data_1lgl_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 1lgl _Structure_validation_residue.Date_analyzed 2016-10-06 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' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo . . . . . 0 N--CA 1.454 -0.841 0 N-CA-C 110.926 -0.452 . . . . 0.0 110.926 . . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 46.0 p -127.12 -161.28 1.06 Allowed 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.57 1.169 . . . . 0.0 110.393 -179.772 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 41.9 p-10 -118.41 11.23 12.95 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.511 1.132 . . . . 0.0 109.307 173.808 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 5' ' ' ILE . . . . . . . . . . . . . 50.8 mt -74.71 112.47 12.03 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.443 0 O-C-N 124.519 1.137 . . . . 0.0 109.284 178.809 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 38.3 ttpt -73.22 145.41 46.24 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.422 1.076 . . . . 0.0 109.28 -172.556 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 7' ' ' CYS . . . . . 0.551 ' SG ' ' SG ' ' A' ' 13' ' ' CYS . 11.2 p -153.13 154.22 34.35 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.499 1.124 . . . . 0.0 108.255 179.328 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 7.9 p -100.48 -23.7 14.66 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.581 1.175 . . . . 0.0 110.038 173.252 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 4.3 mp0 -149.55 163.7 37.12 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.561 1.163 . . . . 0.0 110.282 -173.005 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 19.8 m -80.06 -33.12 39.25 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.502 1.126 . . . . 0.0 110.013 -165.502 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 16.5 p90 -72.1 -9.72 58.8 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.443 1.089 . . . . 0.0 111.013 -177.174 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 70.5 mt-30 -78.04 -28.83 49.06 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.532 1.145 . . . . 0.0 110.291 173.189 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 13' ' ' CYS . . . . . 0.551 ' SG ' ' SG ' ' A' ' 7' ' ' CYS . 74.6 m -85.48 -38.97 18.0 Favored 'General case' 0 C--N 1.326 -0.432 0 O-C-N 124.469 1.105 . . . . 0.0 108.292 -172.494 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 14' ' ' PHE . . . . . 0.591 ' N ' ' CD ' ' A' ' 15' ' ' PRO . 0.1 OUTLIER -55.99 -46.19 99.8 Favored Pre-proline 0 C--N 1.325 -0.495 0 O-C-N 124.454 1.097 . . . . 0.0 110.929 -162.103 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 15' ' ' PRO . . . . . 0.591 ' CD ' ' N ' ' A' ' 14' ' ' PHE . 18.5 Cg_endo -74.97 -29.69 8.01 Favored 'Trans proline' 0 C--N 1.359 1.119 0 O-C-N 124.561 1.822 . . . . 0.0 111.109 -177.543 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 1.1 t -68.66 -36.58 75.1 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 O-C-N 124.485 1.115 . . . . 0.0 109.3 178.72 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 93.1 m -75.0 -41.15 60.03 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.452 1.095 . . . . 0.0 108.299 -177.467 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 14.8 tmtt? -65.55 -36.3 83.38 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.484 1.115 . . . . 0.0 109.302 -179.35 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 42.6 t -72.06 -51.5 21.33 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.499 1.124 . . . . 0.0 110.008 -179.447 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 9.2 tpm_? -79.89 -57.9 3.43 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.541 1.15 . . . . 0.0 110.243 -166.924 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 40.3 m-85 -97.91 -20.88 17.19 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.386 1.054 . . . . 0.0 111.017 -167.838 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 80.62 27.27 51.75 Favored Glycine 0 CA--C 1.529 0.932 0 O-C-N 124.458 1.099 . . . . 0.0 111.027 -178.45 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 25.2 mmtt -80.41 172.49 13.69 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.474 0.749 . . . . 0.0 109.341 179.669 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 7.4 p -89.72 -31.95 17.22 Favored 'General case' 0 C--N 1.324 -0.536 0 O-C-N 124.545 1.153 . . . . 0.0 110.326 -170.447 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 38.4 t-20 -163.51 160.41 23.17 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.477 1.11 . . . . 0.0 109.296 -176.32 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -139.28 158.15 25.26 Favored Glycine 0 CA--C 1.529 0.96 0 O-C-N 124.474 1.109 . . . . 0.0 111.062 178.049 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 19.1 ptt180 -151.79 142.71 23.02 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.518 0.775 . . . . 0.0 110.282 -175.644 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 3.9 t -88.04 104.37 16.59 Favored 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.485 1.116 . . . . 0.0 108.324 -168.935 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 91.7 t -99.73 112.57 32.49 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.503 1.127 . . . . 0.0 109.33 177.527 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 34.7 m-20 58.1 35.11 24.87 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.576 1.173 . . . . 0.0 109.273 173.21 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . 83.77 12.13 78.1 Favored Glycine 0 CA--C 1.531 1.043 0 O-C-N 124.446 1.091 . . . . 0.0 110.942 171.012 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 32' ' ' PHE . . . . . . . . . . . . . 73.2 m-85 -137.35 145.57 43.5 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.531 0.783 . . . . 0.0 111.009 177.525 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 33' ' ' CYS . . . . . . . . . . . . . 84.0 m -71.33 139.39 49.87 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.478 1.111 . . . . 0.0 108.255 -167.472 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 27.1 t70 -124.95 119.28 28.29 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.497 1.123 . . . . 0.0 109.345 167.981 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 35' ' ' CYS . . . . . . . . . . . . . 56.6 m -105.04 140.69 37.85 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.527 1.142 . . . . 0.0 108.313 -171.085 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 36' ' ' PHE . . . . . . . . . . . . . 32.5 p90 . . . . . 0 C--N 1.325 -0.475 0 O-C-N 124.547 1.154 . . . . 0.0 111.033 -178.75 . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo . . . . . 0 N--CA 1.453 -0.872 0 N-CA-C 111.037 -0.409 . . . . 0.0 111.037 . . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 32.0 p -126.95 -164.54 1.36 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.523 1.14 . . . . 0.0 110.413 174.803 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 38.1 p-10 -110.44 6.19 21.97 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.381 1.051 . . . . 0.0 109.28 -174.725 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 5' ' ' ILE . . . . . . . . . . . . . 80.1 mt -81.03 110.98 17.1 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.524 1.14 . . . . 0.0 109.306 -178.284 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 58.1 pttt -69.79 153.75 42.91 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.449 1.093 . . . . 0.0 109.279 -179.022 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 7.6 p -161.99 156.06 21.77 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.517 1.136 . . . . 0.0 108.295 -178.317 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 93.3 p -96.35 -29.28 14.06 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.507 1.13 . . . . 0.0 109.969 169.671 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 38.6 mm-40 -149.57 162.11 40.83 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.531 1.145 . . . . 0.0 110.285 -165.134 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 51.8 m -80.2 -32.62 38.58 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.491 1.119 . . . . 0.0 110.011 -163.838 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 16.0 p90 -71.08 -11.54 61.01 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.508 1.13 . . . . 0.0 110.993 -177.004 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 78.0 mt-30 -75.74 -30.37 59.18 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.519 1.137 . . . . 0.0 110.292 173.062 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 81.0 m -85.4 -40.07 16.88 Favored 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.507 1.129 . . . . 0.0 108.261 -170.182 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 14' ' ' PHE . . . . . 0.591 ' N ' ' CD ' ' A' ' 15' ' ' PRO . 0.1 OUTLIER -56.71 -45.64 99.92 Favored Pre-proline 0 C--N 1.325 -0.496 0 O-C-N 124.554 1.159 . . . . 0.0 110.994 -161.809 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 15' ' ' PRO . . . . . 0.591 ' CD ' ' N ' ' A' ' 14' ' ' PHE . 18.1 Cg_endo -75.0 -29.79 7.85 Favored 'Trans proline' 0 C--N 1.36 1.171 0 O-C-N 124.529 1.805 . . . . 0.0 110.962 -178.678 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 1.1 t -68.66 -36.03 72.66 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.515 0 O-C-N 124.531 1.144 . . . . 0.0 109.271 179.647 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 73.7 m -75.0 -38.14 61.68 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.531 1.144 . . . . 0.0 108.265 -176.502 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 14.8 tmtt? -67.75 -37.75 82.56 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.452 1.095 . . . . 0.0 109.28 179.34 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 44.1 t -71.61 -48.48 47.77 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.537 1.148 . . . . 0.0 109.994 -178.533 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 25.9 tpt180 -82.5 -59.78 2.41 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.529 1.143 . . . . 0.0 110.298 -167.743 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 35.0 m-85 -96.96 -20.49 18.06 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.524 1.14 . . . . 0.0 111.047 -168.015 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 80.61 23.97 59.34 Favored Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.499 1.124 . . . . 0.0 111.037 -176.488 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 94.6 mttt -87.99 157.51 18.9 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.492 0.76 . . . . 0.0 109.347 -178.679 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 8.1 p -74.84 -38.56 61.96 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.532 1.145 . . . . 0.0 110.436 -164.877 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 7.3 t-20 -160.44 164.09 32.54 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.446 1.091 . . . . 0.0 109.255 -178.98 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -151.55 150.9 22.89 Favored Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.471 1.107 . . . . 0.0 110.944 175.547 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 87.1 mtm180 -130.35 151.65 50.62 Favored 'General case' 0 C--N 1.326 -0.429 0 O-C-N 124.47 0.747 . . . . 0.0 110.317 -176.742 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 8.2 t -86.98 97.61 10.81 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.507 1.129 . . . . 0.0 108.316 -171.217 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 92.4 t -95.06 112.43 27.49 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.527 0 O-C-N 124.547 1.154 . . . . 0.0 109.274 -179.998 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 35.7 m-20 57.97 36.85 26.52 Favored 'General case' 0 C--N 1.323 -0.545 0 O-C-N 124.503 1.127 . . . . 0.0 109.23 172.966 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . 84.11 11.65 78.2 Favored Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.447 1.092 . . . . 0.0 110.998 170.221 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 32' ' ' PHE . . . . . . . . . . . . . 47.8 m-85 -140.09 144.78 36.97 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.535 0.786 . . . . 0.0 110.975 177.026 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 33' ' ' CYS . . . . . . . . . . . . . 84.3 m -70.96 143.52 50.83 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.45 1.093 . . . . 0.0 108.332 -169.323 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 10.0 t0 -129.11 111.14 12.63 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.5 1.125 . . . . 0.0 109.291 171.144 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 35' ' ' CYS . . . . . . . . . . . . . 74.5 m -105.39 141.86 36.16 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.53 1.144 . . . . 0.0 108.335 -165.16 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 36' ' ' PHE . . . . . . . . . . . . . 29.5 p90 . . . . . 0 C--N 1.324 -0.502 0 O-C-N 124.476 1.11 . . . . 0.0 111.005 -178.914 . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo . . . . . 0 N--CA 1.453 -0.906 0 N-CA-C 111.001 -0.423 . . . . 0.0 111.001 . . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 30.5 p -125.6 -164.29 1.29 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.457 1.098 . . . . 0.0 110.357 175.801 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 5.7 p-10 -101.53 -8.54 21.82 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.486 1.116 . . . . 0.0 109.311 -174.348 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 5' ' ' ILE . . . . . . . . . . . . . 77.6 mt -77.85 113.72 17.43 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.442 0 O-C-N 124.417 1.073 . . . . 0.0 109.312 -171.503 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -72.17 157.0 38.56 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.498 1.124 . . . . 0.0 109.316 179.059 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 7' ' ' CYS . . . . . 0.565 ' SG ' ' SG ' ' A' ' 13' ' ' CYS . 3.8 p -161.44 154.87 21.45 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.415 1.072 . . . . 0.0 108.346 -177.649 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 97.0 p -102.92 -20.69 14.15 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.498 1.124 . . . . 0.0 110.012 175.076 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 1.4 mp0 -149.51 159.72 44.07 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.456 1.097 . . . . 0.0 110.363 -169.607 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 58.0 m -79.2 -35.93 40.96 Favored 'General case' 0 C--N 1.324 -0.532 0 O-C-N 124.437 1.086 . . . . 0.0 109.959 -165.054 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 14.9 p90 -75.47 -2.18 27.6 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.498 1.124 . . . . 0.0 111.06 -175.867 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 79.3 mt-30 -76.12 -35.94 59.06 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.546 1.154 . . . . 0.0 110.296 168.099 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 13' ' ' CYS . . . . . 0.565 ' SG ' ' SG ' ' A' ' 7' ' ' CYS . 63.9 m -85.9 -35.14 20.72 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.553 1.158 . . . . 0.0 108.251 -169.441 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 14' ' ' PHE . . . . . 0.594 ' N ' ' CD ' ' A' ' 15' ' ' PRO . 0.1 OUTLIER -59.29 -43.84 97.3 Favored Pre-proline 0 C--N 1.325 -0.483 0 O-C-N 124.445 1.09 . . . . 0.0 111.024 -162.379 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 15' ' ' PRO . . . . . 0.594 ' CD ' ' N ' ' A' ' 14' ' ' PHE . 18.1 Cg_endo -75.12 -35.65 2.94 Favored 'Trans proline' 0 C--N 1.36 1.169 0 O-C-N 124.451 1.764 . . . . 0.0 110.914 178.331 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 0.9 OUTLIER -56.63 -41.07 72.96 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.465 1.103 . . . . 0.0 109.359 176.729 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 98.8 m -75.2 -46.46 33.9 Favored 'General case' 0 C--N 1.326 -0.426 0 O-C-N 124.487 1.117 . . . . 0.0 108.235 -174.543 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 66.4 tttm -63.56 -36.21 83.02 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.481 1.113 . . . . 0.0 109.288 -174.271 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 67.3 m -81.1 -62.08 1.77 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.602 1.189 . . . . 0.0 109.973 -176.647 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 41.1 ttp85 -85.12 -40.03 17.23 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.499 1.124 . . . . 0.0 110.257 -159.073 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 62.2 m-85 -91.6 -26.27 18.79 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.41 1.069 . . . . 0.0 110.962 -178.773 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 82.78 34.34 22.17 Favored Glycine 0 CA--C 1.531 1.043 0 O-C-N 124.515 1.135 . . . . 0.0 110.973 177.957 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 4.7 tptp -95.11 -174.05 3.12 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.523 0.778 . . . . 0.0 109.33 -177.011 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 5.7 p -98.62 -32.94 11.17 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.524 1.14 . . . . 0.0 110.39 -175.37 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 55.6 t30 -163.57 157.94 20.11 Favored 'General case' 0 C--N 1.324 -0.535 0 O-C-N 124.558 1.161 . . . . 0.0 109.344 -177.656 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -147.23 147.75 18.79 Favored Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.517 1.136 . . . . 0.0 111.037 178.99 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 67.2 mtp85 -143.06 159.91 41.37 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.494 0.761 . . . . 0.0 110.182 -179.592 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 8.2 t -92.19 101.42 13.93 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.453 1.096 . . . . 0.0 108.229 -172.252 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 96.7 t -96.01 111.58 26.57 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.436 1.085 . . . . 0.0 109.348 179.451 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 35.0 m-20 58.13 37.04 26.34 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.515 1.135 . . . . 0.0 109.307 172.772 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . 85.17 10.31 78.32 Favored Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.414 1.071 . . . . 0.0 111.004 169.873 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 32' ' ' PHE . . . . . . . . . . . . . 51.3 m-85 -140.05 145.49 37.78 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.457 0.739 . . . . 0.0 111.022 177.496 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 33' ' ' CYS . . . . . . . . . . . . . 85.0 m -71.97 145.29 48.49 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.462 1.101 . . . . 0.0 108.236 -168.388 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 11.2 t0 -134.0 123.17 24.12 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.482 1.113 . . . . 0.0 109.284 172.875 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 35' ' ' CYS . . . . . . . . . . . . . 63.7 m -105.34 134.82 47.81 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.507 1.129 . . . . 0.0 108.272 -172.476 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 36' ' ' PHE . . . . . . . . . . . . . 45.6 p90 . . . . . 0 C--N 1.325 -0.47 0 O-C-N 124.483 1.114 . . . . 0.0 110.998 179.748 . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo . . . . . 0 N--CA 1.452 -0.919 0 N-CA-C 111.004 -0.421 . . . . 0.0 111.004 . . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 23.8 p -132.87 -164.19 1.44 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.527 1.142 . . . . 0.0 110.435 177.588 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 5.8 p-10 -107.27 -0.1 22.8 Favored 'General case' 0 C--N 1.324 -0.54 0 O-C-N 124.516 1.135 . . . . 0.0 109.299 -176.097 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 5' ' ' ILE . . . . . . . . . . . . . 77.0 mt -80.86 117.99 27.84 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.524 1.14 . . . . 0.0 109.247 -173.615 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 98.9 mttt -75.59 149.81 38.19 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.422 1.076 . . . . 0.0 109.273 -178.832 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 7' ' ' CYS . . . . . 0.491 ' SG ' ' SG ' ' A' ' 13' ' ' CYS . 6.7 p -158.75 157.23 31.29 Favored 'General case' 0 C--N 1.326 -0.43 0 O-C-N 124.524 1.14 . . . . 0.0 108.285 179.773 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 93.8 p -98.45 -27.89 13.86 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.512 1.133 . . . . 0.0 109.977 169.403 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 61.5 mm-40 -149.21 161.16 42.56 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.508 1.13 . . . . 0.0 110.269 -164.223 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 37.5 m -80.06 -32.4 39.35 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.525 1.14 . . . . 0.0 110.03 -162.94 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 17.3 p90 -70.6 -12.11 61.36 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.466 1.104 . . . . 0.0 111.031 -176.673 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 72.9 mt-30 -74.61 -32.81 62.45 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.493 1.121 . . . . 0.0 110.34 173.159 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 13' ' ' CYS . . . . . 0.491 ' SG ' ' SG ' ' A' ' 7' ' ' CYS . 84.1 m -85.57 -39.16 17.67 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.558 1.162 . . . . 0.0 108.318 -168.588 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 14' ' ' PHE . . . . . 0.596 ' N ' ' CD ' ' A' ' 15' ' ' PRO . 0.1 OUTLIER -57.68 -45.22 99.85 Favored Pre-proline 0 C--N 1.325 -0.5 0 O-C-N 124.509 1.13 . . . . 0.0 111.007 -162.01 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 15' ' ' PRO . . . . . 0.596 ' CD ' ' N ' ' A' ' 14' ' ' PHE . 18.3 Cg_endo -75.0 -29.91 7.72 Favored 'Trans proline' 0 C--N 1.359 1.127 0 O-C-N 124.449 1.762 . . . . 0.0 111.003 -179.158 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 1.1 t -69.01 -36.35 73.45 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.569 1.168 . . . . 0.0 109.288 -179.205 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 91.6 m -74.94 -37.81 61.9 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.502 1.126 . . . . 0.0 108.245 -177.484 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 28.4 ttpp -70.05 -34.43 73.21 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.449 1.093 . . . . 0.0 109.282 -178.834 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 43.6 t -74.79 -52.6 11.04 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.507 1.13 . . . . 0.0 110.026 -178.633 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 40.2 ttm180 -82.78 -57.6 3.24 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.556 1.16 . . . . 0.0 110.333 -164.901 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 34.8 m-85 -95.69 -21.0 18.47 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.456 1.098 . . . . 0.0 110.971 -170.707 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 78.96 35.98 29.5 Favored Glycine 0 CA--C 1.531 1.041 0 O-C-N 124.486 1.116 . . . . 0.0 110.962 -177.951 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 9.8 mptt -91.65 158.25 16.51 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.506 0.768 . . . . 0.0 109.322 178.893 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 6.9 p -75.02 -35.52 61.96 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.532 1.145 . . . . 0.0 110.371 -169.301 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 7.4 t-20 -159.62 164.65 33.95 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.578 1.174 . . . . 0.0 109.296 179.307 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -152.23 147.28 16.83 Favored Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.479 1.112 . . . . 0.0 110.985 176.683 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 72.5 mtp85 -138.5 153.06 48.77 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.507 0.769 . . . . 0.0 110.323 -175.826 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 7.9 t -88.66 103.12 15.64 Favored 'General case' 0 C--N 1.324 -0.53 0 O-C-N 124.531 1.145 . . . . 0.0 108.34 -169.148 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 98.0 t -98.98 110.37 26.14 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.506 1.129 . . . . 0.0 109.295 178.669 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 36.2 m-20 58.47 37.45 25.63 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.546 1.154 . . . . 0.0 109.343 170.997 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . 86.84 8.35 76.42 Favored Glycine 0 CA--C 1.53 1.031 0 O-C-N 124.435 1.085 . . . . 0.0 110.962 169.275 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 32' ' ' PHE . . . . . . . . . . . . . 46.8 m-85 -136.28 144.95 45.04 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.533 0.784 . . . . 0.0 110.969 176.698 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 33' ' ' CYS . . . . . . . . . . . . . 87.9 m -71.88 140.26 49.2 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.47 1.106 . . . . 0.0 108.29 -172.318 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 10.4 t70 -124.79 116.05 21.67 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.5 1.125 . . . . 0.0 109.304 171.488 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 35' ' ' CYS . . . . . . . . . . . . . 86.2 m -103.95 137.26 42.19 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.529 1.143 . . . . 0.0 108.376 -169.521 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 36' ' ' PHE . . . . . . . . . . . . . 44.4 p90 . . . . . 0 C--N 1.324 -0.503 0 O-C-N 124.447 1.092 . . . . 0.0 111.025 -179.562 . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo . . . . . 0 N--CA 1.452 -0.933 0 N-CA-C 111.011 -0.419 . . . . 0.0 111.011 . . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 15.0 p -132.52 -160.02 1.01 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.412 1.07 . . . . 0.0 110.439 -179.567 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 19.5 p-10 -125.92 20.01 7.72 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.551 1.157 . . . . 0.0 109.252 173.29 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 5' ' ' ILE . . . . . . . . . . . . . 49.9 mt -75.15 108.78 7.28 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.517 1.136 . . . . 0.0 109.297 178.488 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 58.0 pttt -66.6 148.11 52.34 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.505 1.128 . . . . 0.0 109.308 -170.656 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 7' ' ' CYS . . . . . 0.401 ' SG ' ' SG ' ' A' ' 13' ' ' CYS . 11.3 p -159.14 156.12 28.46 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.536 1.147 . . . . 0.0 108.275 178.41 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 90.9 p -97.52 -27.82 14.25 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.576 1.173 . . . . 0.0 110.01 170.142 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 4.5 mm-40 -149.9 163.51 37.86 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.503 1.127 . . . . 0.0 110.349 -166.945 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 58.1 m -80.05 -33.61 38.89 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.485 1.115 . . . . 0.0 110.027 -164.285 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 16.3 p90 -71.2 -10.02 59.07 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.586 1.178 . . . . 0.0 110.986 -176.584 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 79.2 mt-30 -77.31 -30.03 53.92 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.485 1.116 . . . . 0.0 110.272 173.199 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 13' ' ' CYS . . . . . 0.401 ' SG ' ' SG ' ' A' ' 7' ' ' CYS . 68.3 m -85.53 -35.77 20.91 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.512 1.133 . . . . 0.0 108.353 -172.334 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 14' ' ' PHE . . . . . 0.584 ' N ' ' CD ' ' A' ' 15' ' ' PRO . 0.1 OUTLIER -56.29 -45.5 99.91 Favored Pre-proline 0 C--N 1.326 -0.454 0 O-C-N 124.389 1.056 . . . . 