 23.34 3.88 Favored 'General case' 0 N--CA 1.45 -0.434 0 O-C-N 124.284 0.99 . . . . 0.0 112.402 -179.074 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 20' ' ' THR . . . . . 0.547 HG23 ' HB1' ' A' ' 17' ' ' ALA . 0.1 OUTLIER -146.07 157.96 43.86 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.288 0.993 . . . . 0.0 109.968 178.767 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 2.1 mtpp -116.3 163.04 16.6 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.546 1.154 . . . . 0.0 110.953 -178.951 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 22' ' ' MET . . . . . . . . . . . . . 1.6 mmm -170.93 -72.18 0.02 OUTLIER 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 114.737 -1.119 . . . . 0.0 110.442 179.934 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 1.8 t -122.83 -42.12 1.59 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.591 1.182 . . . . 0.0 108.99 179.184 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -105.82 166.48 14.17 Favored Glycine 0 CA--C 1.532 1.153 0 O-C-N 124.371 1.044 . . . . 0.0 111.778 -179.423 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 25' ' ' PRO . . . . . 0.701 ' CD ' ' CHA' ' A' ' 83' ' ' HEM . 73.5 Cg_endo -72.76 122.08 7.9 Favored 'Trans proline' 0 C--N 1.36 1.16 0 C-N-CA 122.291 1.994 . . . . 0.0 113.569 -179.12 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 26' ' ' ALA . . . . . 0.477 ' HB3' ' OD2' ' A' ' 29' ' ' ASP . . . -56.2 137.27 52.19 Favored 'General case' 0 C--N 1.325 -0.462 0 N-CA-C 106.959 -1.497 . . . . 0.0 106.959 176.977 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 27' ' ' TYR . . . . . 0.618 ' CZ ' ' CZ3' ' A' ' 77' ' ' TRP . 10.0 m-85 -64.13 -16.31 61.58 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.635 1.209 . . . . 0.0 113.233 -178.184 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 43.1 tttt -84.48 -27.81 27.2 Favored 'General case' 0 C--N 1.326 -0.416 0 O-C-N 124.381 1.051 . . . . 0.0 111.734 -179.04 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 29' ' ' ASP . . . . . 0.477 ' OD2' ' HB3' ' A' ' 26' ' ' ALA . 2.4 p30 -79.91 -33.6 39.68 Favored 'General case' 0 C--N 1.326 -0.417 0 O-C-N 124.699 1.249 . . . . 0.0 108.253 179.022 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 2.1 t -67.53 -35.46 73.26 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 N-CA-C 107.533 -1.284 . . . . 0.0 107.533 178.196 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 31' ' ' ALA . . . . . 0.549 ' HB1' ' OE1' ' A' ' 81' ' ' GLN . . . -74.94 -23.19 58.28 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 114.256 -1.338 . . . . 0.0 109.137 179.396 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -102.13 17.72 22.61 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.376 1.048 . . . . 0.0 110.771 -179.783 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 1.9 mmtt -129.28 -76.58 0.55 Allowed 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.43 1.082 . . . . 0.0 108.537 179.306 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -51.26 -44.43 61.76 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.835 1.335 . . . . 0.0 109.359 178.476 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . 51.61 64.25 1.92 Allowed 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 114.53 -1.213 . . . . 0.0 110.605 178.736 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 48.01 31.29 8.0 Favored Glycine 0 CA--C 1.529 0.923 0 O-C-N 124.544 1.152 . . . . 0.0 111.353 179.512 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 37' ' ' GLN . . . . . 0.413 ' HB2' HE21 ' A' ' 37' ' ' GLN . 0.7 OUTLIER -54.23 -58.13 8.53 Favored 'General case' 0 C--N 1.327 -0.41 0 O-C-N 124.483 0.754 . . . . 0.0 109.785 -179.953 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . 65.17 162.14 0.13 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.463 1.102 . . . . 0.0 111.051 178.977 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 117.1 -2.77 19.11 Favored Glycine 0 CA--C 1.529 0.956 0 CA-C-N 114.71 -1.132 . . . . 0.0 112.362 179.578 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -144.51 9.9 1.41 Allowed 'General case' 0 N--CA 1.451 -0.407 0 O-C-N 124.378 0.693 . . . . 0.0 112.21 -179.38 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 41' ' ' GLU . . . . . 0.636 ' HG3' HD12 ' A' ' 79' ' ' LEU . 0.0 OUTLIER -50.97 -16.7 0.47 Allowed 'General case' 0 C--N 1.323 -0.568 0 N-CA-C 113.55 0.944 . . . . 0.0 113.55 -179.308 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -75.49 -57.62 3.78 Favored 'General case' 0 C--N 1.323 -0.562 0 O-C-N 124.377 1.048 . . . . 0.0 109.371 -179.887 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 9.9 pm0 -81.04 4.1 20.9 Favored 'General case' 0 CA--C 1.536 0.404 0 O-C-N 124.437 1.085 . . . . 0.0 110.891 178.788 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 44' ' ' LEU . . . . . 0.5 ' HB3' ' HA ' ' A' ' 41' ' ' GLU . 1.1 tm? -92.98 -33.25 14.22 Favored 'General case' 0 C--N 1.324 -0.532 0 N-CA-C 106.458 -1.682 . . . . 0.0 106.458 177.187 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 45' ' ' ALA . . . . . 0.408 ' HA ' HG13 ' A' ' 48' ' ' ILE . . . -78.09 -24.78 47.47 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 113.869 -1.514 . . . . 0.0 108.114 177.808 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 46' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -77.08 -24.31 51.85 Favored 'General case' 0 CA--C 1.537 0.458 0 CA-C-N 114.231 -1.35 . . . . 0.0 109.248 179.881 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 47' ' ' ARG . . . . . 0.446 ' O ' ' HE3' ' A' ' 61' ' ' MET . 2.3 mmt180 -71.42 -34.46 70.34 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 125.32 1.638 . . . . 0.0 108.695 177.828 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 48' ' ' ILE . . . . . 0.715 HD13 HMB3 ' A' ' 83' ' ' HEM . 1.6 mt -64.2 -26.42 40.38 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.913 1.383 . . . . 0.0 110.418 179.521 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 49' ' ' LYS . . . . . 0.637 ' CG ' HG23 ' A' ' 66' ' ' VAL . 1.0 OUTLIER -118.36 7.8 12.05 Favored 'General case' 0 N--CA 1.448 -0.533 0 O-C-N 124.189 0.93 . . . . 0.0 113.364 -177.881 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 3.2 t-20 -135.36 -3.87 2.38 Favored 'General case' 0 N--CA 1.45 -0.448 0 O-C-N 124.358 1.036 . . . . 0.0 112.515 -179.376 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 77.1 151.63 4.43 Favored Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.095 0.872 . . . . 0.0 111.303 179.797 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -89.77 -148.6 0.19 Allowed 'General case' 0 C--N 1.324 -0.53 0 O-C-N 124.448 0.734 . . . . 0.0 109.628 179.926 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 44.9 mt-30 -135.93 -45.45 0.65 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.369 1.043 . . . . 0.0 110.365 -179.954 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 150.06 75.68 0.02 OUTLIER Glycine 0 CA--C 1.531 1.032 0 O-C-N 124.423 1.077 . . . . 0.0 110.75 -179.799 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 63.6 t -87.16 -49.33 14.85 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.513 0.772 . . . . 0.0 110.063 -179.59 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 56' ' ' TRP . . . . . . . . . . . . . 6.9 m95 -87.91 -25.78 23.05 Favored 'General case' 0 C--N 1.326 -0.42 0 O-C-N 124.491 1.12 . . . . 0.0 108.969 -179.525 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 57' ' ' GLY . . . . . 0.452 ' N ' ' HD2' ' A' ' 58' ' ' PRO . . . 