0.0 111.034 -163.321 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 15' ' ' PRO . . . . . 0.584 ' CD ' ' N ' ' A' ' 14' ' ' PHE . 18.0 Cg_endo -75.06 -32.87 4.95 Favored 'Trans proline' 0 C--N 1.36 1.135 0 O-C-N 124.514 1.797 . . . . 0.0 111.023 -179.871 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 0.9 OUTLIER -61.26 -39.15 81.62 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.55 1.157 . . . . 0.0 109.25 177.27 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 83.5 m -75.16 -39.85 60.01 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.534 1.146 . . . . 0.0 108.3 -174.009 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 28.4 ttpp -69.08 -32.4 71.81 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.463 1.102 . . . . 0.0 109.288 -178.261 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 45.6 t -74.51 -50.85 16.56 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.512 1.133 . . . . 0.0 110.054 179.903 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 73.0 ttt180 -82.24 -59.99 2.36 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.487 1.117 . . . . 0.0 110.287 -166.66 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 62.2 m-85 -95.52 -18.96 20.21 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.512 1.133 . . . . 0.0 110.928 -169.598 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 78.79 25.47 60.31 Favored Glycine 0 CA--C 1.531 1.068 0 O-C-N 124.473 1.108 . . . . 0.0 110.955 -178.545 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 55.4 mttp -88.47 164.01 15.67 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.58 0.812 . . . . 0.0 109.322 -178.926 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 1.3 p -74.63 -37.81 62.68 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.533 1.145 . . . . 0.0 110.425 -167.003 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 6.1 t-20 -164.52 165.97 20.8 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.495 1.122 . . . . 0.0 109.328 -173.205 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -144.61 161.17 28.01 Favored Glycine 0 CA--C 1.53 1.016 0 O-C-N 124.425 1.078 . . . . 0.0 110.998 176.81 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 16.7 ptm180 -141.91 147.72 37.53 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.51 0.77 . . . . 0.0 110.324 -178.183 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 5.7 t -89.88 99.59 12.57 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.508 1.13 . . . . 0.0 108.319 -168.881 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 83.3 t -94.88 110.01 23.2 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.511 1.132 . . . . 0.0 109.294 -179.239 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 32.1 m120 53.48 40.13 30.95 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.427 1.08 . . . . 0.0 109.303 176.049 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . 83.6 13.77 74.98 Favored Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.49 1.119 . . . . 0.0 111.026 168.606 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 32' ' ' PHE . . . . . . . . . . . . . 72.1 m-85 -139.79 142.54 36.7 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.532 0.784 . . . . 0.0 110.978 177.441 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 33' ' ' CYS . . . . . . . . . . . . . 84.0 m -71.69 137.44 47.81 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.552 1.157 . . . . 0.0 108.307 -168.905 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 12.5 t70 -124.93 115.34 20.44 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.474 1.109 . . . . 0.0 109.271 166.358 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 35' ' ' CYS . . . . . . . . . . . . . 66.8 m -94.92 151.59 19.07 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.511 1.132 . . . . 0.0 108.328 -171.659 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 36' ' ' PHE . . . . . . . . . . . . . 52.9 p90 . . . . . 0 C--N 1.323 -0.551 0 O-C-N 124.532 1.145 . . . . 0.0 111.04 177.375 . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo . . . . . 0 N--CA 1.454 -0.838 0 N-CA-C 110.965 -0.436 . . . . 0.0 110.965 . . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 31.9 p -126.54 -165.06 1.4 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.452 1.095 . . . . 0.0 110.38 177.994 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 12.4 p-10 -102.06 -6.1 23.75 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.414 1.071 . . . . 0.0 109.354 -173.974 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 5' ' ' ILE . . . . . . . . . . . . . 78.1 mt -76.73 120.89 27.84 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.515 0 O-C-N 124.556 1.16 . . . . 0.0 109.278 -172.032 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 98.8 mttt -78.37 152.16 32.44 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.494 1.122 . . . . 0.0 109.317 -177.484 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 7' ' ' CYS . . . . . 0.576 ' SG ' ' SG ' ' A' ' 13' ' ' CYS . 7.5 p -158.83 158.21 33.05 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.479 1.112 . . . . 0.0 108.307 179.027 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 89.5 p -99.59 -25.74 14.32 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.489 1.118 . . . . 0.0 110.061 169.894 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 1.2 mp0 -149.07 161.35 42.13 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.426 1.079 . . . . 0.0 110.284 -165.495 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 66.1 m -80.0 -34.48 38.46 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.517 1.135 . . . . 0.0 109.981 -165.008 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 21.4 p90 -72.4 -8.75 56.62 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.444 1.09 . . . . 0.0 111.04 -177.246 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 90.9 mt-30 -78.2 -29.76 48.61 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.497 1.123 . . . . 0.0 110.314 172.458 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 13' ' ' CYS . . . . . 0.576 ' SG ' ' SG ' ' A' ' 7' ' ' CYS . 72.7 m -85.36 -39.98 17.02 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.628 1.205 . . . . 0.0 108.39 -171.19 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 14' ' ' PHE . . . . . 0.59 ' N ' ' CD ' ' A' ' 15' ' ' PRO . 0.1 OUTLIER -56.8 -45.59 99.93 Favored Pre-proline 0 C--N 1.325 -0.48 0 O-C-N 124.441 1.088 . . . . 0.0 110.995 -162.351 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 15' ' ' PRO . . . . . 0.59 ' CD ' ' N ' ' A' ' 14' ' ' PHE . 18.6 Cg_endo -75.0 -29.81 7.83 Favored 'Trans proline' 0 C--N 1.36 1.158 0 O-C-N 124.502 1.791 . . . . 0.0 111.035 -179.147 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 1.2 t -68.02 -35.7 72.76 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.492 1.12 . . . . 0.0 109.294 179.089 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 79.9 m -74.86 -38.55 61.91 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.56 1.162 . . . . 0.0 108.324 -176.295 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 2.8 tmtm? -68.38 -35.71 78.09 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.494 1.121 . . . . 0.0 109.286 179.649 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 46.5 t -72.08 -49.6 35.09 Favored 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.53 1.144 . . . . 0.0 110.016 -179.142 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 51.2 tpt85 -82.32 -57.88 3.18 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.542 1.151 . . . . 0.0 110.251 -166.92 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 52.2 m-85 -98.85 -21.74 16.17 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.565 1.166 . . . . 0.0 111.033 -168.749 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 81.5 24.16 56.99 Favored Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.479 1.112 . . . . 0.0 110.978 -176.088 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 56.0 mttp -88.49 164.41 15.46 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.443 0.731 . . . . 0.0 109.271 -179.345 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 8.8 p -86.61 -31.46 21.14 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.493 1.121 . . . . 0.0 110.413 -159.088 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 10.9 t-20 -161.33 162.02 30.71 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.514 1.134 . . . . 0.0 109.329 -176.716 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -142.09 153.0 24.05 Favored Glycine 0 CA--C 1.531 1.061 0 O-C-N 124.484 1.115 . . . . 0.0 110.988 -179.926 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 10.8 tpp180 -140.02 136.76 34.04 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.543 0.79 . . . . 0.0 110.332 -179.081 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 6.8 t -85.04 97.14 9.66 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.406 1.066 . . . . 0.0 108.24 -171.534 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 95.4 t -94.96 110.69 24.33 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.504 1.127 . . . . 0.0 109.318 -179.943 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 35.8 m-20 58.57 35.78 24.76 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.501 1.126 . . . . 0.0 109.285 171.825 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . 85.42 11.8 74.32 Favored Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.469 1.105 . . . . 0.0 111.0 170.421 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 32' ' ' PHE . . . . . . . . . . . . . 58.6 m-85 -134.46 144.23 47.99 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.526 0.78 . . . . 0.0 110.997 175.401 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 33' ' ' CYS . . . . . . . . . . . . . 87.6 m -71.8 139.77 49.12 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.522 1.139 . . . . 0.0 108.295 -173.375 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 11.0 t0 -124.93 115.29 20.37 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.499 1.124 . . . . 0.0 109.276 170.185 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 35' ' ' CYS . . . . . . . . . . . . . 70.8 m -107.05 141.95 37.47 Favored 'General case' 0 C--N 1.326 -0.415 0 O-C-N 124.467 1.105 . . . . 0.0 108.326 -166.218 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 36' ' ' PHE . . . . . . . . . . . . . 20.0 p90 . . . . . 0 C--N 1.324 -0.522 0 O-C-N 124.451 1.094 . . . . 0.0 110.991 -179.097 . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo . . . . . 0 N--CA 1.453 -0.86 0 N-CA-C 110.987 -0.428 . . . . 0.0 110.987 . . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 17.4 p -131.81 -164.24 1.43 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.521 1.138 . . . . 0.0 110.406 -179.861 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 16.6 p-10 -112.75 3.92 16.77 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.457 1.098 . . . . 0.0 109.302 -177.345 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 5' ' ' ILE . . . . . . . . . . . . . 54.7 mt -75.11 113.71 14.23 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.559 1.162 . . . . 0.0 109.306 -174.666 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 84.5 tttt -74.55 144.86 43.84 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.553 1.158 . . . . 0.0 109.333 -173.393 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 7' ' ' CYS . . . . . 0.653 ' SG ' ' SG ' ' A' ' 13' ' ' CYS . 6.0 p -156.32 154.97 31.45 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.521 1.138 . . . . 0.0 108.313 -177.744 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 93.2 p -97.89 -27.69 14.16 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.415 1.072 . . . . 0.0 109.979 171.876 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 4.0 mm-40 -149.72 161.7 41.71 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.568 1.168 . . . . 0.0 110.327 -162.028 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 29.8 m -77.03 -35.68 56.76 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.466 1.104 . . . . 0.0 109.992 -164.073 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 19.1 p90 -70.19 -10.9 60.28 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.452 1.095 . . . . 0.0 110.989 -173.965 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 62.4 mt-30 -75.7 -36.58 59.97 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.553 1.158 . . . . 0.0 110.314 172.016 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 13' ' ' CYS . . . . . 0.653 ' SG ' ' SG ' ' A' ' 7' ' ' CYS . 80.8 m -85.52 -39.9 16.93 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.533 1.146 . . . . 0.0 108.31 -169.865 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 14' ' ' PHE . . . . . 0.602 ' N ' ' CD ' ' A' ' 15' ' ' PRO . 0.1 OUTLIER -57.4 -45.28 99.9 Favored Pre-proline 0 C--N 1.324 -0.522 0 O-C-N 124.472 1.108 . . . . 0.0 111.034 -161.317 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 15' ' ' PRO . . . . . 0.602 ' CD ' ' N ' ' A' ' 14' ' ' PHE . 18.5 Cg_endo -74.98 -29.7 7.98 Favored 'Trans proline' 0 C--N 1.36 1.139 0 O-C-N 124.562 1.822 . . . . 0.0 111.013 -178.166 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 1.0 OUTLIER -67.78 -36.04 74.54 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.488 1.118 . . . . 0.0 109.255 178.311 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 63.4 m -74.51 -44.96 48.86 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.536 1.148 . . . . 0.0 108.285 -179.405 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 1.1 tmtp? -64.07 -36.06 82.78 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.483 1.114 . . . . 0.0 109.244 -176.045 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 42.2 t -78.6 -62.15 1.78 Allowed 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.531 1.144 . . . . 0.0 109.97 -177.309 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 4.3 tmt_? -83.15 -46.65 12.5 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.592 1.182 . . . . 0.0 110.28 -161.167 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 69.8 m-85 -89.8 -21.71 22.48 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.531 1.144 . . . . 0.0 110.989 -175.584 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 78.65 28.27 55.37 Favored Glycine 0 CA--C 1.53 0.989 0 O-C-N 124.5 1.125 . . . . 0.0 111.028 173.328 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 2.3 mtpp -90.01 173.98 7.91 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.453 0.737 . . . . 0.0 109.271 -178.027 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 1.4 p -74.84 -37.29 62.28 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.497 1.123 . . . . 0.0 110.409 -178.168 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 6.0 t-20 -163.36 167.66 21.45 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.478 1.111 . . . . 0.0 109.297 -174.881 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -154.13 154.56 25.59 Favored Glycine 0 CA--C 1.529 0.934 0 O-C-N 124.48 1.112 . . . . 0.0 111.057 173.318 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 52.1 mtp180 -143.17 163.7 32.19 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.497 0.763 . . . . 0.0 110.313 179.914 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 9.0 t -90.84 105.47 17.85 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.469 1.106 . . . . 0.0 108.316 -173.487 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 90.4 t -101.37 112.76 35.44 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.488 1.118 . . . . 0.0 109.291 179.872 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 35.0 m-20 58.29 35.97 25.28 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.521 1.138 . . . . 0.0 109.314 173.207 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . 85.43 8.72 80.48 Favored Glycine 0 CA--C 1.531 1.048 0 O-C-N 124.513 1.133 . . . . 0.0 111.043 170.249 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 32' ' ' PHE . . . . . . . . . . . . . 72.0 m-85 -139.39 144.5 38.18 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.562 0.801 . . . . 0.0 110.959 178.636 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 33' ' ' CYS . . . . . . . . . . . . . 96.5 m -72.42 138.28 47.03 Favored 'General case' 0 C--N 1.324 -0.535 0 O-C-N 124.535 1.147 . . . . 0.0 108.229 -168.162 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 11.0 t70 -129.56 128.49 42.86 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.424 1.078 . . . . 0.0 109.277 170.168 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 35' ' ' CYS . . . . . . . . . . . . . 32.4 m -101.58 147.02 26.9 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.466 1.104 . . . . 0.0 108.277 -176.31 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 36' ' ' PHE . . . . . . . . . . . . . 50.9 p90 . . . . . 0 C--N 1.324 -0.505 0 O-C-N 124.543 1.152 . . . . 0.0 111.041 175.779 . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo . . . . . 0 N--CA 1.451 -0.973 0 N-CA-C 111.033 -0.411 . . . . 0.0 111.033 . . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 31.8 p -124.99 -164.67 1.3 Allowed 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.374 1.046 . . . . 0.0 110.417 176.254 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 13.2 p-10 -102.58 -4.75 24.77 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.454 1.096 . . . . 0.0 109.336 -174.345 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 5' ' ' ILE . . . . . . . . . . . . . 78.5 mt -78.14 110.1 13.49 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.465 1.103 . . . . 0.0 109.361 -171.987 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 57.7 pttt -70.49 155.18 41.05 Favored 'General case' 0 C--N 1.324 -0.54 0 O-C-N 124.563 1.164 . . . . 0.0 109.247 178.174 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 7' ' ' CYS . . . . . 0.68 ' SG ' ' SG ' ' A' ' 13' ' ' CYS . 5.7 p -161.57 155.07 21.43 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.445 1.09 . . . . 0.0 108.32 -176.83 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 93.3 p -101.38 -21.94 14.7 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.446 1.091 . . . . 0.0 110.02 174.21 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -151.55 158.8 44.04 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.456 1.098 . . . . 0.0 110.254 -165.459 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 63.3 m -80.41 -32.89 37.35 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.529 1.143 . . . . 0.0 110.0 -164.257 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 13.1 p90 -71.33 -9.83 58.77 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.437 1.085 . . . . 0.0 111.002 -177.175 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 66.0 mt-30 -75.24 -37.15 61.16 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.522 1.139 . . . . 0.0 110.301 170.77 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 13' ' ' CYS . . . . . 0.68 ' SG ' ' SG ' ' A' ' 7' ' ' CYS . 71.4 m -85.63 -40.15 16.53 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.501 1.126 . . . . 0.0 108.324 -168.517 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 14' ' ' PHE . . . . . 0.597 ' N ' ' CD ' ' A' ' 15' ' ' PRO . 0.1 OUTLIER -58.76 -44.5 99.05 Favored Pre-proline 0 C--N 1.325 -0.473 0 O-C-N 124.452 1.095 . . . . 0.0 111.038 -161.749 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 15' ' ' PRO . . . . . 0.597 ' CD ' ' N ' ' A' ' 14' ' ' PHE . 18.5 Cg_endo -75.01 -29.75 7.89 Favored 'Trans proline' 0 C--N 1.361 1.219 0 O-C-N 124.517 1.799 . . . . 0.0 111.018 -179.701 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 1.1 t -67.64 -35.45 72.94 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.518 0 O-C-N 124.482 1.114 . . . . 0.0 109.271 178.951 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 70.3 m -73.27 -43.24 61.41 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.479 1.112 . . . . 0.0 108.236 -179.602 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 13.9 ttmt -68.0 -32.49 72.93 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.556 1.16 . . . . 0.0 109.327 -176.055 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 41.0 t -78.75 -64.34 1.2 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.484 1.115 . . . . 0.0 110.045 -178.026 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -85.09 -38.04 19.57 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.505 1.128 . . . . 0.0 110.312 -159.412 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 82.1 m-85 -98.35 -25.74 14.73 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.474 1.109 . . . . 0.0 110.97 -176.47 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 80.71 27.72 49.72 Favored Glycine 0 CA--C 1.53 0.971 0 O-C-N 124.527 1.142 . . . . 0.0 111.063 174.49 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 2.2 mtpp -90.28 168.73 11.69 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.456 0.739 . . . . 0.0 109.249 -176.609 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 1.9 p -76.47 -31.22 57.66 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.505 1.128 . . . . 0.0 110.425 -170.694 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 55.9 t30 -163.82 162.04 23.51 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.479 1.112 . . . . 0.0 109.26 -177.056 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -142.31 162.35 27.24 Favored Glycine 0 CA--C 1.53 1.031 0 O-C-N 124.474 1.109 . . . . 0.0 110.998 175.471 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 2.2 tpt180 -154.64 144.98 22.05 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.576 0.81 . . . . 0.0 110.291 -178.755 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 13.5 t -83.78 99.02 10.02 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.485 1.115 . . . . 0.0 108.247 -177.13 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 81.1 t -94.97 110.0 23.22 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.39 1.056 . . . . 0.0 109.336 -178.291 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 32.2 m120 53.51 42.59 31.92 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.557 1.161 . . . . 0.0 109.395 175.344 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . 86.45 7.94 78.42 Favored Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.458 1.099 . . . . 0.0 111.011 166.097 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 32' ' ' PHE . . . . . . . . . . . . . 43.7 m-85 -140.07 144.38 36.81 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.556 0.797 . . . . 0.0 111.077 177.659 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 33' ' ' CYS . . . . . . . . . . . . . 83.8 m -72.66 142.86 48.28 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.524 1.14 . . . . 0.0 108.29 -168.578 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 11.5 t70 -133.11 125.32 29.29 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.531 1.144 . . . . 0.0 109.301 172.873 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 35' ' ' CYS . . . . . . . . . . . . . 58.6 m -108.08 139.36 42.85 Favored 'General case' 0 C--N 1.324 -0.536 0 O-C-N 124.565 1.165 . . . . 0.0 108.348 -172.364 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 36' ' ' PHE . . . . . . . . . . . . . 31.3 p90 . . . . . 0 C--N 1.324 -0.523 0 O-C-N 124.478 1.111 . . . . 0.0 111.087 -179.407 . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo . . . . . 0 N--CA 1.452 -0.929 0 N-CA-C 110.983 -0.429 . . . . 0.0 110.983 . . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 16.3 p -131.16 -161.34 1.12 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.495 1.122 . . . . 0.0 110.39 172.275 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 4.7 p-10 -124.79 20.08 8.51 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.522 1.139 . . . . 0.0 109.267 177.335 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 5' ' ' ILE . . . . . . . . . . . . . 83.5 mt -87.28 113.79 25.29 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.588 1.18 . . . . 0.0 109.378 177.038 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 58.3 tttm -75.64 144.94 41.42 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.492 1.12 . . . . 0.0 109.272 -178.696 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 7' ' ' CYS . . . . . 0.637 ' SG ' ' SG ' ' A' ' 13' ' ' CYS . 5.2 p -151.9 153.6 34.47 Favored 'General case' 0 C--N 1.324 -0.54 0 O-C-N 124.549 1.155 . . . . 0.0 108.335 -176.819 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 60.6 p -97.7 -26.26 14.81 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.459 1.099 . . . . 0.0 110.036 172.693 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 4.0 mp0 -149.57 163.97 36.4 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.502 1.126 . . . . 0.0 110.286 -169.694 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 67.4 m -80.29 -31.91 38.19 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.554 1.159 . . . . 0.0 110.063 -163.33 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 16.9 p90 -70.42 -11.34 60.85 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.468 1.105 . . . . 0.0 111.002 -176.633 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 78.5 mt-30 -76.18 -32.34 58.98 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.447 1.092 . . . . 0.0 110.39 172.621 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 13' ' ' CYS . . . . . 0.637 ' SG ' ' SG ' ' A' ' 7' ' ' CYS . 71.6 m -85.38 -40.06 16.9 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.509 1.13 . . . . 0.0 108.282 -169.648 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 14' ' ' PHE . . . . . 0.6 ' N ' ' CD ' ' A' ' 15' ' ' PRO . 0.1 OUTLIER -58.22 -44.82 99.59 Favored Pre-proline 0 C--N 1.325 -0.495 0 O-C-N 124.488 1.117 . . . . 0.0 111.032 -161.711 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 15' ' ' PRO . . . . . 0.6 ' CD ' ' N ' ' A' ' 14' ' ' PHE . 18.0 Cg_endo -75.04 -29.84 7.75 Favored 'Trans proline' 0 C--N 1.36 1.161 0 O-C-N 124.506 1.793 . . . . 0.0 110.96 -179.29 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 1.1 t -67.9 -35.58 72.64 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.479 1.112 . . . . 0.0 109.299 178.948 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 99.2 m -75.01 -41.6 59.13 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.551 1.157 . . . . 0.0 108.311 -178.737 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 86.7 tttt -66.88 -33.77 76.33 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.538 1.149 . . . . 0.0 109.26 -177.683 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 41.5 t -77.38 -59.12 2.91 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.553 1.158 . . . . 0.0 109.961 -178.308 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 4.4 tmt_? -84.41 -50.33 7.88 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.553 1.158 . . . . 0.0 110.333 -161.758 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 66.0 m-85 -88.39 -24.5 23.06 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.501 1.125 . . . . 0.0 110.925 -175.519 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 79.6 26.85 55.86 Favored Glycine 0 CA--C 1.53 0.973 0 O-C-N 124.497 1.123 . . . . 0.0 111.001 179.472 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 25.2 mmtt -88.05 169.8 11.64 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.453 0.737 . . . . 0.0 109.322 -176.755 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 1.4 p -74.92 -37.18 62.11 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.557 1.16 . . . . 0.0 110.412 -174.929 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 5.9 t-20 -162.34 166.62 25.0 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.516 1.135 . . . . 0.0 109.215 -173.268 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -146.81 162.76 28.57 Favored Glycine 0 CA--C 1.531 1.036 0 O-C-N 124.506 1.128 . . . . 0.0 111.024 176.77 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 56.0 ttp180 -150.48 144.05 25.13 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.524 0.779 . . . . 0.0 110.326 -177.543 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 6.9 t -81.95 99.37 9.06 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.536 1.148 . . . . 0.0 108.287 -176.281 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 73.1 t -94.9 109.98 23.16 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.444 0 O-C-N 124.474 1.108 . . . . 