135.25 -53.6 0.77 Allowed Glycine 0 CA--C 1.529 0.944 0 O-C-N 124.447 1.092 . . . . 0.0 112.718 179.695 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 58' ' ' PRO . . . . . 0.452 ' HD2' ' N ' ' A' ' 57' ' ' GLY . 33.9 Cg_exo -45.15 153.73 0.49 Allowed 'Trans proline' 0 C--N 1.359 1.124 0 O-C-N 124.48 1.779 . . . . 0.0 112.212 -178.722 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 59' ' ' ILE . . . . . 0.443 HG13 ' HD2' ' A' ' 60' ' ' PRO . 0.9 OUTLIER -50.93 138.54 24.25 Favored Pre-proline 0 C--N 1.327 -0.407 0 O-C-N 124.469 1.106 . . . . 0.0 109.515 -179.885 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 60' ' ' PRO . . . . . 0.443 ' HD2' HG13 ' A' ' 59' ' ' ILE . 6.8 Cg_exo -42.64 148.97 0.39 Allowed 'Trans proline' 0 C--N 1.359 1.114 0 O-C-N 124.595 1.84 . . . . 0.0 112.459 -179.396 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 61' ' ' MET . . . . . 0.526 ' HB2' ' C4D' ' A' ' 83' ' ' HEM . 5.9 ttp -64.27 139.07 97.61 Favored Pre-proline 0 C--N 1.327 -0.393 0 CA-C-N 114.905 -1.043 . . . . 0.0 111.554 -179.91 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 62' ' ' PRO . . . . . 0.475 ' HG3' ' CBC' ' A' ' 83' ' ' HEM . 2.1 Cg_endo -49.79 131.27 28.87 Favored 'Trans proline' 0 C--N 1.361 1.218 0 O-C-N 124.669 1.879 . . . . 0.0 110.53 179.336 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 63' ' ' PRO . . . . . 0.427 ' HD3' ' HA ' ' A' ' 62' ' ' PRO . 28.5 Cg_endo -76.8 164.22 30.34 Favored 'Trans proline' 0 C--N 1.359 1.1 0 O-C-N 124.334 1.702 . . . . 0.0 111.813 -179.64 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 64' ' ' ASN . . . . . 0.509 HD22 ' H ' ' A' ' 65' ' ' ALA . 4.3 p-10 44.07 -149.17 0.06 Allowed 'General case' 0 C--N 1.326 -0.421 0 O-C-N 124.865 1.353 . . . . 0.0 110.57 179.673 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 65' ' ' ALA . . . . . 0.509 ' H ' HD22 ' A' ' 64' ' ' ASN . . . 79.95 18.83 0.66 Allowed 'General case' 0 C--N 1.326 -0.436 0 O-C-N 123.966 0.791 . . . . 0.0 110.4 -179.105 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 66' ' ' VAL . . . . . 0.637 HG23 ' CG ' ' A' ' 49' ' ' LYS . 0.0 OUTLIER -163.48 -170.12 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.374 1.047 . . . . 0.0 109.587 178.81 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 67' ' ' SER . . . . . 0.424 ' HA ' ' HE2' ' A' ' 49' ' ' LYS . 12.5 p -145.9 165.12 29.86 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 114.605 -1.18 . . . . 0.0 109.499 179.827 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 40.3 t0 -61.21 145.61 50.57 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.547 1.154 . . . . 0.0 108.898 179.775 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER 85.58 -34.82 0.05 OUTLIER 'General case' 0 C--N 1.323 -0.575 0 O-C-N 124.646 1.216 . . . . 0.0 110.142 -179.071 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 70' ' ' GLU . . . . . 0.567 ' O ' HD23 ' A' ' 74' ' ' LEU . 26.8 mm-40 -79.54 -31.38 42.06 Favored 'General case' 0 C--N 1.323 -0.558 0 O-C-N 124.609 1.193 . . . . 0.0 108.519 178.685 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 71' ' ' ALA . . . . . 0.557 ' HB1' ' HB ' ' A' ' 48' ' ' ILE . . . -87.77 -33.36 18.69 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.878 1.361 . . . . 0.0 108.077 178.455 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 5.2 tt0 -58.81 -42.28 88.75 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.719 1.262 . . . . 0.0 111.244 179.988 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 73' ' ' THR . . . . . 0.528 HG22 HD22 ' A' ' 74' ' ' LEU . 0.9 OUTLIER -69.75 -41.58 75.02 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.344 1.027 . . . . 0.0 110.419 -179.816 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 74' ' ' LEU . . . . . 