0.0 109.264 -179.658 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 31.7 m120 53.46 41.99 32.03 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.428 1.08 . . . . 0.0 109.317 176.41 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . 87.81 4.98 78.47 Favored Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.476 1.11 . . . . 0.0 110.998 166.289 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 32' ' ' PHE . . . . . . . . . . . . . 29.7 m-85 -140.14 145.71 37.9 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.507 0.769 . . . . 0.0 110.997 179.479 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 33' ' ' CYS . . . . . . . . . . . . . 75.2 m -74.71 141.54 44.49 Favored 'General case' 0 C--N 1.326 -0.421 0 O-C-N 124.51 1.132 . . . . 0.0 108.323 -165.433 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 10.2 t70 -128.41 128.12 43.86 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.453 1.095 . . . . 0.0 109.323 168.083 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 35' ' ' CYS . . . . . . . . . . . . . 58.7 m -106.65 139.85 40.45 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.517 1.135 . . . . 0.0 108.281 -171.604 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 36' ' ' PHE . . . . . . . . . . . . . 31.3 p90 . . . . . 0 C--N 1.324 -0.506 0 O-C-N 124.408 1.067 . . . . 0.0 111.064 -178.939 . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo . . . . . 0 N--CA 1.452 -0.915 0 N-CA-C 111.05 -0.404 . . . . 0.0 111.05 . . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 51.0 p -126.41 -162.36 1.13 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.501 1.126 . . . . 0.0 110.319 178.29 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 17.0 p-10 -109.12 -2.1 18.32 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.528 1.143 . . . . 0.0 109.331 175.998 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 5' ' ' ILE . . . . . . . . . . . . . 75.5 mt -74.88 117.23 18.74 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.503 1.127 . . . . 0.0 109.26 -175.128 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 51.9 tttm -80.03 146.91 31.72 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.437 1.086 . . . . 0.0 109.302 -177.661 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 7' ' ' CYS . . . . . 0.615 ' SG ' ' SG ' ' A' ' 13' ' ' CYS . 8.4 p -153.77 157.5 39.51 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.528 1.143 . . . . 0.0 108.296 -178.401 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 92.3 p -96.93 -27.75 14.51 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.5 1.125 . . . . 0.0 110.086 169.797 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 30.6 mm-40 -149.18 161.18 42.5 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.487 1.117 . . . . 0.0 110.3 -162.507 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 58.1 m -79.4 -33.7 42.49 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.444 1.09 . . . . 0.0 110.05 -163.88 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 18.1 p90 -70.74 -11.43 60.95 Favored 'General case' 0 C--N 1.326 -0.43 0 O-C-N 124.468 1.105 . . . . 0.0 110.969 -176.385 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 74.6 mt-30 -75.97 -32.66 59.6 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.425 1.078 . . . . 0.0 110.322 173.265 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 13' ' ' CYS . . . . . 0.615 ' SG ' ' SG ' ' A' ' 7' ' ' CYS . 77.5 m -85.73 -34.19 21.28 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.49 1.119 . . . . 0.0 108.254 -170.157 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 14' ' ' PHE . . . . . 0.588 ' N ' ' CD ' ' A' ' 15' ' ' PRO . 0.1 OUTLIER -58.33 -45.12 99.73 Favored Pre-proline 0 C--N 1.325 -0.5 0 O-C-N 124.554 1.159 . . . . 0.0 111.05 -162.915 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 15' ' ' PRO . . . . . 0.588 ' CD ' ' N ' ' A' ' 14' ' ' PHE . 18.2 Cg_endo -75.0 -32.96 4.95 Favored 'Trans proline' 0 C--N 1.361 1.185 0 O-C-N 124.489 1.784 . . . . 0.0 110.996 179.735 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 0.9 OUTLIER -60.15 -40.36 83.23 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.548 1.155 . . . . 0.0 109.336 176.206 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 68.9 m -75.22 -40.72 58.85 Favored 'General case' 0 C--N 1.326 -0.426 0 O-C-N 124.394 1.059 . . . . 0.0 108.362 -174.354 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 14.7 tmtt? -68.99 -33.16 73.22 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.537 1.148 . . . . 0.0 109.355 -176.949 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 41.7 t -77.71 -57.2 3.94 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.531 1.144 . . . . 0.0 109.98 -177.405 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 41.2 ttm180 -82.59 -53.95 5.55 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.48 1.113 . . . . 0.0 110.284 -164.034 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 90.7 m-85 -94.25 -17.34 22.76 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.481 1.113 . . . . 0.0 110.972 -171.772 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 77.41 27.65 59.13 Favored Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.529 1.143 . . . . 0.0 111.08 173.905 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 2.9 mtpp -86.73 171.18 11.12 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.52 0.776 . . . . 0.0 109.252 -178.697 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 1.3 p -74.96 -37.56 61.92 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.55 1.156 . . . . 0.0 110.336 -175.514 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 30.5 t-20 -163.12 165.62 24.4 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.474 1.109 . . . . 0.0 109.323 -171.937 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -143.33 162.19 27.61 Favored Glycine 0 CA--C 1.53 0.983 0 O-C-N 124.524 1.14 . . . . 0.0 110.976 176.797 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 9.7 ptp180 -149.4 158.47 44.2 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.454 0.738 . . . . 0.0 110.272 177.039 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 4.7 t -94.32 105.66 17.64 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.554 1.159 . . . . 0.0 108.277 -172.586 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 94.8 t -96.88 109.93 23.99 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.502 1.126 . . . . 0.0 109.313 177.856 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 35.5 m-20 57.85 35.62 25.59 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.42 1.075 . . . . 0.0 109.246 171.837 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . 88.34 8.76 70.78 Favored Glycine 0 CA--C 1.53 1.029 0 O-C-N 124.494 1.121 . . . . 0.0 110.997 169.694 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 32' ' ' PHE . . . . . . . . . . . . . 49.8 m-85 -139.99 146.06 38.62 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.511 0.771 . . . . 0.0 111.021 177.624 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 33' ' ' CYS . . . . . . . . . . . . . 89.1 m -74.31 147.63 42.11 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.508 1.13 . . . . 0.0 108.325 -163.894 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 13.7 t0 -138.51 127.62 24.14 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.534 1.146 . . . . 0.0 109.315 169.758 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 35' ' ' CYS . . . . . . . . . . . . . 56.1 m -101.43 146.14 28.02 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.45 1.093 . . . . 0.0 108.346 -172.043 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 36' ' ' PHE . . . . . . . . . . . . . 45.6 p90 . . . . . 0 C--N 1.324 -0.53 0 O-C-N 124.544 1.152 . . . . 0.0 111.022 177.04 . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo . . . . . 0 N--CA 1.453 -0.864 0 N-CA-C 110.986 -0.429 . . . . 0.0 110.986 . . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 20.3 p -132.47 -163.9 1.4 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.513 1.133 . . . . 0.0 110.361 175.624 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 39.2 p-10 -114.61 9.33 16.53 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.456 1.097 . . . . 0.0 109.237 -177.606 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 5' ' ' ILE . . . . . . . . . . . . . 83.3 mt -84.48 119.05 32.77 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.528 0 O-C-N 124.511 1.132 . . . . 0.0 109.301 -178.956 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 52.8 mtpt -78.22 151.46 33.12 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.533 1.146 . . . . 0.0 109.348 -177.379 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 7' ' ' CYS . . . . . 0.482 ' SG ' ' SG ' ' A' ' 13' ' ' CYS . 6.8 p -159.1 157.61 31.35 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.487 1.117 . . . . 0.0 108.305 -178.827 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 92.3 p -97.49 -28.34 14.02 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.474 1.109 . . . . 0.0 110.048 169.05 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 31.0 mm-40 -149.23 160.67 43.17 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.52 1.137 . . . . 0.0 110.342 -163.699 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 31.9 m -80.08 -32.9 39.25 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.505 1.128 . . . . 0.0 110.041 -163.321 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 17.1 p90 -70.14 -11.97 61.27 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.499 1.125 . . . . 0.0 111.042 -176.795 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 74.7 mt-30 -74.4 -33.88 63.14 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.558 1.161 . . . . 0.0 110.279 173.203 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 13' ' ' CYS . . . . . 0.482 ' SG ' ' SG ' ' A' ' 7' ' ' CYS . 64.7 m -85.7 -34.76 21.19 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.46 1.1 . . . . 0.0 108.287 -169.401 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 14' ' ' PHE . . . . . 0.586 ' N ' ' CD ' ' A' ' 15' ' ' PRO . 0.1 OUTLIER -58.24 -44.81 99.58 Favored Pre-proline 0 C--N 1.325 -0.477 0 O-C-N 124.506 1.129 . . . . 0.0 111.022 -162.214 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 15' ' ' PRO . . . . . 0.586 ' CD ' ' N ' ' A' ' 14' ' ' PHE . 18.6 Cg_endo -74.98 -33.78 4.34 Favored 'Trans proline' 0 C--N 1.359 1.118 0 O-C-N 124.547 1.814 . . . . 0.0 111.0 178.991 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 0.9 OUTLIER -59.99 -40.06 81.99 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.506 1.129 . . . . 0.0 109.291 177.29 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 88.1 m -75.11 -39.47 60.62 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.488 1.118 . . . . 0.0 108.313 -172.92 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 37.8 ttpt -70.01 -34.18 72.96 Favored 'General case' 0 C--N 1.327 -0.403 0 O-C-N 124.525 1.141 . . . . 0.0 109.332 -177.919 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 43.4 t -75.03 -50.95 14.83 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.518 1.136 . . . . 0.0 110.008 -178.137 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 25.4 tpt180 -83.1 -60.93 2.0 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.505 1.128 . . . . 0.0 110.315 -165.124 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 40.5 m-85 -99.61 -14.06 19.13 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.461 1.1 . . . . 0.0 111.011 -168.692 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 78.05 43.25 14.17 Favored Glycine 0 CA--C 1.53 0.986 0 O-C-N 124.44 1.087 . . . . 0.0 111.035 175.339 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 4.2 mptp? -101.79 160.41 14.49 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.495 0.762 . . . . 0.0 109.333 179.037 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 9.0 p -76.61 -36.44 57.47 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.507 1.129 . . . . 0.0 110.421 -170.42 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 58.7 t30 -156.74 158.39 36.8 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.504 1.127 . . . . 0.0 109.361 -177.324 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -142.73 148.21 19.88 Favored Glycine 0 CA--C 1.53 0.991 0 O-C-N 124.46 1.1 . . . . 0.0 110.958 177.117 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 99.8 mtt180 -135.17 149.64 49.99 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.517 0.775 . . . . 0.0 110.295 -177.572 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 8.5 t -88.46 98.47 11.65 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.48 1.113 . . . . 0.0 108.279 -173.025 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 99.6 t -95.04 110.67 24.33 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.503 1.127 . . . . 0.0 109.302 -179.884 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 35.7 m-20 58.38 37.02 25.85 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.506 1.128 . . . . 0.0 109.27 172.022 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . 85.17 11.01 76.91 Favored Glycine 0 CA--C 1.529 0.96 0 O-C-N 124.542 1.151 . . . . 0.0 110.995 170.186 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 32' ' ' PHE . . . . . . . . . . . . . 33.2 m-85 -137.17 146.05 44.48 Favored 'General case' 0 C--N 1.324 -0.537 0 O-C-N 124.437 0.728 . . . . 0.0 110.998 176.848 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 33' ' ' CYS . . . . . . . . . . . . . 96.1 m -73.39 138.82 45.52 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.453 1.095 . . . . 0.0 108.309 -171.968 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 9.8 t70 -126.99 122.28 34.06 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.509 1.131 . . . . 0.0 109.282 170.536 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 35' ' ' CYS . . . . . . . . . . . . . 72.0 m -107.95 139.85 41.95 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.508 1.13 . . . . 0.0 108.321 -168.478 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 36' ' ' PHE . . . . . . . . . . . . . 45.9 p90 . . . . . 0 C--N 1.324 -0.504 0 O-C-N 124.578 1.174 . . . . 0.0 110.988 179.784 . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo . . . . . 0 N--CA 1.452 -0.919 0 N-CA-C 111.049 -0.404 . . . . 0.0 111.049 . . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 25.9 p -123.47 -162.14 1.02 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.513 1.133 . . . . 0.0 110.378 -179.571 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 6.7 p-10 -122.33 16.08 10.56 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.476 1.11 . . . . 0.0 109.282 -178.152 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 5' ' ' ILE . . . . . . . . . . . . . 85.5 mt -80.53 114.56 21.64 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.508 1.13 . . . . 0.0 109.314 178.002 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 84.8 tttt -73.01 144.72 47.08 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.548 1.155 . . . . 0.0 109.284 -173.156 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 7' ' ' CYS . . . . . 0.457 ' SG ' ' SG ' ' A' ' 13' ' ' CYS . 6.1 p -154.21 153.06 31.11 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.526 1.141 . . . . 0.0 108.282 -178.218 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 20.7 p -93.99 -31.44 14.25 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.456 1.097 . . . . 0.0 110.011 170.515 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 47.1 mt-10 -149.47 163.15 38.61 Favored 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.568 1.167 . . . . 0.0 110.304 -163.686 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 56.0 m -79.93 -35.87 37.16 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.519 1.137 . . . . 0.0 110.056 -159.903 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 23.4 p90 -73.14 -6.18 44.01 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.518 1.136 . . . . 0.0 111.008 -175.303 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 91.4 mt-30 -76.07 -33.95 59.56 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.567 1.167 . . . . 0.0 110.294 170.882 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 13' ' ' CYS . . . . . 0.457 ' SG ' ' SG ' ' A' ' 7' ' ' CYS . 72.3 m -85.74 -35.33 20.86 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.525 1.141 . . . . 0.0 108.28 -170.783 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 14' ' ' PHE . . . . . 0.591 ' N ' ' CD ' ' A' ' 15' ' ' PRO . 0.1 OUTLIER -58.77 -44.82 99.44 Favored Pre-proline 0 C--N 1.325 -0.47 0 O-C-N 124.505 1.128 . . . . 0.0 111.032 -162.683 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 15' ' ' PRO . . . . . 0.591 ' CD ' ' N ' ' A' ' 14' ' ' PHE . 18.3 Cg_endo -74.97 -30.03 7.66 Favored 'Trans proline' 0 C--N 1.36 1.158 0 O-C-N 124.494 1.786 . . . . 0.0 110.99 179.834 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 0.9 OUTLIER -64.1 -38.11 81.59 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.435 1.084 . . . . 0.0 109.316 176.611 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 91.6 m -74.99 -42.85 56.72 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.452 1.095 . . . . 0.0 108.301 -176.942 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 37.4 ttpt -61.88 -39.67 92.72 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.455 1.097 . . . . 0.0 109.345 -179.05 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 40.3 t -74.54 -63.2 1.29 Allowed 'General case' 0 C--N 1.326 -0.423 0 O-C-N 124.456 1.097 . . . . 0.0 110.012 -175.917 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 4.4 tmt_? -85.12 -46.96 10.63 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.434 1.084 . . . . 0.0 110.371 -162.083 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 68.5 m-85 -90.3 -21.41 22.07 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.462 1.101 . . . . 0.0 110.979 -172.42 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 73.67 36.47 53.56 Favored Glycine 0 CA--C 1.529 0.968 0 O-C-N 124.468 1.105 . . . . 0.0 111.044 178.678 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -102.19 165.7 11.0 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.48 0.753 . . . . 0.0 109.249 -177.898 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 7.5 p -77.6 -37.49 50.21 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.5 1.125 . . . . 0.0 110.4 -171.022 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 52.2 t30 -157.75 158.97 36.31 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.474 1.109 . . . . 0.0 109.251 -177.063 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -144.4 148.64 20.5 Favored Glycine 0 CA--C 1.529 0.938 0 O-C-N 124.448 1.093 . . . . 0.0 111.025 178.073 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 99.7 mtt180 -139.1 156.67 46.98 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.477 0.751 . . . . 0.0 110.311 -178.455 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 11.1 t -91.25 101.56 14.28 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.552 1.158 . . . . 0.0 108.28 -173.149 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 88.1 t -96.06 109.85 23.47 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.444 0 O-C-N 124.501 1.126 . . . . 0.0 109.265 -178.389 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 32.2 m120 53.48 41.7 32.07 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.476 1.11 . . . . 0.0 109.267 175.304 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . 85.69 7.68 81.24 Favored Glycine 0 CA--C 1.529 0.95 0 O-C-N 124.483 1.114 . . . . 0.0 111.041 167.485 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 32' ' ' PHE . . . . . . . . . . . . . 67.6 m-85 -139.34 143.18 37.69 Favored 'General case' 0 C--N 1.327 -0.411 0 O-C-N 124.429 0.723 . . . . 0.0 110.988 178.301 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 33' ' ' CYS . . . . . . . . . . . . . 91.8 m -70.65 144.71 51.0 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.532 1.145 . . . . 0.0 108.303 -167.837 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 10.3 t70 -132.45 126.26 32.63 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.471 1.107 . . . . 0.0 109.316 168.594 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 35' ' ' CYS . . . . . . . . . . . . . 65.9 m -102.38 142.31 33.8 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.53 1.144 . . . . 0.0 108.257 -174.913 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 36' ' ' PHE . . . . . . . . . . . . . 50.4 p90 . . . . . 0 C--N 1.326 -0.451 0 O-C-N 124.551 1.157 . . . . 0.0 110.994 176.726 . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo . . . . . 0 N--CA 1.453 -0.858 0 N-CA-C 110.996 -0.425 . . . . 0.0 110.996 . . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 29.1 p -133.17 -165.27 1.59 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.622 1.201 . . . . 0.0 110.412 179.61 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 12.0 p-10 -101.94 -5.64 24.43 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.481 1.113 . . . . 0.0 109.351 -174.957 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 5' ' ' ILE . . . . . . . . . . . . . 82.2 mt -80.35 118.68 28.42 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.443 0 O-C-N 124.485 1.115 . . . . 0.0 109.333 -172.954 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 27.7 mtpp -79.66 153.21 29.51 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.546 1.154 . . . . 0.0 109.298 -179.107 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 7' ' ' CYS . . . . . 0.668 ' SG ' ' SG ' ' A' ' 13' ' ' CYS . 4.7 p -157.17 155.39 30.85 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.495 1.122 . . . . 0.0 108.297 -178.608 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 97.5 p -95.36 -28.14 15.1 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.494 1.121 . . . . 0.0 110.106 171.058 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 1.5 mp0 -149.33 161.26 42.41 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.516 1.135 . . . . 0.0 110.328 -163.317 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 74.3 m -80.01 -33.66 39.1 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.605 1.191 . . . . 0.0 110.039 -163.49 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 15.6 p90 -70.27 -11.25 60.77 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.554 1.159 . . . . 0.0 111.013 -176.523 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 74.8 mt-30 -75.02 -35.99 61.94 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.47 1.106 . . . . 0.0 110.343 173.322 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 13' ' ' CYS . . . . . 0.668 ' SG ' ' SG ' ' A' ' 7' ' ' CYS . 76.4 m -85.73 -35.93 20.49 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.488 1.118 . . . . 0.0 108.357 -169.553 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 14' ' ' PHE . . . . . 0.598 ' N ' ' CD ' ' A' ' 15' ' ' PRO . 0.1 OUTLIER -59.07 -44.31 98.54 Favored Pre-proline 0 C--N 1.325 -0.486 0 O-C-N 124.437 1.086 . . . . 0.0 111.019 -161.438 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 15' ' ' PRO . . . . . 0.598 ' CD ' ' N ' ' A' ' 14' ' ' PHE . 18.5 Cg_endo -74.95 -34.02 4.2 Favored 'Trans proline' 0 C--N 1.36 1.164 0 O-C-N 124.47 1.774 . . . . 0.0 111.026 179.116 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 0.9 OUTLIER -58.67 -39.53 76.57 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 O-C-N 124.473 1.108 . . . . 0.0 109.358 175.377 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 91.5 m -75.02 -44.65 46.76 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.52 1.138 . . . . 0.0 108.304 -175.199 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 61.0 tttp -63.89 -37.12 86.24 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.447 1.092 . . . . 0.0 109.302 -176.017 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 42.8 t -78.01 -62.8 1.56 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.478 1.111 . . . . 0.0 110.042 -176.537 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 4.3 tmt_? -85.02 -45.34 12.23 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.457 1.098 . . . . 0.0 110.291 -161.523 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 69.6 m-85 -90.93 -20.59 22.02 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.519 1.137 . . . . 0.0 111.0 -173.136 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 75.38 41.93 29.22 Favored Glycine 0 CA--C 1.53 0.974 0 O-C-N 124.41 1.069 . . . . 0.0 110.952 174.22 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -109.69 169.9 8.41 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.463 0.743 . . . . 0.0 109.275 -177.187 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 9.4 p -78.76 -35.9 43.85 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.545 1.153 . . . . 0.0 110.393 -173.398 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 60.9 t30 -157.26 161.92 39.21 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.482 1.114 . . . . 0.0 109.302 -175.995 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -138.61 161.2 25.75 Favored Glycine 0 CA--C 1.53 0.982 0 O-C-N 124.567 1.167 . . . . 0.0 111.004 175.074 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 55.3 ttm-85 -153.23 143.25 22.2 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.471 0.747 . . . . 0.0 110.319 -178.026 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 9.3 t -86.02 99.07 11.21 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.484 1.115 . . . . 0.0 108.258 -175.75 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 99.0 t -98.19 113.45 32.87 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.529 1.143 . . . . 0.0 109.268 -179.756 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 38.0 m-20 58.31 36.3 25.48 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.479 1.112 . . . . 0.0 109.294 172.603 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . 83.49 11.93 79.2 Favored Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.484 1.115 . . . . 0.0 110.976 170.07 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 32' ' ' PHE . . . . . . . . . . . . . 32.9 m-85 -135.18 147.14 49.3 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.466 0.745 . . . . 0.0 110.968 176.113 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 33' ' ' CYS . . . . . . . . . . . . . 84.3 m -74.79 136.47 41.66 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.557 1.161 . . . . 0.0 108.284 -173.311 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 44.2 t0 -124.93 124.87 42.96 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.429 1.081 . . . . 0.0 109.328 172.697 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 35' ' ' CYS . . . . . . . . . . . . . 70.2 m -109.71 132.64 53.96 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.428 1.08 . . . . 0.0 108.222 -172.027 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 36' ' ' PHE . . . . . . . . . . . . . 38.4 p90 . . . . . 0 C--N 1.325 -0.463 0 O-C-N 124.489 1.118 . . . . 0.0 111.027 -177.089 . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo . . . . . 0 N--CA 1.453 -0.91 0 N-CA-C 110.996 -0.425 . . . . 0.0 110.996 . . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 22.7 p -132.71 -164.77 1.51 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.495 1.122 . . . . 0.0 110.424 174.477 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 12.6 p-10 -104.05 -5.06 22.49 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.545 1.153 . . . . 0.0 109.252 -175.525 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 5' ' ' ILE . . . . . . . . . . . . . 68.3 mt -77.34 120.61 28.15 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.527 0 O-C-N 124.579 1.174 . . . . 0.0 109.318 -171.192 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 1.9 mmpt? -77.19 146.74 36.86 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.47 1.106 . . . . 0.0 109.271 -177.558 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 7' ' ' CYS . . . . . 0.643 ' SG ' ' SG ' ' A' ' 13' ' ' CYS . 7.1 p -156.41 159.02 38.32 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.514 1.134 . . . . 0.0 108.33 178.119 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 88.4 p -102.0 -23.76 14.07 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.436 1.085 . . . . 