0.567 HD23 ' O ' ' A' ' 70' ' ' GLU . 2.9 mm? -71.75 -19.37 62.04 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.569 1.168 . . . . 0.0 110.669 -179.355 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -83.68 -20.11 34.12 Favored 'General case' 0 C--N 1.326 -0.43 0 O-C-N 124.161 0.913 . . . . 0.0 110.218 -179.789 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 28.4 ttmt -83.51 -21.01 32.91 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.55 1.156 . . . . 0.0 109.875 -179.557 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 77' ' ' TRP . . . . . 0.618 ' CZ3' ' CZ ' ' A' ' 27' ' ' TYR . 35.3 t90 -87.9 -40.18 14.17 Favored 'General case' 0 C--N 1.324 -0.526 0 N-CA-C 106.719 -1.585 . . . . 0.0 106.719 178.986 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 78' ' ' VAL . . . . . 0.698 HG11 ' CMA' ' A' ' 83' ' ' HEM . 1.2 t -57.82 -50.38 77.88 Favored 'Isoleucine or valine' 0 CA--C 1.544 0.742 0 N-CA-C 105.553 -2.017 . . . . 0.0 105.553 176.299 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 79' ' ' LEU . . . . . 0.636 HD12 ' HG3' ' A' ' 41' ' ' GLU . 0.1 OUTLIER -65.6 -82.01 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 113.592 -1.64 . . . . 0.0 108.311 179.007 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -57.7 99.58 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.762 1.289 . . . . 0.0 109.463 179.649 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 81' ' ' GLN . . . . . 0.549 ' OE1' ' HB1' ' A' ' 31' ' ' ALA . 11.8 pt20 -66.8 -157.79 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.579 1.175 . . . . 0.0 110.454 -179.718 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.327 -0.413 0 O-C-N 124.369 1.043 . . . . 0.0 109.262 179.914 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 83' ' ' HEM . . . . . 0.715 HMB3 HD13 ' A' ' 48' ' ' ILE . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 1' ' ' GLU . . . . . . . . . . . . . 4.2 pt-20 . . . . . 0 N--CA 1.453 -0.32 0 N-CA-C 110.323 -0.251 . . . . 0.0 110.323 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 29.6 m-20 -136.85 160.36 66.61 Favored Pre-proline 0 C--N 1.325 -0.478 0 O-C-N 124.495 1.122 . . . . 0.0 109.209 -179.96 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 3' ' ' PRO . . . . . . . . . . . . . 19.1 Cg_endo -77.07 -18.86 14.16 Favored 'Trans proline' 0 C--N 1.36 1.165 0 O-C-N 124.47 1.773 . . . . 0.0 111.266 179.785 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 4' ' ' GLU . . . . . 0.518 ' HG2' ' CE2' ' A' ' 77' ' ' TRP . 11.9 mt-10 -81.59 -23.93 36.78 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.548 1.155 . . . . 0.0 109.866 179.613 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 73.5 t -87.51 -28.61 5.6 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.57 1.169 . . . . 0.0 108.813 179.455 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 6' ' ' LEU . . . . . 0.458 ' HA ' HD23 ' A' ' 6' ' ' LEU . 1.0 OUTLIER -82.52 -32.42 28.69 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.654 1.221 . . . . 0.0 108.811 179.528 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 7' ' ' PHE . . . . . 0.743 ' CZ ' HG23 ' A' ' 13' ' ' VAL . 2.7 t80 -67.02 -27.17 67.19 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.717 1.26 . . . . 0.0 110.703 179.94 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -89.83 -21.94 22.33 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.465 1.103 . . . . 0.0 109.872 179.93 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 8.4 t30 -116.03 59.89 0.72 Allowed 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.508 1.13 . . . . 0.0 109.252 -179.885 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 1.3 tptp -155.46 -44.4 0.08 Allowed 'General case' 0 C--N 1.327 -0.375 0 O-C-N 124.359 1.037 . . . . 