0.0 110.059 170.966 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -150.71 159.95 44.17 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.471 1.107 . . . . 0.0 110.251 -164.868 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 63.2 m -79.36 -32.96 43.29 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.481 1.113 . . . . 0.0 110.0 -164.073 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 15.5 p90 -72.8 -10.15 59.47 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.535 1.147 . . . . 0.0 110.973 -176.137 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 53.3 mt-30 -74.63 -35.06 62.89 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.525 1.14 . . . . 0.0 110.244 171.018 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 13' ' ' CYS . . . . . 0.643 ' SG ' ' SG ' ' A' ' 7' ' ' CYS . 79.4 m -85.52 -40.03 16.78 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.468 1.105 . . . . 0.0 108.324 -168.239 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 14' ' ' PHE . . . . . 0.585 ' N ' ' CD ' ' A' ' 15' ' ' PRO . 0.1 OUTLIER -57.95 -44.64 99.52 Favored Pre-proline 0 C--N 1.325 -0.47 0 O-C-N 124.511 1.132 . . . . 0.0 111.003 -161.399 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 15' ' ' PRO . . . . . 0.585 ' CD ' ' N ' ' A' ' 14' ' ' PHE . 17.9 Cg_endo -75.09 -30.65 6.81 Favored 'Trans proline' 0 C--N 1.36 1.142 0 O-C-N 124.441 1.759 . . . . 0.0 110.941 179.562 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 1.1 t -68.5 -36.62 75.51 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.502 1.126 . . . . 0.0 109.313 -177.551 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 91.4 m -74.86 -41.93 58.89 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.531 1.144 . . . . 0.0 108.321 -177.086 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 40.3 tttp -70.21 -29.36 66.17 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.542 1.151 . . . . 0.0 109.294 -175.959 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 42.9 t -76.37 -51.84 11.1 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.453 1.095 . . . . 0.0 109.987 177.195 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 1.3 tpm_? -77.96 -60.64 2.29 Favored 'General case' 0 C--N 1.326 -0.426 0 O-C-N 124.474 1.109 . . . . 0.0 110.374 -168.548 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 36.3 m-85 -94.45 -25.19 17.0 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.494 1.121 . . . . 0.0 111.037 -168.944 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 83.88 25.13 46.67 Favored Glycine 0 CA--C 1.529 0.949 0 O-C-N 124.536 1.147 . . . . 0.0 111.029 178.369 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 30.7 mttp -83.54 165.08 19.39 Favored 'General case' 0 C--N 1.326 -0.43 0 O-C-N 124.508 0.769 . . . . 0.0 109.358 176.977 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 1.4 p -74.67 -35.03 62.8 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.53 1.144 . . . . 0.0 110.395 -167.631 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 6.4 t-20 -160.17 165.69 31.12 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.496 1.122 . . . . 0.0 109.331 -176.548 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -158.71 143.73 9.6 Favored Glycine 0 CA--C 1.529 0.959 0 O-C-N 124.501 1.125 . . . . 0.0 110.998 177.442 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 97.5 mtt180 -143.94 156.08 44.29 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.438 0.729 . . . . 0.0 110.353 -171.044 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 5.2 t -90.78 105.98 18.2 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.511 1.132 . . . . 0.0 108.297 -166.281 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 97.0 t -104.4 112.85 39.63 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.505 1.128 . . . . 0.0 109.294 178.216 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 36.3 m-20 58.22 34.56 24.23 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.421 1.076 . . . . 0.0 109.313 173.042 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . 92.89 -3.0 73.25 Favored Glycine 0 CA--C 1.529 0.968 0 O-C-N 124.464 1.102 . . . . 0.0 111.031 168.675 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 32' ' ' PHE . . . . . . . . . . . . . 54.3 m-85 -124.38 144.56 49.97 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.499 0.764 . . . . 0.0 110.975 -179.305 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 33' ' ' CYS . . . . . . . . . . . . . 91.9 m -70.52 140.62 51.87 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.499 1.124 . . . . 0.0 108.314 -174.772 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 12.1 t70 -131.03 109.92 10.85 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.493 1.12 . . . . 0.0 109.273 178.274 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 35' ' ' CYS . . . . . . . . . . . . . 60.2 m -107.05 137.06 45.84 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.471 1.107 . . . . 0.0 108.328 -163.562 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 36' ' ' PHE . . . . . . . . . . . . . 46.8 p90 . . . . . 0 C--N 1.324 -0.51 0 O-C-N 124.604 1.19 . . . . 0.0 110.979 -177.491 . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo . . . . . 0 N--CA 1.454 -0.847 0 N-CA-C 111.028 -0.412 . . . . 0.0 111.028 . . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 31.6 p -126.62 -164.11 1.3 Allowed 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.422 1.076 . . . . 0.0 110.453 172.793 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 36.6 p-10 -108.6 6.28 25.78 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.468 1.105 . . . . 0.0 109.312 -175.863 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 5' ' ' ILE . . . . . . . . . . . . . 74.2 mt -82.42 111.57 19.01 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.535 1.147 . . . . 0.0 109.341 -178.002 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 19.5 ptmt -69.88 153.67 42.98 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.53 1.144 . . . . 0.0 109.355 179.944 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 7' ' ' CYS . . . . . 0.441 ' SG ' ' SG ' ' A' ' 13' ' ' CYS . 8.6 p -160.72 154.73 22.8 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.446 1.092 . . . . 0.0 108.24 -178.191 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 77.6 p -95.37 -29.67 14.32 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.465 1.103 . . . . 0.0 109.978 170.141 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 47.8 mm-40 -149.47 162.19 40.63 Favored 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.556 1.16 . . . . 0.0 110.337 -165.416 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 21.5 m -80.15 -32.81 38.85 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.474 1.109 . . . . 0.0 109.999 -163.732 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 16.0 p90 -69.87 -12.05 61.33 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.5 1.125 . . . . 0.0 111.006 -176.864 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 82.6 mt-30 -75.42 -33.26 60.92 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.505 1.128 . . . . 0.0 110.301 173.633 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 13' ' ' CYS . . . . . 0.441 ' SG ' ' SG ' ' A' ' 7' ' ' CYS . 64.2 m -85.77 -32.91 21.57 Favored 'General case' 0 C--N 1.326 -0.426 0 O-C-N 124.456 1.097 . . . . 0.0 108.316 -170.738 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 14' ' ' PHE . . . . . 0.598 ' N ' ' CD ' ' A' ' 15' ' ' PRO . 0.1 OUTLIER -57.48 -45.26 99.88 Favored Pre-proline 0 C--N 1.325 -0.462 0 O-C-N 124.488 1.117 . . . . 0.0 111.068 -162.08 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 15' ' ' PRO . . . . . 0.598 ' CD ' ' N ' ' A' ' 14' ' ' PHE . 18.6 Cg_endo -74.98 -35.78 2.96 Favored 'Trans proline' 0 C--N 1.36 1.137 0 O-C-N 124.557 1.82 . . . . 0.0 111.025 -179.246 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 0.9 OUTLIER -55.87 -42.95 72.78 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.521 0 O-C-N 124.467 1.105 . . . . 0.0 109.291 174.448 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 96.7 m -75.07 -46.0 37.67 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.484 1.115 . . . . 0.0 108.314 -173.773 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 1.1 tmtp? -63.6 -34.68 78.35 Favored 'General case' 0 C--N 1.326 -0.414 0 O-C-N 124.474 1.108 . . . . 0.0 109.358 -175.37 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 43.2 t -78.24 -65.41 0.98 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.514 1.133 . . . . 0.0 110.015 -176.978 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 3.3 tmm_? -85.07 -40.04 17.27 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.402 1.064 . . . . 0.0 110.276 -159.326 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 74.2 m-85 -92.22 -21.43 20.35 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.462 1.101 . . . . 0.0 111.047 -177.314 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 78.75 26.2 59.1 Favored Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.44 1.087 . . . . 0.0 110.998 174.485 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 18.7 mmtt -85.17 174.55 9.57 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.523 0.778 . . . . 0.0 109.301 -177.352 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 7.3 p -78.1 -43.13 29.9 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.414 1.071 . . . . 0.0 110.457 177.942 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 48.0 t30 -163.02 161.5 25.49 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.486 1.116 . . . . 0.0 109.306 -175.86 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -138.94 169.73 24.31 Favored Glycine 0 CA--C 1.53 0.987 0 O-C-N 124.568 1.168 . . . . 0.0 111.023 177.204 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 12.2 ptm85 -156.88 156.96 34.02 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.497 0.763 . . . . 0.0 110.31 -178.593 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 5.1 t -91.49 109.12 20.41 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.502 1.126 . . . . 0.0 108.327 -173.053 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 90.9 t -102.95 111.81 34.1 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.558 1.161 . . . . 0.0 109.312 176.504 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 37.0 m-20 57.86 36.86 26.73 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.467 1.104 . . . . 0.0 109.219 171.604 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . 85.34 10.88 76.59 Favored Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.529 1.143 . . . . 0.0 110.944 169.592 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 32' ' ' PHE . . . . . . . . . . . . . 44.0 m-85 -140.16 145.63 37.76 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.519 0.776 . . . . 0.0 110.945 176.867 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 33' ' ' CYS . . . . . . . . . . . . . 90.6 m -71.95 147.49 46.93 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.517 1.136 . . . . 0.0 108.284 -166.913 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 11.4 t0 -137.86 121.27 17.11 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.475 1.109 . . . . 0.0 109.277 172.849 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 35' ' ' CYS . . . . . . . . . . . . . 52.7 m -105.99 134.36 49.25 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.532 1.145 . . . . 0.0 108.279 -170.868 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 36' ' ' PHE . . . . . . . . . . . . . 52.6 p90 . . . . . 0 C--N 1.325 -0.5 0 O-C-N 124.461 1.101 . . . . 0.0 111.024 -177.384 . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo . . . . . 0 N--CA 1.452 -0.928 0 N-CA-C 111.021 -0.415 . . . . 0.0 111.021 . . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 32.2 p -123.98 -164.44 1.24 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.557 1.161 . . . . 0.0 110.364 -177.969 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 15.5 p-10 -104.51 -1.32 26.79 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.446 1.091 . . . . 0.0 109.325 -174.843 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 5' ' ' ILE . . . . . . . . . . . . . 82.3 mt -77.37 119.92 26.87 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.437 0 O-C-N 124.436 1.085 . . . . 0.0 109.297 -173.7 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 64.5 mttp -79.37 150.64 31.33 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.451 1.095 . . . . 0.0 109.262 -176.074 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 7' ' ' CYS . . . . . 0.728 ' SG ' ' SG ' ' A' ' 13' ' ' CYS . 5.5 p -158.28 154.99 28.06 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.532 1.145 . . . . 0.0 108.289 179.743 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 88.1 p -99.55 -26.88 13.95 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.492 1.12 . . . . 0.0 109.973 171.83 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 49.2 mt-10 -149.28 161.4 42.12 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.502 1.126 . . . . 0.0 110.298 -165.864 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 57.9 m -80.43 -34.51 36.06 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.483 1.114 . . . . 0.0 109.97 -159.155 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 23.2 p90 -72.65 -7.03 48.32 Favored 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.499 1.124 . . . . 0.0 111.028 -175.778 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 63.0 mt-30 -74.29 -38.68 63.31 Favored 'General case' 0 C--N 1.326 -0.424 0 O-C-N 124.494 1.121 . . . . 0.0 110.279 168.838 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 13' ' ' CYS . . . . . 0.728 ' SG ' ' SG ' ' A' ' 7' ' ' CYS . 76.5 m -85.67 -40.04 16.6 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.592 1.183 . . . . 0.0 108.349 -168.644 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 14' ' ' PHE . . . . . 0.595 ' N ' ' CD ' ' A' ' 15' ' ' PRO . 0.1 OUTLIER -57.82 -44.95 99.8 Favored Pre-proline 0 C--N 1.325 -0.483 0 O-C-N 124.511 1.132 . . . . 0.0 111.042 -161.659 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 15' ' ' PRO . . . . . 0.595 ' CD ' ' N ' ' A' ' 14' ' ' PHE . 18.1 Cg_endo -75.03 -29.61 8.0 Favored 'Trans proline' 0 C--N 1.36 1.148 0 O-C-N 124.406 1.74 . . . . 0.0 110.969 -178.811 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 1.0 OUTLIER -68.08 -35.59 72.21 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.525 0 O-C-N 124.459 1.099 . . . . 0.0 109.248 178.667 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 69.0 m -72.87 -45.54 57.71 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.534 1.146 . . . . 0.0 108.368 179.576 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 14.8 tmtt? -65.15 -35.25 80.5 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.523 1.139 . . . . 0.0 109.29 -175.39 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 43.4 t -79.27 -61.5 1.99 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.585 1.178 . . . . 0.0 110.007 -176.97 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 4.4 tmt_? -83.43 -46.22 12.76 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.484 1.115 . . . . 0.0 110.333 -161.593 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 75.2 m-85 -90.76 -21.6 21.47 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.528 1.142 . . . . 0.0 110.974 -175.922 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 80.47 25.12 57.56 Favored Glycine 0 CA--C 1.531 1.051 0 O-C-N 124.503 1.127 . . . . 0.0 111.033 172.195 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 2.4 mtpt -87.32 174.39 8.59 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.6 0.823 . . . . 0.0 109.276 -177.154 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 1.3 p -74.89 -38.2 61.92 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.522 1.139 . . . . 0.0 110.365 -177.242 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 5.3 t-20 -163.31 166.98 22.45 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.458 1.099 . . . . 0.0 109.336 -173.05 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -147.7 163.77 28.8 Favored Glycine 0 CA--C 1.531 1.071 0 O-C-N 124.514 1.134 . . . . 0.0 111.014 176.612 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 74.5 ttt180 -153.85 145.81 23.58 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.515 0.774 . . . . 0.0 110.267 -177.677 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 12.5 t -83.77 102.01 12.0 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.583 1.177 . . . . 0.0 108.356 -177.308 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 96.0 t -97.97 111.0 26.71 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.493 1.121 . . . . 0.0 109.287 179.549 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 37.5 m-20 58.35 37.25 25.91 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.477 1.11 . . . . 0.0 109.349 170.981 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . 87.27 8.52 74.7 Favored Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.546 1.154 . . . . 0.0 110.96 169.14 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 32' ' ' PHE . . . . . . . . . . . . . 45.7 m-85 -136.65 145.59 44.98 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.546 0.792 . . . . 0.0 110.942 177.366 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 33' ' ' CYS . . . . . . . . . . . . . 94.0 m -72.76 140.07 47.51 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.48 1.113 . . . . 0.0 108.302 -172.577 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 10.5 t70 -132.56 126.62 33.24 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.474 1.109 . . . . 0.0 109.35 172.204 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 35' ' ' CYS . . . . . . . . . . . . . 38.6 m -104.52 144.37 31.77 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.519 1.137 . . . . 0.0 108.302 -174.645 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 36' ' ' PHE . . . . . . . . . . . . . 30.9 p90 . . . . . 0 C--N 1.325 -0.475 0 O-C-N 124.476 1.11 . . . . 0.0 110.998 177.671 . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo . . . . . 0 N--CA 1.453 -0.882 0 N-CA-C 111.032 -0.411 . . . . 0.0 111.032 . . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 33.7 p -133.06 -165.37 1.6 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.483 1.115 . . . . 0.0 110.389 -174.259 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 8.3 p-10 -97.82 -8.6 28.07 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.494 1.121 . . . . 0.0 109.359 -174.976 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 5' ' ' ILE . . . . . . . . . . . . . 68.2 mt -81.73 117.36 27.59 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.501 1.126 . . . . 0.0 109.297 -168.087 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 55.6 tttm -80.09 145.07 32.61 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.421 1.075 . . . . 0.0 109.237 176.315 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 7' ' ' CYS . . . . . 0.545 ' SG ' ' SG ' ' A' ' 13' ' ' CYS . 8.6 p -152.01 158.4 43.02 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.507 1.129 . . . . 0.0 108.314 -177.261 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 88.1 p -102.37 -21.29 14.31 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.494 1.121 . . . . 0.0 110.059 172.54 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -152.7 161.28 42.77 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.516 1.135 . . . . 0.0 110.242 -168.737 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 66.4 m -80.17 -33.24 38.5 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.525 1.141 . . . . 0.0 109.966 -164.391 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 14.6 p90 -71.15 -11.09 60.75 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.493 1.12 . . . . 0.0 110.996 -177.093 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 76.5 mt-30 -75.77 -29.84 58.93 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.425 1.078 . . . . 0.0 110.278 172.626 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 13' ' ' CYS . . . . . 0.545 ' SG ' ' SG ' ' A' ' 7' ' ' CYS . 83.2 m -85.4 -39.9 17.07 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.517 1.135 . . . . 0.0 108.29 -170.808 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 14' ' ' PHE . . . . . 0.586 ' N ' ' CD ' ' A' ' 15' ' ' PRO . 0.0 OUTLIER -56.2 -46.03 99.84 Favored Pre-proline 0 C--N 1.325 -0.469 0 O-C-N 124.523 1.14 . . . . 0.0 110.996 -161.559 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 15' ' ' PRO . . . . . 0.586 ' CD ' ' N ' ' A' ' 14' ' ' PHE . 18.2 Cg_endo -75.01 -29.9 7.71 Favored 'Trans proline' 0 C--N 1.36 1.166 0 O-C-N 124.534 1.807 . . . . 0.0 111.042 -178.607 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 1.1 t -69.76 -35.65 66.34 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.439 0 O-C-N 124.506 1.128 . . . . 0.0 109.325 -179.221 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 83.1 m -73.5 -37.37 65.72 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.523 1.14 . . . . 0.0 108.292 -177.699 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 37.7 ttpt -70.0 -32.56 70.8 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.445 1.091 . . . . 0.0 109.3 -179.95 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 44.4 t -72.69 -51.25 20.1 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.46 1.1 . . . . 0.0 110.021 179.3 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 68.5 ttt180 -83.65 -59.67 2.36 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.499 1.124 . . . . 0.0 110.291 -166.58 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 46.1 m-85 -94.26 -20.9 19.39 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.377 1.048 . . . . 0.0 111.072 -170.076 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 81.46 24.95 55.58 Favored Glycine 0 CA--C 1.53 0.986 0 O-C-N 124.545 1.153 . . . . 0.0 110.984 -177.436 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 94.3 mttt -91.18 159.72 15.92 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.477 0.751 . . . . 0.0 109.246 -177.5 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 7.4 p -75.0 -41.45 59.47 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.505 1.128 . . . . 0.0 110.39 -166.314 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 4.0 t-20 -159.95 164.95 32.96 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.483 1.114 . . . . 0.0 109.286 -175.832 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -146.37 159.41 27.97 Favored Glycine 0 CA--C 1.53 0.989 0 O-C-N 124.426 1.079 . . . . 0.0 110.995 177.596 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 59.0 ttt85 -129.93 138.69 51.02 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.488 0.758 . . . . 0.0 110.322 -177.957 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 6.2 t -81.74 91.82 6.53 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.482 1.114 . . . . 0.0 108.31 -175.38 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 78.1 t -94.9 118.12 40.28 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.515 0 O-C-N 124.48 1.113 . . . . 0.0 109.313 -178.354 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 34.5 m-20 57.24 33.92 24.01 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.462 1.101 . . . . 0.0 109.268 176.854 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . 82.23 13.58 78.59 Favored Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.545 1.153 . . . . 0.0 111.036 170.583 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 32' ' ' PHE . . . . . . . . . . . . . 25.4 m-85 -140.06 147.82 40.88 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.476 0.75 . . . . 0.0 111.038 177.641 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 33' ' ' CYS . . . . . . . . . . . . . 80.2 m -74.33 137.87 43.12 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.539 1.149 . . . . 0.0 108.28 -166.712 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 51.4 t0 -124.76 111.83 16.0 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.515 1.135 . . . . 0.0 109.345 170.218 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 35' ' ' CYS . . . . . . . . . . . . . 75.9 m -102.49 143.65 31.93 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.421 1.075 . . . . 0.0 108.33 -165.634 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 36' ' ' PHE . . . . . . . . . . . . . 16.5 p90 . . . . . 0 C--N 1.324 -0.509 0 O-C-N 124.51 1.131 . . . . 0.0 110.976 -178.857 . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo . . . . . 0 N--CA 1.453 -0.884 0 N-CA-C 110.994 -0.426 . . . . 0.0 110.994 . . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 52.3 p -126.98 -159.58 0.94 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.496 1.123 . . . . 0.0 110.393 -177.852 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 19.2 p-10 -127.37 20.04 6.81 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.553 1.158 . . . . 0.0 109.314 170.491 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 5' ' ' ILE . . . . . . . . . . . . . 57.8 mt -74.48 113.34 12.84 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.478 1.111 . . . . 0.0 109.33 177.074 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 84.5 tttt -75.12 144.44 42.84 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.425 1.078 . . . . 0.0 109.267 -170.004 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 7' ' ' CYS . . . . . 0.505 ' SG ' ' SG ' ' A' ' 13' ' ' CYS . 6.3 p -154.99 156.19 35.55 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.522 1.139 . . . . 0.0 108.303 -178.066 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 91.1 p -98.37 -26.43 14.49 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.464 1.102 . . . . 0.0 110.092 171.228 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 3.5 mm-40 -149.88 161.01 43.11 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.503 1.127 . . . . 0.0 110.31 -164.844 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 37.5 m -80.0 -33.64 39.15 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.52 1.137 . . . . 0.0 109.978 -163.437 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 16.1 p90 -70.53 -10.89 60.36 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.519 1.137 . . . . 0.0 110.944 -176.423 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 75.0 mt-30 -75.01 -33.6 61.83 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.512 1.132 . . . . 0.0 110.281 173.245 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 13' ' ' CYS . . . . . 0.505 ' SG ' ' SG ' ' A' ' 7' ' ' CYS . 84.8 m -85.71 -35.42 20.85 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.449 1.093 . . . . 0.0 108.268 -169.939 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 14' ' ' PHE . . . . . 0.587 ' N ' ' CD ' ' A' ' 15' ' ' PRO . 0.1 OUTLIER -58.25 -44.82 99.58 Favored Pre-proline 0 C--N 1.324 -0.513 0 O-C-N 124.563 1.165 . . . . 0.0 111.009 -162.225 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 15' ' ' PRO . . . . . 0.587 ' CD ' ' N ' ' A' ' 14' ' ' PHE . 18.4 Cg_endo -75.05 -34.07 4.06 Favored 'Trans proline' 0 C--N 1.36 1.14 0 O-C-N 124.483 1.781 . . . . 0.0 111.011 179.298 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 0.9 OUTLIER -58.92 -39.81 78.74 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.554 1.159 . . . . 0.0 109.335 176.017 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 93.5 m -75.23 -41.01 58.52 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.535 1.147 . . . . 0.0 108.361 -174.274 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 28.2 ttpp -66.61 -31.87 72.85 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.493 1.121 . . . . 0.0 109.225 -178.196 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 44.4 t -76.22 -50.05 15.5 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.415 1.072 . . . . 0.0 109.953 179.567 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 49.5 tpt85 -79.2 -58.37 3.26 Favored 'General case' 0 C--N 1.324 -0.533 0 O-C-N 124.536 1.148 . . . . 0.0 110.285 -167.557 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 68.4 m-85 -99.76 -19.99 16.46 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.408 1.067 . . . . 0.0 110.961 -168.667 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 78.11 27.86 57.3 Favored Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.521 1.138 . . . . 0.0 110.977 -177.513 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 25.0 mmtt -81.47 170.76 15.54 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.52 0.776 . . . . 0.0 109.346 -179.218 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 8.2 p -87.12 -31.1 20.6 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.495 1.122 . . . . 0.0 110.429 -169.485 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 55.2 t30 -164.48 157.72 17.54 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.518 1.136 . . . . 0.0 109.287 -179.138 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -142.65 147.48 18.94 Favored Glycine 0 CA--C 1.53 1.023 0 O-C-N 124.487 1.117 . . . . 0.0 111.028 177.726 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 99.7 mtt180 -135.21 153.47 51.93 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.571 0.807 . . . . 0.0 110.282 -177.092 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 9.0 t -90.59 97.03 10.94 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.441 1.088 . . . . 0.0 108.274 -172.491 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 97.9 t -95.05 113.21 28.97 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 O-C-N 124.532 1.145 . . . . 0.0 109.282 -178.433 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 33.1 m-20 58.1 35.71 25.35 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.487 1.117 . . . . 0.0 109.306 174.411 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . 84.35 10.04 80.72 Favored Glycine 0 CA--C 1.53 0.98 0 O-C-N 124.469 1.106 . . . . 0.0 111.026 170.742 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 32' ' ' PHE . . . . . . . . . . . . . 73.3 m-85 -138.44 145.17 40.59 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.428 0.722 . . . . 0.0 110.998 178.557 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 33' ' ' CYS . . . . . . . . . . . . . 82.4 m -70.93 142.9 51.08 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.455 1.097 . . . . 0.0 108.3 -169.727 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 61.4 t0 -136.62 127.17 26.91 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.519 1.137 . . . . 0.0 109.307 168.142 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 35' ' ' CYS . . . . . . . . . . . . . 33.9 m -109.71 145.6 36.3 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.498 1.124 . . . . 0.0 108.299 -167.869 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 36' ' ' PHE . . . . . . . . . . . . . 42.6 p90 . . . . . 0 C--N 1.325 -0.482 0 O-C-N 124.504 1.128 . . . . 0.0 111.016 -179.997 . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 18.7 Cg_endo . . . . . 0 N--CA 1.453 -0.902 0 N-CA-C 111.058 -0.401 . . . . 0.0 111.058 . . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 13.2 p -132.59 -163.49 1.35 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.511 1.132 . . . . 0.0 110.46 171.764 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 16.0 p-10 -114.25 4.2 15.39 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.459 1.099 . . . . 0.0 109.329 -179.094 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 5' ' ' ILE . . . . . . . . . . . . . 85.5 mt -79.84 119.6 29.58 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.473 1.108 . . . . 0.0 109.309 -173.977 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 17.2 tptm -78.65 139.15 38.56 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.455 1.097 . . . . 0.0 109.322 -176.741 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 7' ' ' CYS . . . . . 0.617 ' SG ' ' SG ' ' A' ' 13' ' ' CYS . 8.1 p -151.9 158.17 42.83 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.52 1.138 . . . . 0.0 108.28 -178.796 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 90.6 p -95.23 -31.03 13.68 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.555 1.159 . . . . 0.0 110.038 167.765 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 23.9 mt-10 -149.08 159.94 43.78 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.451 1.095 . . . . 0.0 110.253 -156.261 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 73.6 m -78.3 -32.96 49.6 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.491 1.119 . . . . 0.0 109.985 -161.926 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 13.4 p90 -70.98 -14.03 62.21 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.532 1.145 . . . . 0.0 111.089 -175.387 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 52.8 mt-30 -72.37 -35.92 68.6 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.477 1.111 . . . . 0.0 110.338 172.415 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 13' ' ' CYS . . . . . 0.617 ' SG ' ' SG ' ' A' ' 7' ' ' CYS . 83.9 m -85.69 -40.0 16.62 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.427 1.079 . . . . 0.0 108.296 -166.909 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 14' ' ' PHE . . . . . 0.584 ' N ' ' CD ' ' A' ' 15' ' ' PRO . 0.1 OUTLIER -58.46 -44.89 99.6 Favored Pre-proline 0 C--N 1.324 -0.521 0 O-C-N 124.552 1.158 . . . . 0.0 110.998 -161.022 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 15' ' ' PRO . . . . . 0.584 ' CD ' ' N ' ' A' ' 14' ' ' PHE . 18.2 Cg_endo -75.02 -30.32 7.26 Favored 'Trans proline' 0 C--N 1.361 1.207 0 O-C-N 124.47 1.774 . . . . 0.0 111.035 179.834 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 1.1 t -68.03 -35.96 73.71 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.515 1.135 . . . . 0.0 109.284 -179.514 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 69.6 m -73.79 -39.7 63.94 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.484 1.115 . . . . 0.0 108.313 -176.366 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 64.7 tttm -69.89 -34.06 73.04 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.548 1.155 . . . . 0.0 109.348 -178.055 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 47.2 t -73.57 -49.38 26.62 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.484 1.115 . . . . 0.0 109.979 179.88 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 1.2 tpm_? -80.84 -61.8 1.86 Allowed 'General case' 0 C--N 1.326 -0.432 0 O-C-N 124.439 1.087 . . . . 0.0 110.26 -167.547 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 79.5 m-85 -99.15 -9.18 24.1 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.471 1.107 . . . . 0.0 110.953 -167.021 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 73.67 25.68 71.53 Favored Glycine 0 CA--C 1.53 1.017 0 O-C-N 124.495 1.122 . . . . 0.0 110.979 177.635 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 24.6 mmtt -81.15 162.63 23.57 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.509 0.77 . . . . 0.0 109.314 -178.458 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 6.1 p -74.99 -36.02 62.02 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.474 1.109 . . . . 0.0 110.409 -172.467 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 10.4 t-20 -162.14 164.16 28.08 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.541 1.151 . . . . 0.0 109.268 -177.923 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -150.01 160.1 28.38 Favored Glycine 0 CA--C 1.531 1.036 0 O-C-N 124.429 1.081 . . . . 0.0 111.015 177.287 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 16.7 ptp180 -153.37 160.36 42.63 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.455 0.738 . . . . 0.0 110.345 -179.539 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 5.9 t -92.26 109.67 21.05 Favored 'General case' 0 C--N 1.324 -0.534 0 O-C-N 124.563 1.165 . . . . 0.0 108.258 -169.674 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 95.8 t -104.63 111.35 33.81 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.454 1.096 . . . . 0.0 109.326 178.414 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 36.9 m-20 58.13 36.32 25.78 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.482 1.114 . . . . 0.0 109.257 171.746 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . 91.32 0.13 74.0 Favored Glycine 0 CA--C 1.53 0.991 0 O-C-N 124.462 1.101 . . . . 0.0 111.001 168.572 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 32' ' ' PHE . . . . . . . . . . . . . 52.9 m-85 -133.05 143.63 49.5 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.48 0.753 . . . . 0.0 111.01 179.904 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 33' ' ' CYS . . . . . 0.426 ' SG ' ' SG ' ' A' ' 7' ' ' CYS . 87.4 m -71.68 144.02 49.5 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.447 1.092 . . . . 0.0 108.29 -168.884 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 13.2 t70 -131.51 120.17 22.57 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.491 1.12 . . . . 0.0 109.333 173.405 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 35' ' ' CYS . . . . . . . . . . . . . 40.0 m -105.24 141.79 36.16 Favored 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.504 1.128 . . . . 0.0 108.343 -170.425 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 36' ' ' PHE . . . . . . . . . . . . . 45.3 p90 . . . . . 0 C--N 1.323 -0.553 0 O-C-N 124.469 1.105 . . . . 0.0 111.017 178.437 . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo . . . . . 0 N--CA 1.453 -0.897 0 N-CA-C 111.005 -0.421 . . . . 0.0 111.005 . . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 10.7 p -129.39 -159.61 0.97 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.471 1.107 . . . . 0.0 110.432 172.862 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 7.1 p-10 -127.37 20.06 6.8 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.486 1.116 . . . . 0.0 109.312 175.608 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 5' ' ' ILE . . . . . . . . . . . . . 76.5 mt -80.87 113.32 20.12 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.471 1.107 . . . . 0.0 109.257 176.661 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 63.4 tttm -72.38 144.22 48.3 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.481 1.113 . . . . 0.0 109.321 -172.956 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 7' ' ' CYS . . . . . 0.53 ' SG ' ' SG ' ' A' ' 13' ' ' CYS . 6.3 p -155.79 154.95 32.17 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.489 1.118 . . . . 0.0 108.296 -178.519 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 63.8 p -96.14 -29.02 14.3 Favored 'General case' 0 C--N 1.324 -0.531 0 O-C-N 124.586 1.179 . . . . 0.0 110.018 170.654 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 48.3 mm-40 -149.4 162.56 39.85 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.466 1.104 . . . . 0.0 110.324 -165.133 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 42.4 m -80.14 -33.27 38.66 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.499 1.124 . . . . 0.0 109.984 -163.711 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 17.7 p90 -70.34 -11.75 61.12 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.435 1.085 . . . . 0.0 111.01 -177.073 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 85.8 mt-30 -76.41 -31.87 58.19 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.53 1.144 . . . . 0.0 110.3 173.827 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 13' ' ' CYS . . . . . 0.53 ' SG ' ' SG ' ' A' ' 7' ' ' CYS . 73.1 m -85.38 -40.07 16.89 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.536 1.147 . . . . 0.0 108.279 -170.296 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 14' ' ' PHE . . . . . 0.588 ' N ' ' CD ' ' A' ' 15' ' ' PRO . 0.1 OUTLIER -58.27 -44.91 99.66 Favored Pre-proline 0 C--N 1.326 -0.441 0 O-C-N 124.485 1.115 . . . . 0.0 111.026 -160.71 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 15' ' ' PRO . . . . . 0.588 ' CD ' ' N ' ' A' ' 14' ' ' PHE . 18.5 Cg_endo -74.93 -29.94 7.82 Favored 'Trans proline' 0 C--N 1.36 1.156 0 O-C-N 124.439 1.758 . . . . 0.0 111.019 -179.56 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 1.0 OUTLIER -68.41 -36.36 74.54 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.432 1.082 . . . . 0.0 109.335 179.718 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 93.6 m -75.16 -39.82 60.05 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.449 1.093 . . . . 0.0 108.331 -177.539 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 28.2 ttpp -67.05 -34.24 77.26 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.542 1.151 . . . . 0.0 109.233 -179.089 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 47.1 t -74.14 -50.15 20.68 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.551 1.157 . . . . 0.0 109.994 179.826 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 26.6 tpt180 -79.67 -60.36 2.38 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.51 1.131 . . . . 0.0 110.308 -168.35 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 45.7 m-85 -96.79 -21.2 17.68 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.482 1.114 . . . . 0.0 111.027 -168.109 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 79.19 29.16 51.52 Favored Glycine 0 CA--C 1.529 0.939 0 O-C-N 124.579 1.175 . . . . 0.0 111.012 -178.635 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 8.7 mmtp -80.14 164.2 23.51 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.511 0.771 . . . . 0.0 109.324 179.994 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 6.6 p -75.73 -38.55 58.42 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.493 1.12 . . . . 0.0 110.399 -175.247 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 60.4 t30 -157.57 159.57 37.25 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.483 1.115 . . . . 0.0 109.247 -178.224 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -148.11 146.67 16.55 Favored Glycine 0 CA--C 1.531 1.045 0 O-C-N 124.497 1.123 . . . . 0.0 110.995 174.461 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 94.3 mtt-85 -139.67 156.03 47.06 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.578 0.811 . . . . 0.0 110.224 -175.439 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 8.4 t -89.67 102.95 15.64 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.536 1.147 . . . . 0.0 108.286 -169.674 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 98.2 t -97.64 109.97 24.5 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.485 1.116 . . . . 0.0 109.315 179.313 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 34.4 m-20 58.47 36.61 25.42 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.484 1.115 . . . . 0.0 109.287 172.094 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . 88.39 5.95 74.88 Favored Glycine 0 CA--C 1.53 1.018 0 O-C-N 124.597 1.186 . . . . 0.0 110.997 169.557 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 32' ' ' PHE . . . . . . . . . . . . . 79.8 m-85 -138.33 143.64 40.0 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.5 0.765 . . . . 0.0 110.984 178.312 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 33' ' ' CYS . . . . . . . . . . . . . 74.3 m -70.45 144.98 51.29 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.572 1.17 . . . . 0.0 108.273 -168.38 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 10.8 t0 -129.02 121.72 28.51 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.455 1.097 . . . . 0.0 109.338 167.924 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 35' ' ' CYS . . . . . . . . . . . . . 61.7 m -111.55 126.04 54.56 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.452 1.095 . . . . 0.0 108.307 -167.713 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 36' ' ' PHE . . . . . . . . . . . . . 45.8 p90 . . . . . 0 C--N 1.324 -0.507 0 O-C-N 124.53 1.144 . . . . 0.0 110.987 -172.783 . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 1' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.452 -0.339 0 N-CA-C 110.345 -0.243 . . . . 0.0 110.345 . . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.04 152.52 40.66 Favored 'Trans proline' 0 C--N 1.359 1.08 0 O-C-N 124.545 1.813 . . . . 0.0 110.926 170.621 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 46.0 p -127.12 -161.28 1.06 Allowed 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.57 1.169 . . . . 0.0 110.393 -179.772 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 41.9 p-10 -118.41 11.23 12.95 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.511 1.132 . . . . 0.0 109.307 173.808 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 5' ' ' ILE . . . . . . . . . . . . . 50.8 mt -74.71 112.47 12.03 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.443 0 O-C-N 124.519 1.137 . . . . 0.0 109.284 178.809 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 38.3 ttpt -73.22 145.41 46.24 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.422 1.076 . . . . 0.0 109.28 -172.556 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 7' ' ' CYS . . . . . 0.551 ' SG ' ' SG ' ' A' ' 13' ' ' CYS . 11.2 p -153.13 154.22 34.35 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.499 1.124 . . . . 0.0 108.255 179.328 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 7.9 p -100.48 -23.7 14.66 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.581 1.175 . . . . 0.0 110.038 173.252 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 4.3 mp0 -149.55 163.7 37.12 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.561 1.163 . . . . 0.0 110.282 -173.005 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 19.8 m -80.06 -33.12 39.25 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.502 1.126 . . . . 0.0 110.013 -165.502 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 16.5 p90 -72.1 -9.72 58.8 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.443 1.089 . . . . 0.0 111.013 -177.174 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 70.5 mt-30 -78.04 -28.83 49.06 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.532 1.145 . . . . 0.0 110.291 173.189 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 13' ' ' CYS . . . . . 0.551 ' SG ' ' SG ' ' A' ' 7' ' ' CYS . 74.6 m -85.48 -38.97 18.0 Favored 'General case' 0 C--N 1.326 -0.432 0 O-C-N 124.469 1.105 . . . . 0.0 108.292 -172.494 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 14' ' ' PHE . . . . . 0.591 ' N ' ' CD ' ' A' ' 15' ' ' PRO . 0.1 OUTLIER -55.99 -46.19 99.8 Favored Pre-proline 0 C--N 1.325 -0.495 0 O-C-N 124.454 1.097 . . . . 0.0 110.929 -162.103 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 15' ' ' PRO . . . . . 0.591 ' CD ' ' N ' ' A' ' 14' ' ' PHE . 18.5 Cg_endo -74.97 -29.69 8.01 Favored 'Trans proline' 0 C--N 1.359 1.119 0 O-C-N 124.561 1.822 . . . . 0.0 111.109 -177.543 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 1.1 t -68.66 -36.58 75.1 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 O-C-N 124.485 1.115 . . . . 0.0 109.3 178.72 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 93.1 m -75.0 -41.15 60.03 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.452 1.095 . . . . 0.0 108.299 -177.467 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 14.8 tmtt? -65.55 -36.3 83.38 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.484 1.115 . . . . 0.0 109.302 -179.35 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 42.6 t -72.06 -51.5 21.33 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.499 1.124 . . . . 0.0 110.008 -179.447 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 9.2 tpm_? -79.89 -57.9 3.43 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.541 1.15 . . . . 0.0 110.243 -166.924 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 40.3 m-85 -97.91 -20.88 17.19 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.386 1.054 . . . . 0.0 111.017 -167.838 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 80.62 27.27 51.75 Favored Glycine 0 CA--C 1.529 0.932 0 O-C-N 124.458 1.099 . . . . 0.0 111.027 -178.45 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 25.2 mmtt -80.41 172.49 13.69 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.474 0.749 . . . . 0.0 109.341 179.669 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 7.4 p -89.72 -31.95 17.22 Favored 'General case' 0 C--N 1.324 -0.536 0 O-C-N 124.545 1.153 . . . . 0.0 110.326 -170.447 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 38.4 t-20 -163.51 160.41 23.17 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.477 1.11 . . . . 0.0 109.296 -176.32 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -139.28 158.15 25.26 Favored Glycine 0 CA--C 1.529 0.96 0 O-C-N 124.474 1.109 . . . . 0.0 111.062 178.049 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 19.1 ptt180 -151.79 142.71 23.02 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.518 0.775 . . . . 0.0 110.282 -175.644 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 3.9 t -88.04 104.37 16.59 Favored 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.485 1.116 . . . . 0.0 108.324 -168.935 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 91.7 t -99.73 112.57 32.49 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.503 1.127 . . . . 0.0 109.33 177.527 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 34.7 m-20 58.1 35.11 24.87 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.576 1.173 . . . . 0.0 109.273 173.21 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . 83.77 12.13 78.1 Favored Glycine 0 CA--C 1.531 1.043 0 O-C-N 124.446 1.091 . . . . 0.0 110.942 171.012 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 32' ' ' PHE . . . . . . . . . . . . . 73.2 m-85 -137.35 145.57 43.5 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.531 0.783 . . . . 0.0 111.009 177.525 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 33' ' ' CYS . . . . . . . . . . . . . 84.0 m -71.33 139.39 49.87 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.478 1.111 . . . . 0.0 108.255 -167.472 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 27.1 t70 -124.95 119.28 28.29 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.497 1.123 . . . . 0.0 109.345 167.981 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 35' ' ' CYS . . . . . . . . . . . . . 56.6 m -105.04 140.69 37.85 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.527 1.142 . . . . 0.0 108.313 -171.085 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 36' ' ' PHE . . . . . . . . . . . . . 32.5 p90 . . . . . 0 C--N 1.325 -0.475 0 O-C-N 124.547 1.154 . . . . 0.0 111.033 -178.75 . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 1' ' ' ARG . . . . . . . . . . . . . 1.4 mpt_? . . . . . 0 N--CA 1.453 -0.319 0 N-CA-C 110.363 -0.236 . . . . 0.0 110.363 . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.93 150.26 38.23 Favored 'Trans proline' 0 C--N 1.36 1.16 0 O-C-N 124.469 1.773 . . . . 0.0 111.037 -174.185 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 32.0 p -126.95 -164.54 1.36 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.523 1.14 . . . . 0.0 110.413 174.803 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 38.1 p-10 -110.44 6.19 21.97 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.381 1.051 . . . . 0.0 109.28 -174.725 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 5' ' ' ILE . . . . . . . . . . . . . 80.1 mt -81.03 110.98 17.1 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.524 1.14 . . . . 0.0 109.306 -178.284 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 58.1 pttt -69.79 153.75 42.91 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.449 1.093 . . . . 0.0 109.279 -179.022 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 7.6 p -161.99 156.06 21.77 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.517 1.136 . . . . 0.0 108.295 -178.317 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 93.3 p -96.35 -29.28 14.06 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.507 1.13 . . . . 0.0 109.969 169.671 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 38.6 mm-40 -149.57 162.11 40.83 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.531 1.145 . . . . 0.0 110.285 -165.134 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 51.8 m -80.2 -32.62 38.58 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.491 1.119 . . . . 0.0 110.011 -163.838 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 16.0 p90 -71.08 -11.54 61.01 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.508 1.13 . . . . 0.0 110.993 -177.004 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 78.0 mt-30 -75.74 -30.37 59.18 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.519 1.137 . . . . 0.0 110.292 173.062 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 81.0 m -85.4 -40.07 16.88 Favored 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.507 1.129 . . . . 0.0 108.261 -170.182 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 14' ' ' PHE . . . . . 0.591 ' N ' ' CD ' ' A' ' 15' ' ' PRO . 0.1 OUTLIER -56.71 -45.64 99.92 Favored Pre-proline 0 C--N 1.325 -0.496 0 O-C-N 124.554 1.159 . . . . 0.0 110.994 -161.809 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 15' ' ' PRO . . . . . 0.591 ' CD ' ' N ' ' A' ' 14' ' ' PHE . 18.1 Cg_endo -75.0 -29.79 7.85 Favored 'Trans proline' 0 C--N 1.36 1.171 0 O-C-N 124.529 1.805 . . . . 0.0 110.962 -178.678 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 1.1 t -68.66 -36.03 72.66 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.515 0 O-C-N 124.531 1.144 . . . . 0.0 109.271 179.647 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 73.7 m -75.0 -38.14 61.68 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.531 1.144 . . . . 0.0 108.265 -176.502 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 14.8 tmtt? -67.75 -37.75 82.56 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.452 1.095 . . . . 0.0 109.28 179.34 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 44.1 t -71.61 -48.48 47.77 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.537 1.148 . . . . 0.0 109.994 -178.533 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 25.9 tpt180 -82.5 -59.78 2.41 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.529 1.143 . . . . 0.0 110.298 -167.743 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 35.0 m-85 -96.96 -20.49 18.06 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.524 1.14 . . . . 0.0 111.047 -168.015 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 80.61 23.97 59.34 Favored Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.499 1.124 . . . . 0.0 111.037 -176.488 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 94.6 mttt -87.99 157.51 18.9 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.492 0.76 . . . . 0.0 109.347 -178.679 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 8.1 p -74.84 -38.56 61.96 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.532 1.145 . . . . 0.0 110.436 -164.877 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 7.3 t-20 -160.44 164.09 32.54 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.446 1.091 . . . . 0.0 109.255 -178.98 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -151.55 150.9 22.89 Favored Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.471 1.107 . . . . 0.0 110.944 175.547 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 87.1 mtm180 -130.35 151.65 50.62 Favored 'General case' 0 C--N 1.326 -0.429 0 O-C-N 124.47 0.747 . . . . 0.0 110.317 -176.742 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 8.2 t -86.98 97.61 10.81 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.507 1.129 . . . . 0.0 108.316 -171.217 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 92.4 t -95.06 112.43 27.49 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.527 0 O-C-N 124.547 1.154 . . . . 0.0 109.274 -179.998 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 35.7 m-20 57.97 36.85 26.52 Favored 'General case' 0 C--N 1.323 -0.545 0 O-C-N 124.503 1.127 . . . . 0.0 109.23 172.966 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . 84.11 11.65 78.2 Favored Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.447 1.092 . . . . 0.0 110.998 170.221 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 32' ' ' PHE . . . . . . . . . . . . . 47.8 m-85 -140.09 144.78 36.97 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.535 0.786 . . . . 0.0 110.975 177.026 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 33' ' ' CYS . . . . . . . . . . . . . 84.3 m -70.96 143.52 50.83 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.45 1.093 . . . . 0.0 108.332 -169.323 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 10.0 t0 -129.11 111.14 12.63 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.5 1.125 . . . . 