0.0 110.367 -179.838 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 11' ' ' GLY . . . . . 0.512 ' O ' HMC1 ' A' ' 83' ' ' HEM . . . 136.35 -6.73 3.96 Favored Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.343 1.027 . . . . 0.0 111.921 -179.634 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 12' ' ' CYS . . . . . 0.64 ' HB2' ' CD1' ' A' ' 7' ' ' PHE . 57.5 m -57.3 -60.8 3.09 Favored 'General case' 0 N--CA 1.448 -0.544 0 O-C-N 124.098 0.528 . . . . 0.0 109.92 -179.772 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 13' ' ' VAL . . . . . 0.743 HG23 ' CZ ' ' A' ' 7' ' ' PHE . 0.4 OUTLIER -61.82 -5.14 1.09 Allowed 'Isoleucine or valine' 0 CA--C 1.536 0.435 0 N-CA-C 114.503 1.298 . . . . 0.0 114.503 -176.39 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -52.4 -28.39 19.55 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 125.869 1.98 . . . . 0.0 108.064 179.412 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 1.6 p -156.29 16.03 0.33 Allowed 'General case' 0 C--O 1.238 0.448 0 O-C-N 124.984 1.428 . . . . 0.0 112.161 -179.297 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 16' ' ' HIS . . . . . 0.569 ' CE1' ' HD2' ' A' ' 25' ' ' PRO . 2.1 m-70 -98.83 -73.29 0.63 Allowed 'General case' 0 C--N 1.326 -0.456 0 N-CA-C 114.111 1.152 . . . . 0.0 114.111 -178.559 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . 70.14 157.73 0.17 Allowed 'General case' 0 CA--C 1.538 0.507 0 N-CA-C 107.247 -1.39 . . . . 0.0 107.247 -175.758 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 18' ' ' ILE . . . . . 0.597 HD12 ' N ' ' A' ' 19' ' ' ASP . 0.8 OUTLIER -92.17 -57.03 4.6 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.373 0 O-C-N 124.47 1.106 . . . . 0.0 111.254 -178.652 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 19' ' ' ASP . . . . . 0.597 ' N ' HD12 ' A' ' 18' ' ' ILE . 6.2 p-10 -98.86 16.72 21.44 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 115.166 -0.925 . . . . 0.0 111.282 -179.138 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -130.95 158.8 39.28 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.477 1.11 . . . . 0.0 110.288 179.567 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 15.4 mttt -119.06 165.44 14.13 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.511 1.132 . . . . 0.0 109.579 -179.611 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 22' ' ' MET . . . . . 0.48 ' CG ' HG23 ' A' ' 23' ' ' VAL . 1.5 tpp -175.0 -93.72 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.399 1.062 . . . . 0.0 110.602 179.689 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 23' ' ' VAL . . . . . 0.59 HG12 HMD3 ' A' ' 83' ' ' HEM . 8.3 t -97.13 -45.83 12.76 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.445 0 N-CA-C 107.817 -1.179 . . . . 0.0 107.817 178.342 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -102.89 172.44 21.72 Favored Glycine 0 CA--C 1.532 1.152 0 O-C-N 124.731 1.269 . . . . 0.0 110.962 179.683 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 25' ' ' PRO . . . . . 0.649 ' CD ' ' CHA' ' A' ' 83' ' ' HEM . 61.9 Cg_endo -73.71 152.44 47.67 Favored 'Trans proline' 0 C--N 1.359 1.099 0 O-C-N 124.369 1.72 . . . . 0.0 112.592 -178.886 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 26' ' ' ALA . . . . . 0.523 ' HB1' ' O ' ' A' ' 18' ' ' ILE . . . -75.42 128.01 34.4 Favored 'General case' 0 C--N 1.325 -0.495 0 N-CA-C 106.512 -1.662 . . . . 0.0 106.512 176.852 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 27' ' ' TYR . . . . . 0.721 ' CE2' HG23 ' A' ' 78' ' ' VAL . 9.1 m-85 -55.14 -27.68 47.26 Favored 'General case' 0 C--N 1.323 -0.566 0 O-C-N 124.759 1.287 . . . . 0.0 111.222 -178.217 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -68.82 -45.03 72.24 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.598 1.186 . . . . 