0.0 109.291 171.144 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 35' ' ' CYS . . . . . . . . . . . . . 74.5 m -105.39 141.86 36.16 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.53 1.144 . . . . 0.0 108.335 -165.16 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 36' ' ' PHE . . . . . . . . . . . . . 29.5 p90 . . . . . 0 C--N 1.324 -0.502 0 O-C-N 124.476 1.11 . . . . 0.0 111.005 -178.914 . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 1' ' ' ARG . . . . . . . . . . . . . 71.1 mtp180 . . . . . 0 N--CA 1.452 -0.337 0 N-CA-C 110.274 -0.269 . . . . 0.0 110.274 . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.03 153.47 41.67 Favored 'Trans proline' 0 C--N 1.36 1.177 0 O-C-N 124.476 1.777 . . . . 0.0 111.001 178.672 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 30.5 p -125.6 -164.29 1.29 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.457 1.098 . . . . 0.0 110.357 175.801 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 5.7 p-10 -101.53 -8.54 21.82 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.486 1.116 . . . . 0.0 109.311 -174.348 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 5' ' ' ILE . . . . . . . . . . . . . 77.6 mt -77.85 113.72 17.43 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.442 0 O-C-N 124.417 1.073 . . . . 0.0 109.312 -171.503 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -72.17 157.0 38.56 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.498 1.124 . . . . 0.0 109.316 179.059 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 7' ' ' CYS . . . . . 0.565 ' SG ' ' SG ' ' A' ' 13' ' ' CYS . 3.8 p -161.44 154.87 21.45 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.415 1.072 . . . . 0.0 108.346 -177.649 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 97.0 p -102.92 -20.69 14.15 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.498 1.124 . . . . 0.0 110.012 175.076 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 1.4 mp0 -149.51 159.72 44.07 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.456 1.097 . . . . 0.0 110.363 -169.607 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 58.0 m -79.2 -35.93 40.96 Favored 'General case' 0 C--N 1.324 -0.532 0 O-C-N 124.437 1.086 . . . . 0.0 109.959 -165.054 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 14.9 p90 -75.47 -2.18 27.6 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.498 1.124 . . . . 0.0 111.06 -175.867 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 79.3 mt-30 -76.12 -35.94 59.06 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.546 1.154 . . . . 0.0 110.296 168.099 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 13' ' ' CYS . . . . . 0.565 ' SG ' ' SG ' ' A' ' 7' ' ' CYS . 63.9 m -85.9 -35.14 20.72 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.553 1.158 . . . . 0.0 108.251 -169.441 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 14' ' ' PHE . . . . . 0.594 ' N ' ' CD ' ' A' ' 15' ' ' PRO . 0.1 OUTLIER -59.29 -43.84 97.3 Favored Pre-proline 0 C--N 1.325 -0.483 0 O-C-N 124.445 1.09 . . . . 0.0 111.024 -162.379 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 15' ' ' PRO . . . . . 0.594 ' CD ' ' N ' ' A' ' 14' ' ' PHE . 18.1 Cg_endo -75.12 -35.65 2.94 Favored 'Trans proline' 0 C--N 1.36 1.169 0 O-C-N 124.451 1.764 . . . . 0.0 110.914 178.331 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 0.9 OUTLIER -56.63 -41.07 72.96 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.465 1.103 . . . . 0.0 109.359 176.729 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 98.8 m -75.2 -46.46 33.9 Favored 'General case' 0 C--N 1.326 -0.426 0 O-C-N 124.487 1.117 . . . . 0.0 108.235 -174.543 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 66.4 tttm -63.56 -36.21 83.02 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.481 1.113 . . . . 0.0 109.288 -174.271 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 67.3 m -81.1 -62.08 1.77 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.602 1.189 . . . . 0.0 109.973 -176.647 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 41.1 ttp85 -85.12 -40.03 17.23 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.499 1.124 . . . . 0.0 110.257 -159.073 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 62.2 m-85 -91.6 -26.27 18.79 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.41 1.069 . . . . 0.0 110.962 -178.773 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 82.78 34.34 22.17 Favored Glycine 0 CA--C 1.531 1.043 0 O-C-N 124.515 1.135 . . . . 0.0 110.973 177.957 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 4.7 tptp -95.11 -174.05 3.12 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.523 0.778 . . . . 0.0 109.33 -177.011 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 5.7 p -98.62 -32.94 11.17 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.524 1.14 . . . . 0.0 110.39 -175.37 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 55.6 t30 -163.57 157.94 20.11 Favored 'General case' 0 C--N 1.324 -0.535 0 O-C-N 124.558 1.161 . . . . 0.0 109.344 -177.656 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -147.23 147.75 18.79 Favored Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.517 1.136 . . . . 0.0 111.037 178.99 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 67.2 mtp85 -143.06 159.91 41.37 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.494 0.761 . . . . 0.0 110.182 -179.592 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 8.2 t -92.19 101.42 13.93 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.453 1.096 . . . . 0.0 108.229 -172.252 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 96.7 t -96.01 111.58 26.57 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.436 1.085 . . . . 0.0 109.348 179.451 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 35.0 m-20 58.13 37.04 26.34 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.515 1.135 . . . . 0.0 109.307 172.772 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . 85.17 10.31 78.32 Favored Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.414 1.071 . . . . 0.0 111.004 169.873 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 32' ' ' PHE . . . . . . . . . . . . . 51.3 m-85 -140.05 145.49 37.78 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.457 0.739 . . . . 0.0 111.022 177.496 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 33' ' ' CYS . . . . . . . . . . . . . 85.0 m -71.97 145.29 48.49 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.462 1.101 . . . . 0.0 108.236 -168.388 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 11.2 t0 -134.0 123.17 24.12 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.482 1.113 . . . . 0.0 109.284 172.875 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 35' ' ' CYS . . . . . . . . . . . . . 63.7 m -105.34 134.82 47.81 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.507 1.129 . . . . 0.0 108.272 -172.476 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 36' ' ' PHE . . . . . . . . . . . . . 45.6 p90 . . . . . 0 C--N 1.325 -0.47 0 O-C-N 124.483 1.114 . . . . 0.0 110.998 179.748 . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 1' ' ' ARG . . . . . . . . . . . . . 91.4 mtt180 . . . . . 0 N--CA 1.454 -0.24 0 N-CA-C 110.294 -0.261 . . . . 0.0 110.294 . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.0 158.12 42.38 Favored 'Trans proline' 0 C--N 1.36 1.16 0 O-C-N 124.432 1.754 . . . . 0.0 111.004 -177.024 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 23.8 p -132.87 -164.19 1.44 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.527 1.142 . . . . 0.0 110.435 177.588 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 5.8 p-10 -107.27 -0.1 22.8 Favored 'General case' 0 C--N 1.324 -0.54 0 O-C-N 124.516 1.135 . . . . 0.0 109.299 -176.097 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 5' ' ' ILE . . . . . . . . . . . . . 77.0 mt -80.86 117.99 27.84 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.524 1.14 . . . . 0.0 109.247 -173.615 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 98.9 mttt -75.59 149.81 38.19 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.422 1.076 . . . . 0.0 109.273 -178.832 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 7' ' ' CYS . . . . . 0.491 ' SG ' ' SG ' ' A' ' 13' ' ' CYS . 6.7 p -158.75 157.23 31.29 Favored 'General case' 0 C--N 1.326 -0.43 0 O-C-N 124.524 1.14 . . . . 0.0 108.285 179.773 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 93.8 p -98.45 -27.89 13.86 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.512 1.133 . . . . 0.0 109.977 169.403 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 61.5 mm-40 -149.21 161.16 42.56 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.508 1.13 . . . . 0.0 110.269 -164.223 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 37.5 m -80.06 -32.4 39.35 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.525 1.14 . . . . 0.0 110.03 -162.94 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 17.3 p90 -70.6 -12.11 61.36 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.466 1.104 . . . . 0.0 111.031 -176.673 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 72.9 mt-30 -74.61 -32.81 62.45 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.493 1.121 . . . . 0.0 110.34 173.159 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 13' ' ' CYS . . . . . 0.491 ' SG ' ' SG ' ' A' ' 7' ' ' CYS . 84.1 m -85.57 -39.16 17.67 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.558 1.162 . . . . 0.0 108.318 -168.588 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 14' ' ' PHE . . . . . 0.596 ' N ' ' CD ' ' A' ' 15' ' ' PRO . 0.1 OUTLIER -57.68 -45.22 99.85 Favored Pre-proline 0 C--N 1.325 -0.5 0 O-C-N 124.509 1.13 . . . . 0.0 111.007 -162.01 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 15' ' ' PRO . . . . . 0.596 ' CD ' ' N ' ' A' ' 14' ' ' PHE . 18.3 Cg_endo -75.0 -29.91 7.72 Favored 'Trans proline' 0 C--N 1.359 1.127 0 O-C-N 124.449 1.762 . . . . 0.0 111.003 -179.158 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 1.1 t -69.01 -36.35 73.45 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.569 1.168 . . . . 0.0 109.288 -179.205 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 91.6 m -74.94 -37.81 61.9 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.502 1.126 . . . . 0.0 108.245 -177.484 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 28.4 ttpp -70.05 -34.43 73.21 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.449 1.093 . . . . 0.0 109.282 -178.834 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 43.6 t -74.79 -52.6 11.04 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.507 1.13 . . . . 0.0 110.026 -178.633 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 40.2 ttm180 -82.78 -57.6 3.24 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.556 1.16 . . . . 0.0 110.333 -164.901 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 34.8 m-85 -95.69 -21.0 18.47 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.456 1.098 . . . . 0.0 110.971 -170.707 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 78.96 35.98 29.5 Favored Glycine 0 CA--C 1.531 1.041 0 O-C-N 124.486 1.116 . . . . 0.0 110.962 -177.951 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 9.8 mptt -91.65 158.25 16.51 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.506 0.768 . . . . 0.0 109.322 178.893 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 6.9 p -75.02 -35.52 61.96 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.532 1.145 . . . . 0.0 110.371 -169.301 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 7.4 t-20 -159.62 164.65 33.95 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.578 1.174 . . . . 0.0 109.296 179.307 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -152.23 147.28 16.83 Favored Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.479 1.112 . . . . 0.0 110.985 176.683 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 72.5 mtp85 -138.5 153.06 48.77 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.507 0.769 . . . . 0.0 110.323 -175.826 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 7.9 t -88.66 103.12 15.64 Favored 'General case' 0 C--N 1.324 -0.53 0 O-C-N 124.531 1.145 . . . . 0.0 108.34 -169.148 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 98.0 t -98.98 110.37 26.14 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.506 1.129 . . . . 0.0 109.295 178.669 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 36.2 m-20 58.47 37.45 25.63 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.546 1.154 . . . . 0.0 109.343 170.997 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . 86.84 8.35 76.42 Favored Glycine 0 CA--C 1.53 1.031 0 O-C-N 124.435 1.085 . . . . 0.0 110.962 169.275 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 32' ' ' PHE . . . . . . . . . . . . . 46.8 m-85 -136.28 144.95 45.04 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.533 0.784 . . . . 0.0 110.969 176.698 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 33' ' ' CYS . . . . . . . . . . . . . 87.9 m -71.88 140.26 49.2 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.47 1.106 . . . . 0.0 108.29 -172.318 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 10.4 t70 -124.79 116.05 21.67 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.5 1.125 . . . . 0.0 109.304 171.488 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 35' ' ' CYS . . . . . . . . . . . . . 86.2 m -103.95 137.26 42.19 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.529 1.143 . . . . 0.0 108.376 -169.521 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 36' ' ' PHE . . . . . . . . . . . . . 44.4 p90 . . . . . 0 C--N 1.324 -0.503 0 O-C-N 124.447 1.092 . . . . 0.0 111.025 -179.562 . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 1' ' ' ARG . . . . . . . . . . . . . 9.8 ptp85 . . . . . 0 N--CA 1.454 -0.248 0 N-CA-C 110.298 -0.26 . . . . 0.0 110.298 . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.9 146.41 33.05 Favored 'Trans proline' 0 C--N 1.36 1.169 0 O-C-N 124.431 1.753 . . . . 0.0 111.011 164.132 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 15.0 p -132.52 -160.02 1.01 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.412 1.07 . . . . 0.0 110.439 -179.567 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 19.5 p-10 -125.92 20.01 7.72 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.551 1.157 . . . . 0.0 109.252 173.29 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 5' ' ' ILE . . . . . . . . . . . . . 49.9 mt -75.15 108.78 7.28 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.517 1.136 . . . . 0.0 109.297 178.488 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 58.0 pttt -66.6 148.11 52.34 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.505 1.128 . . . . 0.0 109.308 -170.656 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 7' ' ' CYS . . . . . 0.401 ' SG ' ' SG ' ' A' ' 13' ' ' CYS . 11.3 p -159.14 156.12 28.46 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.536 1.147 . . . . 0.0 108.275 178.41 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 90.9 p -97.52 -27.82 14.25 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.576 1.173 . . . . 0.0 110.01 170.142 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 4.5 mm-40 -149.9 163.51 37.86 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.503 1.127 . . . . 0.0 110.349 -166.945 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 58.1 m -80.05 -33.61 38.89 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.485 1.115 . . . . 0.0 110.027 -164.285 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 16.3 p90 -71.2 -10.02 59.07 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.586 1.178 . . . . 0.0 110.986 -176.584 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 79.2 mt-30 -77.31 -30.03 53.92 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.485 1.116 . . . . 0.0 110.272 173.199 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 13' ' ' CYS . . . . . 0.401 ' SG ' ' SG ' ' A' ' 7' ' ' CYS . 68.3 m -85.53 -35.77 20.91 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.512 1.133 . . . . 0.0 108.353 -172.334 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 14' ' ' PHE . . . . . 0.584 ' N ' ' CD ' ' A' ' 15' ' ' PRO . 0.1 OUTLIER -56.29 -45.5 99.91 Favored Pre-proline 0 C--N 1.326 -0.454 0 O-C-N 124.389 1.056 . . . . 0.0 111.034 -163.321 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 15' ' ' PRO . . . . . 0.584 ' CD ' ' N ' ' A' ' 14' ' ' PHE . 18.0 Cg_endo -75.06 -32.87 4.95 Favored 'Trans proline' 0 C--N 1.36 1.135 0 O-C-N 124.514 1.797 . . . . 0.0 111.023 -179.871 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 0.9 OUTLIER -61.26 -39.15 81.62 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.55 1.157 . . . . 0.0 109.25 177.27 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 83.5 m -75.16 -39.85 60.01 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.534 1.146 . . . . 0.0 108.3 -174.009 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 28.4 ttpp -69.08 -32.4 71.81 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.463 1.102 . . . . 0.0 109.288 -178.261 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 45.6 t -74.51 -50.85 16.56 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.512 1.133 . . . . 0.0 110.054 179.903 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 73.0 ttt180 -82.24 -59.99 2.36 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.487 1.117 . . . . 0.0 110.287 -166.66 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 62.2 m-85 -95.52 -18.96 20.21 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.512 1.133 . . . . 0.0 110.928 -169.598 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 78.79 25.47 60.31 Favored Glycine 0 CA--C 1.531 1.068 0 O-C-N 124.473 1.108 . . . . 0.0 110.955 -178.545 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 55.4 mttp -88.47 164.01 15.67 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.58 0.812 . . . . 0.0 109.322 -178.926 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 1.3 p -74.63 -37.81 62.68 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.533 1.145 . . . . 0.0 110.425 -167.003 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 6.1 t-20 -164.52 165.97 20.8 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.495 1.122 . . . . 0.0 109.328 -173.205 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -144.61 161.17 28.01 Favored Glycine 0 CA--C 1.53 1.016 0 O-C-N 124.425 1.078 . . . . 0.0 110.998 176.81 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 16.7 ptm180 -141.91 147.72 37.53 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.51 0.77 . . . . 0.0 110.324 -178.183 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 5.7 t -89.88 99.59 12.57 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.508 1.13 . . . . 0.0 108.319 -168.881 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 83.3 t -94.88 110.01 23.2 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.511 1.132 . . . . 0.0 109.294 -179.239 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 32.1 m120 53.48 40.13 30.95 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.427 1.08 . . . . 0.0 109.303 176.049 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . 83.6 13.77 74.98 Favored Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.49 1.119 . . . . 0.0 111.026 168.606 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 32' ' ' PHE . . . . . . . . . . . . . 72.1 m-85 -139.79 142.54 36.7 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.532 0.784 . . . . 0.0 110.978 177.441 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 33' ' ' CYS . . . . . . . . . . . . . 84.0 m -71.69 137.44 47.81 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.552 1.157 . . . . 0.0 108.307 -168.905 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 12.5 t70 -124.93 115.34 20.44 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.474 1.109 . . . . 0.0 109.271 166.358 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 35' ' ' CYS . . . . . . . . . . . . . 66.8 m -94.92 151.59 19.07 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.511 1.132 . . . . 0.0 108.328 -171.659 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 36' ' ' PHE . . . . . . . . . . . . . 52.9 p90 . . . . . 0 C--N 1.323 -0.551 0 O-C-N 124.532 1.145 . . . . 0.0 111.04 177.375 . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 1' ' ' ARG . . . . . . . . . . . . . 69.5 mtt85 . . . . . 0 N--CA 1.453 -0.283 0 N-CA-C 110.322 -0.251 . . . . 0.0 110.322 . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.02 148.62 35.44 Favored 'Trans proline' 0 C--N 1.36 1.15 0 O-C-N 124.534 1.808 . . . . 0.0 110.965 -179.864 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 31.9 p -126.54 -165.06 1.4 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.452 1.095 . . . . 0.0 110.38 177.994 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 12.4 p-10 -102.06 -6.1 23.75 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.414 1.071 . . . . 0.0 109.354 -173.974 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 5' ' ' ILE . . . . . . . . . . . . . 78.1 mt -76.73 120.89 27.84 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.515 0 O-C-N 124.556 1.16 . . . . 0.0 109.278 -172.032 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 98.8 mttt -78.37 152.16 32.44 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.494 1.122 . . . . 0.0 109.317 -177.484 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 7' ' ' CYS . . . . . 0.576 ' SG ' ' SG ' ' A' ' 13' ' ' CYS . 7.5 p -158.83 158.21 33.05 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.479 1.112 . . . . 0.0 108.307 179.027 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 89.5 p -99.59 -25.74 14.32 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.489 1.118 . . . . 0.0 110.061 169.894 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 1.2 mp0 -149.07 161.35 42.13 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.426 1.079 . . . . 0.0 110.284 -165.495 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 66.1 m -80.0 -34.48 38.46 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.517 1.135 . . . . 0.0 109.981 -165.008 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 21.4 p90 -72.4 -8.75 56.62 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.444 1.09 . . . . 0.0 111.04 -177.246 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 90.9 mt-30 -78.2 -29.76 48.61 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.497 1.123 . . . . 0.0 110.314 172.458 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 13' ' ' CYS . . . . . 0.576 ' SG ' ' SG ' ' A' ' 7' ' ' CYS . 72.7 m -85.36 -39.98 17.02 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.628 1.205 . . . . 0.0 108.39 -171.19 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 14' ' ' PHE . . . . . 0.59 ' N ' ' CD ' ' A' ' 15' ' ' PRO . 0.1 OUTLIER -56.8 -45.59 99.93 Favored Pre-proline 0 C--N 1.325 -0.48 0 O-C-N 124.441 1.088 . . . . 0.0 110.995 -162.351 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 15' ' ' PRO . . . . . 0.59 ' CD ' ' N ' ' A' ' 14' ' ' PHE . 18.6 Cg_endo -75.0 -29.81 7.83 Favored 'Trans proline' 0 C--N 1.36 1.158 0 O-C-N 124.502 1.791 . . . . 0.0 111.035 -179.147 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 1.2 t -68.02 -35.7 72.76 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.492 1.12 . . . . 0.0 109.294 179.089 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 79.9 m -74.86 -38.55 61.91 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.56 1.162 . . . . 0.0 108.324 -176.295 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 2.8 tmtm? -68.38 -35.71 78.09 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.494 1.121 . . . . 0.0 109.286 179.649 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 46.5 t -72.08 -49.6 35.09 Favored 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.53 1.144 . . . . 0.0 110.016 -179.142 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 51.2 tpt85 -82.32 -57.88 3.18 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.542 1.151 . . . . 0.0 110.251 -166.92 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 52.2 m-85 -98.85 -21.74 16.17 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.565 1.166 . . . . 0.0 111.033 -168.749 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 81.5 24.16 56.99 Favored Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.479 1.112 . . . . 0.0 110.978 -176.088 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 56.0 mttp -88.49 164.41 15.46 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.443 0.731 . . . . 0.0 109.271 -179.345 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 8.8 p -86.61 -31.46 21.14 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.493 1.121 . . . . 0.0 110.413 -159.088 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 10.9 t-20 -161.33 162.02 30.71 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.514 1.134 . . . . 0.0 109.329 -176.716 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -142.09 153.0 24.05 Favored Glycine 0 CA--C 1.531 1.061 0 O-C-N 124.484 1.115 . . . . 0.0 110.988 -179.926 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 10.8 tpp180 -140.02 136.76 34.04 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.543 0.79 . . . . 0.0 110.332 -179.081 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 6.8 t -85.04 97.14 9.66 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.406 1.066 . . . . 0.0 108.24 -171.534 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 95.4 t -94.96 110.69 24.33 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.504 1.127 . . . . 0.0 109.318 -179.943 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 35.8 m-20 58.57 35.78 24.76 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.501 1.126 . . . . 0.0 109.285 171.825 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . 85.42 11.8 74.32 Favored Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.469 1.105 . . . . 0.0 111.0 170.421 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 32' ' ' PHE . . . . . . . . . . . . . 58.6 m-85 -134.46 144.23 47.99 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.526 0.78 . . . . 0.0 110.997 175.401 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 33' ' ' CYS . . . . . . . . . . . . . 87.6 m -71.8 139.77 49.12 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.522 1.139 . . . . 0.0 108.295 -173.375 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 11.0 t0 -124.93 115.29 20.37 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.499 1.124 . . . . 0.0 109.276 170.185 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 35' ' ' CYS . . . . . . . . . . . . . 70.8 m -107.05 141.95 37.47 Favored 'General case' 0 C--N 1.326 -0.415 0 O-C-N 124.467 1.105 . . . . 0.0 108.326 -166.218 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 36' ' ' PHE . . . . . . . . . . . . . 20.0 p90 . . . . . 0 C--N 1.324 -0.522 0 O-C-N 124.451 1.094 . . . . 0.0 110.991 -179.097 . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 1' ' ' ARG . . . . . . . . . . . . . 79.6 mtp180 . . . . . 0 N--CA 1.452 -0.348 0 N-CA-C 110.392 -0.225 . . . . 0.0 110.392 . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.01 152.56 40.88 Favored 'Trans proline' 0 C--N 1.36 1.143 0 O-C-N 124.51 1.795 . . . . 0.0 110.987 167.879 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 17.4 p -131.81 -164.24 1.43 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.521 1.138 . . . . 0.0 110.406 -179.861 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 16.6 p-10 -112.75 3.92 16.77 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.457 1.098 . . . . 0.0 109.302 -177.345 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 5' ' ' ILE . . . . . . . . . . . . . 54.7 mt -75.11 113.71 14.23 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.559 1.162 . . . . 0.0 109.306 -174.666 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 84.5 tttt -74.55 144.86 43.84 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.553 1.158 . . . . 0.0 109.333 -173.393 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 7' ' ' CYS . . . . . 0.653 ' SG ' ' SG ' ' A' ' 13' ' ' CYS . 6.0 p -156.32 154.97 31.45 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.521 1.138 . . . . 