0.0 109.447 179.876 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 29' ' ' ASP . . . . . 0.417 ' CG ' ' HB3' ' A' ' 26' ' ' ALA . 7.1 m-20 -62.25 -36.65 82.67 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.825 1.328 . . . . 0.0 110.328 -179.752 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 30' ' ' VAL . . . . . 0.659 HG11 HG13 ' A' ' 78' ' ' VAL . 64.6 t -72.97 -31.23 34.85 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 N-CA-C 107.155 -1.424 . . . . 0.0 107.155 178.41 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 31' ' ' ALA . . . . . 0.615 ' HA ' ' HB2' ' A' ' 35' ' ' ALA . . . -91.5 17.35 8.77 Favored 'General case' 0 CA--C 1.534 0.363 0 CA-C-N 114.28 -1.327 . . . . 0.0 109.357 178.542 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -137.37 10.71 2.99 Favored 'General case' 0 CA--C 1.538 0.497 0 CA-C-N 115.208 -0.905 . . . . 0.0 110.159 178.791 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 33' ' ' LYS . . . . . 0.439 ' HA ' ' HE3' ' A' ' 33' ' ' LYS . 0.5 OUTLIER -139.12 -57.45 0.6 Allowed 'General case' 0 C--N 1.323 -0.551 0 O-C-N 124.66 1.225 . . . . 0.0 108.827 179.058 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 9.5 m-85 -87.95 -5.27 58.62 Favored 'General case' 0 C--N 1.326 -0.421 0 O-C-N 124.316 1.01 . . . . 0.0 112.656 -179.962 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 35' ' ' ALA . . . . . 0.615 ' HB2' ' HA ' ' A' ' 31' ' ' ALA . . . -72.84 147.26 45.59 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.386 1.054 . . . . 0.0 109.206 179.979 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 92.61 -29.8 7.51 Favored Glycine 0 CA--C 1.532 1.123 0 N-CA-C 110.165 -1.174 . . . . 0.0 110.165 -179.165 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 8.1 pt20 -105.56 140.74 38.19 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.538 0.787 . . . . 0.0 109.445 179.091 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -148.9 107.13 3.74 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.536 1.147 . . . . 0.0 109.796 -179.622 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . -144.96 25.26 1.92 Allowed Glycine 0 CA--C 1.531 1.039 0 O-C-N 124.536 1.148 . . . . 0.0 111.488 179.863 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 40' ' ' ALA . . . . . 0.406 ' C ' ' CG ' ' A' ' 41' ' ' GLU . . . -148.37 -94.55 0.08 Allowed 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.564 0.802 . . . . 0.0 109.783 179.868 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 41' ' ' GLU . . . . . 0.406 ' CG ' ' C ' ' A' ' 40' ' ' ALA . 0.0 OUTLIER 49.0 23.17 0.67 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.106 0.879 . . . . 0.0 110.646 -179.527 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -134.74 -57.03 0.83 Allowed 'General case' 0 CA--C 1.541 0.619 0 N-CA-C 105.918 -1.882 . . . . 0.0 105.918 177.707 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 3.1 tt0 -84.26 2.84 38.2 Favored 'General case' 0 CA--C 1.543 0.679 0 O-C-N 125.454 1.721 . . . . 0.0 109.562 175.085 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 44' ' ' LEU . . . . . 0.442 ' CD1' HD13 ' A' ' 79' ' ' LEU . 0.1 OUTLIER -90.77 -36.1 14.48 Favored 'General case' 0 C--N 1.323 -0.558 0 N-CA-C 106.816 -1.55 . . . . 0.0 106.816 177.711 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -73.56 -25.91 60.59 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 114.218 -1.355 . . . . 0.0 108.825 178.368 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 46' ' ' GLN . . . . . 0.413 ' O ' ' CB ' ' A' ' 50' ' ' ASN . 47.3 mm-40 -77.1 -24.83 51.74 Favored 'General case' 0 CA--C 1.537 0.458 0 CA-C-N 114.318 -1.31 . . . . 0.0 109.257 179.94 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 47' ' ' ARG . . . . . 0.454 ' O ' ' HE3' ' A' ' 61' ' ' MET . 0.0 OUTLIER -71.66 -37.56 70.78 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 125.461 1.726 . . . . 0.0 108.772 177.846 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 48' ' ' ILE . . . . . 0.933 HD13 HMB3 ' A' ' 83' ' ' HEM . 68.1 mt -55.66 -33.85 34.51 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 125.26 1.6 . . . . 0.0 110.146 179.478 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 49' ' ' LYS . . . . . 0.484 ' HD2' HG23 ' A' ' 66' ' ' VAL . 9.5 mmtt -117.59 7.51 12.64 Favored 'General case' 0 N--CA 1.449 -0.495 0 N-CA-C 114.569 1.322 . . . . 0.0 114.569 -177.22 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 50' ' ' ASN . . . . . 0.413 ' CB ' ' O ' ' A' ' 46' ' ' GLN . 57.7 t30 -126.01 -5.38 6.79 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 123.988 0.805 . . . . 0.0 111.011 179.58 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 83.44 136.17 2.81 Favored Glycine 0 CA--C 1.529 0.946 0 O-C-N 124.292 0.995 . . . . 0.0 111.512 179.547 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -87.25 -9.71 54.35 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.36 0.682 . . . . 0.0 111.29 179.877 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 53' ' ' GLN . . . . . 0.422 ' HG2' ' N ' ' A' ' 54' ' ' GLY . 0.6 OUTLIER 86.34 -39.73 0.04 OUTLIER 'General case' 0 C--N 1.324 -0.542 0 O-C-N 124.399 1.062 . . . . 0.0 111.911 179.608 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 54' ' ' GLY . . . . . 0.422 ' N ' ' HG2' ' A' ' 53' ' ' GLN . . . 135.68 96.78 0.5 Allowed Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.385 1.053 . . . . 0.0 111.051 -179.838 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 75.3 t -110.6 -31.1 2.28 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.5 0 O-C-N 124.538 0.787 . . . . 0.0 109.856 -179.801 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 56' ' ' TRP . . . . . 0.407 ' CH2' ' HB2' ' A' ' 29' ' ' ASP . 5.8 m95 -102.45 -41.66 6.23 Favored 'General case' 0 C--N 1.326 -0.425 0 O-C-N 124.373 1.046 . . . . 0.0 108.552 -179.822 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -144.16 174.19 24.57 Favored Glycine 0 CA--C 1.53 0.979 0 O-C-N 124.392 1.058 . . . . 0.0 110.986 -179.842 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 58' ' ' PRO . . . . . . . . . . . . . 28.5 Cg_endo -82.93 78.74 3.2 Favored 'Trans proline' 0 C--N 1.358 1.052 0 O-C-N 124.378 1.725 . . . . 0.0 111.19 -179.661 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 59' ' ' ILE . . . . . . . . . . . . . 1.2 tt -172.33 113.26 0.38 Allowed Pre-proline 0 C--N 1.325 -0.487 0 O-C-N 124.411 1.069 . . . . 0.0 109.181 179.855 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 60' ' ' PRO . . . . . 0.415 ' HB3' ' HA ' ' A' ' 53' ' ' GLN . 29.7 Cg_endo -80.02 115.49 3.28 Favored 'Trans proline' 0 C--N 1.359 1.109 0 O-C-N 124.388 1.73 . . . . 0.0 112.333 -179.144 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 61' ' ' MET . . . . . 0.534 ' HB2' ' C1D' ' A' ' 83' ' ' HEM . 5.5 ttp -43.7 138.38 3.05 Favored Pre-proline 0 C--N 1.325 -0.481 0 O-C-N 124.483 1.114 . . . . 0.0 112.132 179.669 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 62' ' ' PRO . . . . . 0.515 ' HG2' HBC2 ' A' ' 83' ' ' HEM . 23.3 Cg_exo -45.37 105.75 0.08 OUTLIER 'Trans proline' 0 C--N 1.361 1.237 0 O-C-N 124.526 1.803 . . . . 0.0 111.672 179.805 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 63' ' ' PRO . . . . . . . . . . . . . 38.2 Cg_endo -81.97 93.27 0.94 Allowed 'Trans proline' 0 C--N 1.359 1.089 0 O-C-N 124.291 1.679 . . . . 0.0 111.136 -179.72 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 41.6 t30 -135.71 86.86 2.27 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.177 0.923 . . . . 