0.0 108.313 -177.744 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 93.2 p -97.89 -27.69 14.16 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.415 1.072 . . . . 0.0 109.979 171.876 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 4.0 mm-40 -149.72 161.7 41.71 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.568 1.168 . . . . 0.0 110.327 -162.028 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 29.8 m -77.03 -35.68 56.76 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.466 1.104 . . . . 0.0 109.992 -164.073 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 19.1 p90 -70.19 -10.9 60.28 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.452 1.095 . . . . 0.0 110.989 -173.965 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 62.4 mt-30 -75.7 -36.58 59.97 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.553 1.158 . . . . 0.0 110.314 172.016 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 13' ' ' CYS . . . . . 0.653 ' SG ' ' SG ' ' A' ' 7' ' ' CYS . 80.8 m -85.52 -39.9 16.93 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.533 1.146 . . . . 0.0 108.31 -169.865 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 14' ' ' PHE . . . . . 0.602 ' N ' ' CD ' ' A' ' 15' ' ' PRO . 0.1 OUTLIER -57.4 -45.28 99.9 Favored Pre-proline 0 C--N 1.324 -0.522 0 O-C-N 124.472 1.108 . . . . 0.0 111.034 -161.317 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 15' ' ' PRO . . . . . 0.602 ' CD ' ' N ' ' A' ' 14' ' ' PHE . 18.5 Cg_endo -74.98 -29.7 7.98 Favored 'Trans proline' 0 C--N 1.36 1.139 0 O-C-N 124.562 1.822 . . . . 0.0 111.013 -178.166 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 1.0 OUTLIER -67.78 -36.04 74.54 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.488 1.118 . . . . 0.0 109.255 178.311 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 63.4 m -74.51 -44.96 48.86 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.536 1.148 . . . . 0.0 108.285 -179.405 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 1.1 tmtp? -64.07 -36.06 82.78 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.483 1.114 . . . . 0.0 109.244 -176.045 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 42.2 t -78.6 -62.15 1.78 Allowed 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.531 1.144 . . . . 0.0 109.97 -177.309 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 4.3 tmt_? -83.15 -46.65 12.5 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.592 1.182 . . . . 0.0 110.28 -161.167 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 69.8 m-85 -89.8 -21.71 22.48 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.531 1.144 . . . . 0.0 110.989 -175.584 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 78.65 28.27 55.37 Favored Glycine 0 CA--C 1.53 0.989 0 O-C-N 124.5 1.125 . . . . 0.0 111.028 173.328 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 2.3 mtpp -90.01 173.98 7.91 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.453 0.737 . . . . 0.0 109.271 -178.027 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 1.4 p -74.84 -37.29 62.28 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.497 1.123 . . . . 0.0 110.409 -178.168 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 6.0 t-20 -163.36 167.66 21.45 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.478 1.111 . . . . 0.0 109.297 -174.881 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -154.13 154.56 25.59 Favored Glycine 0 CA--C 1.529 0.934 0 O-C-N 124.48 1.112 . . . . 0.0 111.057 173.318 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 52.1 mtp180 -143.17 163.7 32.19 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.497 0.763 . . . . 0.0 110.313 179.914 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 9.0 t -90.84 105.47 17.85 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.469 1.106 . . . . 0.0 108.316 -173.487 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 90.4 t -101.37 112.76 35.44 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.488 1.118 . . . . 0.0 109.291 179.872 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 35.0 m-20 58.29 35.97 25.28 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.521 1.138 . . . . 0.0 109.314 173.207 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . 85.43 8.72 80.48 Favored Glycine 0 CA--C 1.531 1.048 0 O-C-N 124.513 1.133 . . . . 0.0 111.043 170.249 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 32' ' ' PHE . . . . . . . . . . . . . 72.0 m-85 -139.39 144.5 38.18 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.562 0.801 . . . . 0.0 110.959 178.636 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 33' ' ' CYS . . . . . . . . . . . . . 96.5 m -72.42 138.28 47.03 Favored 'General case' 0 C--N 1.324 -0.535 0 O-C-N 124.535 1.147 . . . . 0.0 108.229 -168.162 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 11.0 t70 -129.56 128.49 42.86 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.424 1.078 . . . . 0.0 109.277 170.168 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 35' ' ' CYS . . . . . . . . . . . . . 32.4 m -101.58 147.02 26.9 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.466 1.104 . . . . 0.0 108.277 -176.31 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 36' ' ' PHE . . . . . . . . . . . . . 50.9 p90 . . . . . 0 C--N 1.324 -0.505 0 O-C-N 124.543 1.152 . . . . 0.0 111.041 175.779 . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 1' ' ' ARG . . . . . . . . . . . . . 68.7 mtt85 . . . . . 0 N--CA 1.453 -0.317 0 N-CA-C 110.376 -0.231 . . . . 0.0 110.376 . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.01 154.52 42.49 Favored 'Trans proline' 0 C--N 1.36 1.163 0 O-C-N 124.463 1.77 . . . . 0.0 111.033 169.528 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 31.8 p -124.99 -164.67 1.3 Allowed 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.374 1.046 . . . . 0.0 110.417 176.254 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 13.2 p-10 -102.58 -4.75 24.77 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.454 1.096 . . . . 0.0 109.336 -174.345 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 5' ' ' ILE . . . . . . . . . . . . . 78.5 mt -78.14 110.1 13.49 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.465 1.103 . . . . 0.0 109.361 -171.987 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 57.7 pttt -70.49 155.18 41.05 Favored 'General case' 0 C--N 1.324 -0.54 0 O-C-N 124.563 1.164 . . . . 0.0 109.247 178.174 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 7' ' ' CYS . . . . . 0.68 ' SG ' ' SG ' ' A' ' 13' ' ' CYS . 5.7 p -161.57 155.07 21.43 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.445 1.09 . . . . 0.0 108.32 -176.83 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 93.3 p -101.38 -21.94 14.7 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.446 1.091 . . . . 0.0 110.02 174.21 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -151.55 158.8 44.04 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.456 1.098 . . . . 0.0 110.254 -165.459 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 63.3 m -80.41 -32.89 37.35 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.529 1.143 . . . . 0.0 110.0 -164.257 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 13.1 p90 -71.33 -9.83 58.77 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.437 1.085 . . . . 0.0 111.002 -177.175 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 66.0 mt-30 -75.24 -37.15 61.16 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.522 1.139 . . . . 0.0 110.301 170.77 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 13' ' ' CYS . . . . . 0.68 ' SG ' ' SG ' ' A' ' 7' ' ' CYS . 71.4 m -85.63 -40.15 16.53 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.501 1.126 . . . . 0.0 108.324 -168.517 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 14' ' ' PHE . . . . . 0.597 ' N ' ' CD ' ' A' ' 15' ' ' PRO . 0.1 OUTLIER -58.76 -44.5 99.05 Favored Pre-proline 0 C--N 1.325 -0.473 0 O-C-N 124.452 1.095 . . . . 0.0 111.038 -161.749 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 15' ' ' PRO . . . . . 0.597 ' CD ' ' N ' ' A' ' 14' ' ' PHE . 18.5 Cg_endo -75.01 -29.75 7.89 Favored 'Trans proline' 0 C--N 1.361 1.219 0 O-C-N 124.517 1.799 . . . . 0.0 111.018 -179.701 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 1.1 t -67.64 -35.45 72.94 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.518 0 O-C-N 124.482 1.114 . . . . 0.0 109.271 178.951 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 70.3 m -73.27 -43.24 61.41 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.479 1.112 . . . . 0.0 108.236 -179.602 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 13.9 ttmt -68.0 -32.49 72.93 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.556 1.16 . . . . 0.0 109.327 -176.055 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 41.0 t -78.75 -64.34 1.2 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.484 1.115 . . . . 0.0 110.045 -178.026 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -85.09 -38.04 19.57 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.505 1.128 . . . . 0.0 110.312 -159.412 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 82.1 m-85 -98.35 -25.74 14.73 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.474 1.109 . . . . 0.0 110.97 -176.47 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 80.71 27.72 49.72 Favored Glycine 0 CA--C 1.53 0.971 0 O-C-N 124.527 1.142 . . . . 0.0 111.063 174.49 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 2.2 mtpp -90.28 168.73 11.69 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.456 0.739 . . . . 0.0 109.249 -176.609 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 1.9 p -76.47 -31.22 57.66 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.505 1.128 . . . . 0.0 110.425 -170.694 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 55.9 t30 -163.82 162.04 23.51 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.479 1.112 . . . . 0.0 109.26 -177.056 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -142.31 162.35 27.24 Favored Glycine 0 CA--C 1.53 1.031 0 O-C-N 124.474 1.109 . . . . 0.0 110.998 175.471 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 2.2 tpt180 -154.64 144.98 22.05 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.576 0.81 . . . . 0.0 110.291 -178.755 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 13.5 t -83.78 99.02 10.02 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.485 1.115 . . . . 0.0 108.247 -177.13 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 81.1 t -94.97 110.0 23.22 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.39 1.056 . . . . 0.0 109.336 -178.291 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 32.2 m120 53.51 42.59 31.92 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.557 1.161 . . . . 0.0 109.395 175.344 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . 86.45 7.94 78.42 Favored Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.458 1.099 . . . . 0.0 111.011 166.097 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 32' ' ' PHE . . . . . . . . . . . . . 43.7 m-85 -140.07 144.38 36.81 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.556 0.797 . . . . 0.0 111.077 177.659 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 33' ' ' CYS . . . . . . . . . . . . . 83.8 m -72.66 142.86 48.28 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.524 1.14 . . . . 0.0 108.29 -168.578 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 11.5 t70 -133.11 125.32 29.29 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.531 1.144 . . . . 0.0 109.301 172.873 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 35' ' ' CYS . . . . . . . . . . . . . 58.6 m -108.08 139.36 42.85 Favored 'General case' 0 C--N 1.324 -0.536 0 O-C-N 124.565 1.165 . . . . 0.0 108.348 -172.364 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 36' ' ' PHE . . . . . . . . . . . . . 31.3 p90 . . . . . 0 C--N 1.324 -0.523 0 O-C-N 124.478 1.111 . . . . 0.0 111.087 -179.407 . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 1' ' ' ARG . . . . . . . . . . . . . 11.5 ptm180 . . . . . 0 N--CA 1.453 -0.285 0 N-CA-C 110.277 -0.268 . . . . 0.0 110.277 . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.05 162.81 36.4 Favored 'Trans proline' 0 C--N 1.36 1.163 0 O-C-N 124.527 1.804 . . . . 0.0 110.983 169.168 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 16.3 p -131.16 -161.34 1.12 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.495 1.122 . . . . 0.0 110.39 172.275 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 4.7 p-10 -124.79 20.08 8.51 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.522 1.139 . . . . 0.0 109.267 177.335 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 5' ' ' ILE . . . . . . . . . . . . . 83.5 mt -87.28 113.79 25.29 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.588 1.18 . . . . 0.0 109.378 177.038 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 58.3 tttm -75.64 144.94 41.42 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.492 1.12 . . . . 0.0 109.272 -178.696 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 7' ' ' CYS . . . . . 0.637 ' SG ' ' SG ' ' A' ' 13' ' ' CYS . 5.2 p -151.9 153.6 34.47 Favored 'General case' 0 C--N 1.324 -0.54 0 O-C-N 124.549 1.155 . . . . 0.0 108.335 -176.819 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 60.6 p -97.7 -26.26 14.81 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.459 1.099 . . . . 0.0 110.036 172.693 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 4.0 mp0 -149.57 163.97 36.4 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.502 1.126 . . . . 0.0 110.286 -169.694 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 67.4 m -80.29 -31.91 38.19 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.554 1.159 . . . . 0.0 110.063 -163.33 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 16.9 p90 -70.42 -11.34 60.85 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.468 1.105 . . . . 0.0 111.002 -176.633 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 78.5 mt-30 -76.18 -32.34 58.98 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.447 1.092 . . . . 0.0 110.39 172.621 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 13' ' ' CYS . . . . . 0.637 ' SG ' ' SG ' ' A' ' 7' ' ' CYS . 71.6 m -85.38 -40.06 16.9 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.509 1.13 . . . . 0.0 108.282 -169.648 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 14' ' ' PHE . . . . . 0.6 ' N ' ' CD ' ' A' ' 15' ' ' PRO . 0.1 OUTLIER -58.22 -44.82 99.59 Favored Pre-proline 0 C--N 1.325 -0.495 0 O-C-N 124.488 1.117 . . . . 0.0 111.032 -161.711 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 15' ' ' PRO . . . . . 0.6 ' CD ' ' N ' ' A' ' 14' ' ' PHE . 18.0 Cg_endo -75.04 -29.84 7.75 Favored 'Trans proline' 0 C--N 1.36 1.161 0 O-C-N 124.506 1.793 . . . . 0.0 110.96 -179.29 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 1.1 t -67.9 -35.58 72.64 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.479 1.112 . . . . 0.0 109.299 178.948 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 99.2 m -75.01 -41.6 59.13 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.551 1.157 . . . . 0.0 108.311 -178.737 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 86.7 tttt -66.88 -33.77 76.33 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.538 1.149 . . . . 0.0 109.26 -177.683 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 41.5 t -77.38 -59.12 2.91 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.553 1.158 . . . . 0.0 109.961 -178.308 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 4.4 tmt_? -84.41 -50.33 7.88 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.553 1.158 . . . . 0.0 110.333 -161.758 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 66.0 m-85 -88.39 -24.5 23.06 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.501 1.125 . . . . 0.0 110.925 -175.519 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 79.6 26.85 55.86 Favored Glycine 0 CA--C 1.53 0.973 0 O-C-N 124.497 1.123 . . . . 0.0 111.001 179.472 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 25.2 mmtt -88.05 169.8 11.64 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.453 0.737 . . . . 0.0 109.322 -176.755 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 1.4 p -74.92 -37.18 62.11 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.557 1.16 . . . . 0.0 110.412 -174.929 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 5.9 t-20 -162.34 166.62 25.0 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.516 1.135 . . . . 0.0 109.215 -173.268 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -146.81 162.76 28.57 Favored Glycine 0 CA--C 1.531 1.036 0 O-C-N 124.506 1.128 . . . . 0.0 111.024 176.77 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 56.0 ttp180 -150.48 144.05 25.13 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.524 0.779 . . . . 0.0 110.326 -177.543 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 6.9 t -81.95 99.37 9.06 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.536 1.148 . . . . 0.0 108.287 -176.281 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 73.1 t -94.9 109.98 23.16 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.444 0 O-C-N 124.474 1.108 . . . . 0.0 109.264 -179.658 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 31.7 m120 53.46 41.99 32.03 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.428 1.08 . . . . 0.0 109.317 176.41 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . 87.81 4.98 78.47 Favored Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.476 1.11 . . . . 0.0 110.998 166.289 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 32' ' ' PHE . . . . . . . . . . . . . 29.7 m-85 -140.14 145.71 37.9 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.507 0.769 . . . . 0.0 110.997 179.479 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 33' ' ' CYS . . . . . . . . . . . . . 75.2 m -74.71 141.54 44.49 Favored 'General case' 0 C--N 1.326 -0.421 0 O-C-N 124.51 1.132 . . . . 0.0 108.323 -165.433 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 10.2 t70 -128.41 128.12 43.86 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.453 1.095 . . . . 0.0 109.323 168.083 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 35' ' ' CYS . . . . . . . . . . . . . 58.7 m -106.65 139.85 40.45 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.517 1.135 . . . . 0.0 108.281 -171.604 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 36' ' ' PHE . . . . . . . . . . . . . 31.3 p90 . . . . . 0 C--N 1.324 -0.506 0 O-C-N 124.408 1.067 . . . . 0.0 111.064 -178.939 . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 1' ' ' ARG . . . . . . . . . . . . . 99.2 mtt180 . . . . . 0 N--CA 1.453 -0.304 0 N-CA-C 110.303 -0.258 . . . . 0.0 110.303 . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.93 158.72 42.28 Favored 'Trans proline' 0 C--N 1.36 1.17 0 O-C-N 124.496 1.787 . . . . 0.0 111.05 177.319 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 51.0 p -126.41 -162.36 1.13 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.501 1.126 . . . . 0.0 110.319 178.29 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 17.0 p-10 -109.12 -2.1 18.32 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.528 1.143 . . . . 0.0 109.331 175.998 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 5' ' ' ILE . . . . . . . . . . . . . 75.5 mt -74.88 117.23 18.74 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.503 1.127 . . . . 0.0 109.26 -175.128 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 51.9 tttm -80.03 146.91 31.72 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.437 1.086 . . . . 0.0 109.302 -177.661 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 7' ' ' CYS . . . . . 0.615 ' SG ' ' SG ' ' A' ' 13' ' ' CYS . 8.4 p -153.77 157.5 39.51 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.528 1.143 . . . . 0.0 108.296 -178.401 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 92.3 p -96.93 -27.75 14.51 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.5 1.125 . . . . 0.0 110.086 169.797 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 30.6 mm-40 -149.18 161.18 42.5 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.487 1.117 . . . . 0.0 110.3 -162.507 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 58.1 m -79.4 -33.7 42.49 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.444 1.09 . . . . 0.0 110.05 -163.88 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 18.1 p90 -70.74 -11.43 60.95 Favored 'General case' 0 C--N 1.326 -0.43 0 O-C-N 124.468 1.105 . . . . 0.0 110.969 -176.385 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 74.6 mt-30 -75.97 -32.66 59.6 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.425 1.078 . . . . 0.0 110.322 173.265 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 13' ' ' CYS . . . . . 0.615 ' SG ' ' SG ' ' A' ' 7' ' ' CYS . 77.5 m -85.73 -34.19 21.28 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.49 1.119 . . . . 0.0 108.254 -170.157 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 14' ' ' PHE . . . . . 0.588 ' N ' ' CD ' ' A' ' 15' ' ' PRO . 0.1 OUTLIER -58.33 -45.12 99.73 Favored Pre-proline 0 C--N 1.325 -0.5 0 O-C-N 124.554 1.159 . . . . 0.0 111.05 -162.915 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 15' ' ' PRO . . . . . 0.588 ' CD ' ' N ' ' A' ' 14' ' ' PHE . 18.2 Cg_endo -75.0 -32.96 4.95 Favored 'Trans proline' 0 C--N 1.361 1.185 0 O-C-N 124.489 1.784 . . . . 0.0 110.996 179.735 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 0.9 OUTLIER -60.15 -40.36 83.23 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.548 1.155 . . . . 0.0 109.336 176.206 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 68.9 m -75.22 -40.72 58.85 Favored 'General case' 0 C--N 1.326 -0.426 0 O-C-N 124.394 1.059 . . . . 0.0 108.362 -174.354 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 14.7 tmtt? -68.99 -33.16 73.22 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.537 1.148 . . . . 0.0 109.355 -176.949 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 41.7 t -77.71 -57.2 3.94 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.531 1.144 . . . . 0.0 109.98 -177.405 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 41.2 ttm180 -82.59 -53.95 5.55 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.48 1.113 . . . . 0.0 110.284 -164.034 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 90.7 m-85 -94.25 -17.34 22.76 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.481 1.113 . . . . 0.0 110.972 -171.772 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 77.41 27.65 59.13 Favored Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.529 1.143 . . . . 0.0 111.08 173.905 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 2.9 mtpp -86.73 171.18 11.12 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.52 0.776 . . . . 0.0 109.252 -178.697 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 1.3 p -74.96 -37.56 61.92 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.55 1.156 . . . . 0.0 110.336 -175.514 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 30.5 t-20 -163.12 165.62 24.4 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.474 1.109 . . . . 0.0 109.323 -171.937 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -143.33 162.19 27.61 Favored Glycine 0 CA--C 1.53 0.983 0 O-C-N 124.524 1.14 . . . . 0.0 110.976 176.797 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 9.7 ptp180 -149.4 158.47 44.2 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.454 0.738 . . . . 0.0 110.272 177.039 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 4.7 t -94.32 105.66 17.64 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.554 1.159 . . . . 0.0 108.277 -172.586 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 94.8 t -96.88 109.93 23.99 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.502 1.126 . . . . 0.0 109.313 177.856 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 35.5 m-20 57.85 35.62 25.59 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.42 1.075 . . . . 0.0 109.246 171.837 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . 88.34 8.76 70.78 Favored Glycine 0 CA--C 1.53 1.029 0 O-C-N 124.494 1.121 . . . . 0.0 110.997 169.694 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 32' ' ' PHE . . . . . . . . . . . . . 49.8 m-85 -139.99 146.06 38.62 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.511 0.771 . . . . 0.0 111.021 177.624 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 33' ' ' CYS . . . . . . . . . . . . . 89.1 m -74.31 147.63 42.11 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.508 1.13 . . . . 0.0 108.325 -163.894 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 13.7 t0 -138.51 127.62 24.14 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.534 1.146 . . . . 0.0 109.315 169.758 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 35' ' ' CYS . . . . . . . . . . . . . 56.1 m -101.43 146.14 28.02 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.45 1.093 . . . . 0.0 108.346 -172.043 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 36' ' ' PHE . . . . . . . . . . . . . 45.6 p90 . . . . . 0 C--N 1.324 -0.53 0 O-C-N 124.544 1.152 . . . . 0.0 111.022 177.04 . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 1' ' ' ARG . . . . . . . . . . . . . 39.4 ptt180 . . . . . 0 N--CA 1.452 -0.327 0 N-CA-C 110.322 -0.251 . . . . 0.0 110.322 . . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.02 159.85 40.8 Favored 'Trans proline' 0 C--N 1.359 1.13 0 O-C-N 124.568 1.826 . . . . 0.0 110.986 169.578 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 20.3 p -132.47 -163.9 1.4 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.513 1.133 . . . . 0.0 110.361 175.624 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 39.2 p-10 -114.61 9.33 16.53 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.456 1.097 . . . . 0.0 109.237 -177.606 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 5' ' ' ILE . . . . . . . . . . . . . 83.3 mt -84.48 119.05 32.77 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.528 0 O-C-N 124.511 1.132 . . . . 0.0 109.301 -178.956 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 52.8 mtpt -78.22 151.46 33.12 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.533 1.146 . . . . 0.0 109.348 -177.379 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 7' ' ' CYS . . . . . 0.482 ' SG ' ' SG ' ' A' ' 13' ' ' CYS . 6.8 p -159.1 157.61 31.35 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.487 1.117 . . . . 0.0 108.305 -178.827 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 92.3 p -97.49 -28.34 14.02 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.474 1.109 . . . . 0.0 110.048 169.05 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 31.0 mm-40 -149.23 160.67 43.17 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.52 1.137 . . . . 0.0 110.342 -163.699 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 31.9 m -80.08 -32.9 39.25 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.505 1.128 . . . . 0.0 110.041 -163.321 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 17.1 p90 -70.14 -11.97 61.27 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.499 1.125 . . . . 0.0 111.042 -176.795 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 74.7 mt-30 -74.4 -33.88 63.14 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.558 1.161 . . . . 0.0 110.279 173.203 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 13' ' ' CYS . . . . . 0.482 ' SG ' ' SG ' ' A' ' 7' ' ' CYS . 64.7 m -85.7 -34.76 21.19 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.46 1.1 . . . . 0.0 108.287 -169.401 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 14' ' ' PHE . . . . . 0.586 ' N ' ' CD ' ' A' ' 15' ' ' PRO . 0.1 OUTLIER -58.24 -44.81 99.58 Favored Pre-proline 0 C--N 1.325 -0.477 0 O-C-N 124.506 1.129 . . . . 0.0 111.022 -162.214 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 15' ' ' PRO . . . . . 0.586 ' CD ' ' N ' ' A' ' 14' ' ' PHE . 18.6 Cg_endo -74.98 -33.78 4.34 Favored 'Trans proline' 0 C--N 1.359 1.118 0 O-C-N 124.547 1.814 . . . . 0.0 111.0 178.991 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 0.9 OUTLIER -59.99 -40.06 81.99 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.506 1.129 . . . . 