0.0 109.651 179.958 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 65' ' ' ALA . . . . . 0.483 ' HA ' ' HB3' ' A' ' 49' ' ' LYS . . . -41.35 138.45 1.23 Allowed 'General case' 0 N--CA 1.449 -0.507 0 O-C-N 124.505 1.128 . . . . 0.0 112.882 -179.232 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 66' ' ' VAL . . . . . 0.58 HG12 ' N ' ' A' ' 67' ' ' SER . 2.3 t -117.66 -71.52 0.72 Allowed 'Isoleucine or valine' 0 CA--C 1.536 0.416 0 CA-C-N 114.882 -1.054 . . . . 0.0 108.397 178.998 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 67' ' ' SER . . . . . 0.58 ' N ' HG12 ' A' ' 66' ' ' VAL . 89.6 p -175.88 -138.14 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.741 1.276 . . . . 0.0 109.459 -179.773 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 6.8 m-20 -144.27 44.0 1.42 Allowed 'General case' 0 C--N 1.324 -0.539 0 O-C-N 124.13 0.893 . . . . 0.0 109.214 179.559 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -149.55 -66.02 0.22 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.719 1.262 . . . . 0.0 110.059 179.924 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 2.1 mt-10 -56.66 -36.61 69.76 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.539 1.149 . . . . 0.0 108.706 179.63 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -80.02 -32.03 39.58 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-N 114.144 -1.389 . . . . 0.0 108.909 178.97 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -65.09 -16.81 63.88 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.555 1.159 . . . . 0.0 111.581 -179.694 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 3.0 m -84.32 -45.27 12.97 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.265 0.978 . . . . 0.0 111.104 -179.653 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 74' ' ' LEU . . . . . 0.662 ' HB3' HMB2 ' A' ' 83' ' ' HEM . 0.2 OUTLIER -81.74 -8.07 59.66 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.464 1.102 . . . . 0.0 111.329 -179.316 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -85.19 -34.74 21.99 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.201 0.938 . . . . 0.0 109.809 -179.871 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 4.5 ptmt -82.05 -15.85 52.12 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.553 1.158 . . . . 0.0 110.345 -179.47 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 77' ' ' TRP . . . . . 0.613 ' CZ3' ' CE2' ' A' ' 27' ' ' TYR . 38.6 t90 -88.31 -34.53 17.63 Favored 'General case' 0 C--N 1.324 -0.521 0 N-CA-C 106.931 -1.507 . . . . 0.0 106.931 179.038 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 78' ' ' VAL . . . . . 0.743 HG11 ' CMA' ' A' ' 83' ' ' HEM . 0.8 OUTLIER -64.79 -53.78 37.83 Favored 'Isoleucine or valine' 0 CA--C 1.543 0.689 0 N-CA-C 106.246 -1.761 . . . . 0.0 106.246 176.964 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 79' ' ' LEU . . . . . 0.623 ' N ' HG12 ' A' ' 78' ' ' VAL . 9.4 tp -60.95 -64.38 0.97 Allowed 'General case' 0 N--CA 1.453 -0.311 0 CA-C-N 113.625 -1.625 . . . . 0.0 110.239 -178.624 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -107.41 117.0 32.95 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.393 1.058 . . . . 0.0 109.973 -179.782 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 81' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -51.27 -49.65 60.78 Favored 'General case' 0 C--N 1.327 -0.401 0 O-C-N 124.38 1.05 . . . . 0.0 110.146 -179.912 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 1.5 ptpp? . . . . . 0 C--N 1.326 -0.444 0 O-C-N 124.424 1.078 . . . . 0.0 109.187 179.527 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 83' ' ' HEM . . . . . 0.933 HMB3 HD13 ' A' ' 48' ' ' ILE . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 stop_ save_