0.0 109.291 177.29 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 88.1 m -75.11 -39.47 60.62 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.488 1.118 . . . . 0.0 108.313 -172.92 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 37.8 ttpt -70.01 -34.18 72.96 Favored 'General case' 0 C--N 1.327 -0.403 0 O-C-N 124.525 1.141 . . . . 0.0 109.332 -177.919 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 43.4 t -75.03 -50.95 14.83 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.518 1.136 . . . . 0.0 110.008 -178.137 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 25.4 tpt180 -83.1 -60.93 2.0 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.505 1.128 . . . . 0.0 110.315 -165.124 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 40.5 m-85 -99.61 -14.06 19.13 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.461 1.1 . . . . 0.0 111.011 -168.692 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 78.05 43.25 14.17 Favored Glycine 0 CA--C 1.53 0.986 0 O-C-N 124.44 1.087 . . . . 0.0 111.035 175.339 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 4.2 mptp? -101.79 160.41 14.49 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.495 0.762 . . . . 0.0 109.333 179.037 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 9.0 p -76.61 -36.44 57.47 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.507 1.129 . . . . 0.0 110.421 -170.42 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 58.7 t30 -156.74 158.39 36.8 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.504 1.127 . . . . 0.0 109.361 -177.324 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -142.73 148.21 19.88 Favored Glycine 0 CA--C 1.53 0.991 0 O-C-N 124.46 1.1 . . . . 0.0 110.958 177.117 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 99.8 mtt180 -135.17 149.64 49.99 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.517 0.775 . . . . 0.0 110.295 -177.572 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 8.5 t -88.46 98.47 11.65 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.48 1.113 . . . . 0.0 108.279 -173.025 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 99.6 t -95.04 110.67 24.33 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.503 1.127 . . . . 0.0 109.302 -179.884 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 35.7 m-20 58.38 37.02 25.85 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.506 1.128 . . . . 0.0 109.27 172.022 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . 85.17 11.01 76.91 Favored Glycine 0 CA--C 1.529 0.96 0 O-C-N 124.542 1.151 . . . . 0.0 110.995 170.186 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 32' ' ' PHE . . . . . . . . . . . . . 33.2 m-85 -137.17 146.05 44.48 Favored 'General case' 0 C--N 1.324 -0.537 0 O-C-N 124.437 0.728 . . . . 0.0 110.998 176.848 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 33' ' ' CYS . . . . . . . . . . . . . 96.1 m -73.39 138.82 45.52 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.453 1.095 . . . . 0.0 108.309 -171.968 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 9.8 t70 -126.99 122.28 34.06 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.509 1.131 . . . . 0.0 109.282 170.536 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 35' ' ' CYS . . . . . . . . . . . . . 72.0 m -107.95 139.85 41.95 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.508 1.13 . . . . 0.0 108.321 -168.478 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 36' ' ' PHE . . . . . . . . . . . . . 45.9 p90 . . . . . 0 C--N 1.324 -0.504 0 O-C-N 124.578 1.174 . . . . 0.0 110.988 179.784 . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 1' ' ' ARG . . . . . . . . . . . . . 99.4 mtt180 . . . . . 0 N--CA 1.453 -0.281 0 N-CA-C 110.332 -0.248 . . . . 0.0 110.332 . . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.96 144.62 30.63 Favored 'Trans proline' 0 C--N 1.359 1.13 0 O-C-N 124.497 1.788 . . . . 0.0 111.049 166.319 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 25.9 p -123.47 -162.14 1.02 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.513 1.133 . . . . 0.0 110.378 -179.571 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 6.7 p-10 -122.33 16.08 10.56 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.476 1.11 . . . . 0.0 109.282 -178.152 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 5' ' ' ILE . . . . . . . . . . . . . 85.5 mt -80.53 114.56 21.64 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.508 1.13 . . . . 0.0 109.314 178.002 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 84.8 tttt -73.01 144.72 47.08 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.548 1.155 . . . . 0.0 109.284 -173.156 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 7' ' ' CYS . . . . . 0.457 ' SG ' ' SG ' ' A' ' 13' ' ' CYS . 6.1 p -154.21 153.06 31.11 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.526 1.141 . . . . 0.0 108.282 -178.218 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 20.7 p -93.99 -31.44 14.25 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.456 1.097 . . . . 0.0 110.011 170.515 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 47.1 mt-10 -149.47 163.15 38.61 Favored 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.568 1.167 . . . . 0.0 110.304 -163.686 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 56.0 m -79.93 -35.87 37.16 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.519 1.137 . . . . 0.0 110.056 -159.903 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 23.4 p90 -73.14 -6.18 44.01 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.518 1.136 . . . . 0.0 111.008 -175.303 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 91.4 mt-30 -76.07 -33.95 59.56 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.567 1.167 . . . . 0.0 110.294 170.882 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 13' ' ' CYS . . . . . 0.457 ' SG ' ' SG ' ' A' ' 7' ' ' CYS . 72.3 m -85.74 -35.33 20.86 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.525 1.141 . . . . 0.0 108.28 -170.783 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 14' ' ' PHE . . . . . 0.591 ' N ' ' CD ' ' A' ' 15' ' ' PRO . 0.1 OUTLIER -58.77 -44.82 99.44 Favored Pre-proline 0 C--N 1.325 -0.47 0 O-C-N 124.505 1.128 . . . . 0.0 111.032 -162.683 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 15' ' ' PRO . . . . . 0.591 ' CD ' ' N ' ' A' ' 14' ' ' PHE . 18.3 Cg_endo -74.97 -30.03 7.66 Favored 'Trans proline' 0 C--N 1.36 1.158 0 O-C-N 124.494 1.786 . . . . 0.0 110.99 179.834 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 0.9 OUTLIER -64.1 -38.11 81.59 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.435 1.084 . . . . 0.0 109.316 176.611 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 91.6 m -74.99 -42.85 56.72 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.452 1.095 . . . . 0.0 108.301 -176.942 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 37.4 ttpt -61.88 -39.67 92.72 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.455 1.097 . . . . 0.0 109.345 -179.05 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 40.3 t -74.54 -63.2 1.29 Allowed 'General case' 0 C--N 1.326 -0.423 0 O-C-N 124.456 1.097 . . . . 0.0 110.012 -175.917 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 4.4 tmt_? -85.12 -46.96 10.63 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.434 1.084 . . . . 0.0 110.371 -162.083 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 68.5 m-85 -90.3 -21.41 22.07 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.462 1.101 . . . . 0.0 110.979 -172.42 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 73.67 36.47 53.56 Favored Glycine 0 CA--C 1.529 0.968 0 O-C-N 124.468 1.105 . . . . 0.0 111.044 178.678 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -102.19 165.7 11.0 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.48 0.753 . . . . 0.0 109.249 -177.898 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 7.5 p -77.6 -37.49 50.21 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.5 1.125 . . . . 0.0 110.4 -171.022 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 52.2 t30 -157.75 158.97 36.31 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.474 1.109 . . . . 0.0 109.251 -177.063 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -144.4 148.64 20.5 Favored Glycine 0 CA--C 1.529 0.938 0 O-C-N 124.448 1.093 . . . . 0.0 111.025 178.073 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 99.7 mtt180 -139.1 156.67 46.98 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.477 0.751 . . . . 0.0 110.311 -178.455 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 11.1 t -91.25 101.56 14.28 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.552 1.158 . . . . 0.0 108.28 -173.149 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 88.1 t -96.06 109.85 23.47 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.444 0 O-C-N 124.501 1.126 . . . . 0.0 109.265 -178.389 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 32.2 m120 53.48 41.7 32.07 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.476 1.11 . . . . 0.0 109.267 175.304 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . 85.69 7.68 81.24 Favored Glycine 0 CA--C 1.529 0.95 0 O-C-N 124.483 1.114 . . . . 0.0 111.041 167.485 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 32' ' ' PHE . . . . . . . . . . . . . 67.6 m-85 -139.34 143.18 37.69 Favored 'General case' 0 C--N 1.327 -0.411 0 O-C-N 124.429 0.723 . . . . 0.0 110.988 178.301 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 33' ' ' CYS . . . . . . . . . . . . . 91.8 m -70.65 144.71 51.0 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.532 1.145 . . . . 0.0 108.303 -167.837 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 10.3 t70 -132.45 126.26 32.63 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.471 1.107 . . . . 0.0 109.316 168.594 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 35' ' ' CYS . . . . . . . . . . . . . 65.9 m -102.38 142.31 33.8 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.53 1.144 . . . . 0.0 108.257 -174.913 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 36' ' ' PHE . . . . . . . . . . . . . 50.4 p90 . . . . . 0 C--N 1.326 -0.451 0 O-C-N 124.551 1.157 . . . . 0.0 110.994 176.726 . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 1' ' ' ARG . . . . . . . . . . . . . 95.1 mtt180 . . . . . 0 N--CA 1.453 -0.288 0 N-CA-C 110.291 -0.263 . . . . 0.0 110.291 . . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.97 159.63 41.24 Favored 'Trans proline' 0 C--N 1.36 1.167 0 O-C-N 124.435 1.755 . . . . 0.0 110.996 178.061 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 29.1 p -133.17 -165.27 1.59 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.622 1.201 . . . . 0.0 110.412 179.61 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 12.0 p-10 -101.94 -5.64 24.43 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.481 1.113 . . . . 0.0 109.351 -174.957 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 5' ' ' ILE . . . . . . . . . . . . . 82.2 mt -80.35 118.68 28.42 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.443 0 O-C-N 124.485 1.115 . . . . 0.0 109.333 -172.954 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 27.7 mtpp -79.66 153.21 29.51 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.546 1.154 . . . . 0.0 109.298 -179.107 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 7' ' ' CYS . . . . . 0.668 ' SG ' ' SG ' ' A' ' 13' ' ' CYS . 4.7 p -157.17 155.39 30.85 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.495 1.122 . . . . 0.0 108.297 -178.608 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 97.5 p -95.36 -28.14 15.1 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.494 1.121 . . . . 0.0 110.106 171.058 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 1.5 mp0 -149.33 161.26 42.41 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.516 1.135 . . . . 0.0 110.328 -163.317 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 74.3 m -80.01 -33.66 39.1 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.605 1.191 . . . . 0.0 110.039 -163.49 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 15.6 p90 -70.27 -11.25 60.77 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.554 1.159 . . . . 0.0 111.013 -176.523 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 74.8 mt-30 -75.02 -35.99 61.94 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.47 1.106 . . . . 0.0 110.343 173.322 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 13' ' ' CYS . . . . . 0.668 ' SG ' ' SG ' ' A' ' 7' ' ' CYS . 76.4 m -85.73 -35.93 20.49 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.488 1.118 . . . . 0.0 108.357 -169.553 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 14' ' ' PHE . . . . . 0.598 ' N ' ' CD ' ' A' ' 15' ' ' PRO . 0.1 OUTLIER -59.07 -44.31 98.54 Favored Pre-proline 0 C--N 1.325 -0.486 0 O-C-N 124.437 1.086 . . . . 0.0 111.019 -161.438 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 15' ' ' PRO . . . . . 0.598 ' CD ' ' N ' ' A' ' 14' ' ' PHE . 18.5 Cg_endo -74.95 -34.02 4.2 Favored 'Trans proline' 0 C--N 1.36 1.164 0 O-C-N 124.47 1.774 . . . . 0.0 111.026 179.116 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 0.9 OUTLIER -58.67 -39.53 76.57 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 O-C-N 124.473 1.108 . . . . 0.0 109.358 175.377 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 91.5 m -75.02 -44.65 46.76 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.52 1.138 . . . . 0.0 108.304 -175.199 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 61.0 tttp -63.89 -37.12 86.24 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.447 1.092 . . . . 0.0 109.302 -176.017 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 42.8 t -78.01 -62.8 1.56 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.478 1.111 . . . . 0.0 110.042 -176.537 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 4.3 tmt_? -85.02 -45.34 12.23 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.457 1.098 . . . . 0.0 110.291 -161.523 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 69.6 m-85 -90.93 -20.59 22.02 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.519 1.137 . . . . 0.0 111.0 -173.136 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 75.38 41.93 29.22 Favored Glycine 0 CA--C 1.53 0.974 0 O-C-N 124.41 1.069 . . . . 0.0 110.952 174.22 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -109.69 169.9 8.41 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.463 0.743 . . . . 0.0 109.275 -177.187 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 9.4 p -78.76 -35.9 43.85 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.545 1.153 . . . . 0.0 110.393 -173.398 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 60.9 t30 -157.26 161.92 39.21 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.482 1.114 . . . . 0.0 109.302 -175.995 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -138.61 161.2 25.75 Favored Glycine 0 CA--C 1.53 0.982 0 O-C-N 124.567 1.167 . . . . 0.0 111.004 175.074 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 55.3 ttm-85 -153.23 143.25 22.2 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.471 0.747 . . . . 0.0 110.319 -178.026 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 9.3 t -86.02 99.07 11.21 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.484 1.115 . . . . 0.0 108.258 -175.75 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 99.0 t -98.19 113.45 32.87 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.529 1.143 . . . . 0.0 109.268 -179.756 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 38.0 m-20 58.31 36.3 25.48 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.479 1.112 . . . . 0.0 109.294 172.603 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . 83.49 11.93 79.2 Favored Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.484 1.115 . . . . 0.0 110.976 170.07 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 32' ' ' PHE . . . . . . . . . . . . . 32.9 m-85 -135.18 147.14 49.3 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.466 0.745 . . . . 0.0 110.968 176.113 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 33' ' ' CYS . . . . . . . . . . . . . 84.3 m -74.79 136.47 41.66 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.557 1.161 . . . . 0.0 108.284 -173.311 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 44.2 t0 -124.93 124.87 42.96 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.429 1.081 . . . . 0.0 109.328 172.697 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 35' ' ' CYS . . . . . . . . . . . . . 70.2 m -109.71 132.64 53.96 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.428 1.08 . . . . 0.0 108.222 -172.027 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 36' ' ' PHE . . . . . . . . . . . . . 38.4 p90 . . . . . 0 C--N 1.325 -0.463 0 O-C-N 124.489 1.118 . . . . 0.0 111.027 -177.089 . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 1' ' ' ARG . . . . . . . . . . . . . 1.5 mpp_? . . . . . 0 N--CA 1.454 -0.256 0 N-CA-C 110.215 -0.291 . . . . 0.0 110.215 . . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.08 156.57 42.66 Favored 'Trans proline' 0 C--N 1.362 1.25 0 O-C-N 124.496 1.787 . . . . 0.0 110.996 -163.211 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 22.7 p -132.71 -164.77 1.51 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.495 1.122 . . . . 0.0 110.424 174.477 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 12.6 p-10 -104.05 -5.06 22.49 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.545 1.153 . . . . 0.0 109.252 -175.525 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 5' ' ' ILE . . . . . . . . . . . . . 68.3 mt -77.34 120.61 28.15 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.527 0 O-C-N 124.579 1.174 . . . . 0.0 109.318 -171.192 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 1.9 mmpt? -77.19 146.74 36.86 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.47 1.106 . . . . 0.0 109.271 -177.558 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 7' ' ' CYS . . . . . 0.643 ' SG ' ' SG ' ' A' ' 13' ' ' CYS . 7.1 p -156.41 159.02 38.32 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.514 1.134 . . . . 0.0 108.33 178.119 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 88.4 p -102.0 -23.76 14.07 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.436 1.085 . . . . 0.0 110.059 170.966 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -150.71 159.95 44.17 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.471 1.107 . . . . 0.0 110.251 -164.868 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 63.2 m -79.36 -32.96 43.29 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.481 1.113 . . . . 0.0 110.0 -164.073 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 15.5 p90 -72.8 -10.15 59.47 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.535 1.147 . . . . 0.0 110.973 -176.137 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 53.3 mt-30 -74.63 -35.06 62.89 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.525 1.14 . . . . 0.0 110.244 171.018 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 13' ' ' CYS . . . . . 0.643 ' SG ' ' SG ' ' A' ' 7' ' ' CYS . 79.4 m -85.52 -40.03 16.78 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.468 1.105 . . . . 0.0 108.324 -168.239 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 14' ' ' PHE . . . . . 0.585 ' N ' ' CD ' ' A' ' 15' ' ' PRO . 0.1 OUTLIER -57.95 -44.64 99.52 Favored Pre-proline 0 C--N 1.325 -0.47 0 O-C-N 124.511 1.132 . . . . 0.0 111.003 -161.399 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 15' ' ' PRO . . . . . 0.585 ' CD ' ' N ' ' A' ' 14' ' ' PHE . 17.9 Cg_endo -75.09 -30.65 6.81 Favored 'Trans proline' 0 C--N 1.36 1.142 0 O-C-N 124.441 1.759 . . . . 0.0 110.941 179.562 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 1.1 t -68.5 -36.62 75.51 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.502 1.126 . . . . 0.0 109.313 -177.551 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 91.4 m -74.86 -41.93 58.89 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.531 1.144 . . . . 0.0 108.321 -177.086 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 40.3 tttp -70.21 -29.36 66.17 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.542 1.151 . . . . 0.0 109.294 -175.959 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 42.9 t -76.37 -51.84 11.1 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.453 1.095 . . . . 0.0 109.987 177.195 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 1.3 tpm_? -77.96 -60.64 2.29 Favored 'General case' 0 C--N 1.326 -0.426 0 O-C-N 124.474 1.109 . . . . 0.0 110.374 -168.548 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 36.3 m-85 -94.45 -25.19 17.0 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.494 1.121 . . . . 0.0 111.037 -168.944 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 83.88 25.13 46.67 Favored Glycine 0 CA--C 1.529 0.949 0 O-C-N 124.536 1.147 . . . . 0.0 111.029 178.369 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 30.7 mttp -83.54 165.08 19.39 Favored 'General case' 0 C--N 1.326 -0.43 0 O-C-N 124.508 0.769 . . . . 0.0 109.358 176.977 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 1.4 p -74.67 -35.03 62.8 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.53 1.144 . . . . 0.0 110.395 -167.631 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 6.4 t-20 -160.17 165.69 31.12 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.496 1.122 . . . . 0.0 109.331 -176.548 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -158.71 143.73 9.6 Favored Glycine 0 CA--C 1.529 0.959 0 O-C-N 124.501 1.125 . . . . 0.0 110.998 177.442 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 97.5 mtt180 -143.94 156.08 44.29 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.438 0.729 . . . . 0.0 110.353 -171.044 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 5.2 t -90.78 105.98 18.2 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.511 1.132 . . . . 0.0 108.297 -166.281 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 97.0 t -104.4 112.85 39.63 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.505 1.128 . . . . 0.0 109.294 178.216 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 36.3 m-20 58.22 34.56 24.23 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.421 1.076 . . . . 0.0 109.313 173.042 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . 92.89 -3.0 73.25 Favored Glycine 0 CA--C 1.529 0.968 0 O-C-N 124.464 1.102 . . . . 0.0 111.031 168.675 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 32' ' ' PHE . . . . . . . . . . . . . 54.3 m-85 -124.38 144.56 49.97 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.499 0.764 . . . . 0.0 110.975 -179.305 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 33' ' ' CYS . . . . . . . . . . . . . 91.9 m -70.52 140.62 51.87 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.499 1.124 . . . . 0.0 108.314 -174.772 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 12.1 t70 -131.03 109.92 10.85 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.493 1.12 . . . . 0.0 109.273 178.274 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 35' ' ' CYS . . . . . . . . . . . . . 60.2 m -107.05 137.06 45.84 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.471 1.107 . . . . 0.0 108.328 -163.562 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 36' ' ' PHE . . . . . . . . . . . . . 46.8 p90 . . . . . 0 C--N 1.324 -0.51 0 O-C-N 124.604 1.19 . . . . 0.0 110.979 -177.491 . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 1' ' ' ARG . . . . . . . . . . . . . 68.3 mtt85 . . . . . 0 N--CA 1.453 -0.296 0 N-CA-C 110.254 -0.276 . . . . 0.0 110.254 . . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.96 154.85 42.98 Favored 'Trans proline' 0 C--N 1.359 1.103 0 O-C-N 124.554 1.818 . . . . 0.0 111.028 -178.57 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 31.6 p -126.62 -164.11 1.3 Allowed 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.422 1.076 . . . . 0.0 110.453 172.793 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 36.6 p-10 -108.6 6.28 25.78 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.468 1.105 . . . . 0.0 109.312 -175.863 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 5' ' ' ILE . . . . . . . . . . . . . 74.2 mt -82.42 111.57 19.01 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.535 1.147 . . . . 0.0 109.341 -178.002 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 19.5 ptmt -69.88 153.67 42.98 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.53 1.144 . . . . 0.0 109.355 179.944 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 7' ' ' CYS . . . . . 0.441 ' SG ' ' SG ' ' A' ' 13' ' ' CYS . 8.6 p -160.72 154.73 22.8 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.446 1.092 . . . . 0.0 108.24 -178.191 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 77.6 p -95.37 -29.67 14.32 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.465 1.103 . . . . 0.0 109.978 170.141 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 47.8 mm-40 -149.47 162.19 40.63 Favored 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.556 1.16 . . . . 0.0 110.337 -165.416 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 21.5 m -80.15 -32.81 38.85 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.474 1.109 . . . . 0.0 109.999 -163.732 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 16.0 p90 -69.87 -12.05 61.33 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.5 1.125 . . . . 0.0 111.006 -176.864 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 82.6 mt-30 -75.42 -33.26 60.92 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.505 1.128 . . . . 0.0 110.301 173.633 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 13' ' ' CYS . . . . . 0.441 ' SG ' ' SG ' ' A' ' 7' ' ' CYS . 64.2 m -85.77 -32.91 21.57 Favored 'General case' 0 C--N 1.326 -0.426 0 O-C-N 124.456 1.097 . . . . 0.0 108.316 -170.738 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 14' ' ' PHE . . . . . 0.598 ' N ' ' CD ' ' A' ' 15' ' ' PRO . 0.1 OUTLIER -57.48 -45.26 99.88 Favored Pre-proline 0 C--N 1.325 -0.462 0 O-C-N 124.488 1.117 . . . . 0.0 111.068 -162.08 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 15' ' ' PRO . . . . . 0.598 ' CD ' ' N ' ' A' ' 14' ' ' PHE . 18.6 Cg_endo -74.98 -35.78 2.96 Favored 'Trans proline' 0 C--N 1.36 1.137 0 O-C-N 124.557 1.82 . . . . 0.0 111.025 -179.246 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 0.9 OUTLIER -55.87 -42.95 72.78 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.521 0 O-C-N 124.467 1.105 . . . . 0.0 109.291 174.448 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 96.7 m -75.07 -46.0 37.67 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.484 1.115 . . . . 0.0 108.314 -173.773 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 1.1 tmtp? -63.6 -34.68 78.35 Favored 'General case' 0 C--N 1.326 -0.414 0 O-C-N 124.474 1.108 . . . . 0.0 109.358 -175.37 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 43.2 t -78.24 -65.41 0.98 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.514 1.133 . . . . 0.0 110.015 -176.978 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 3.3 tmm_? -85.07 -40.04 17.27 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.402 1.064 . . . . 0.0 110.276 -159.326 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 74.2 m-85 -92.22 -21.43 20.35 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.462 1.101 . . . . 0.0 111.047 -177.314 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 78.75 26.2 59.1 Favored Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.44 1.087 . . . . 0.0 110.998 174.485 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 18.7 mmtt -85.17 174.55 9.57 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.523 0.778 . . . . 0.0 109.301 -177.352 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 7.3 p -78.1 -43.13 29.9 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.414 1.071 . . . . 0.0 110.457 177.942 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 48.0 t30 -163.02 161.5 25.49 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.486 1.116 . . . . 0.0 109.306 -175.86 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -138.94 169.73 24.31 Favored Glycine 0 CA--C 1.53 0.987 0 O-C-N 124.568 1.168 . . . . 0.0 111.023 177.204 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 12.2 ptm85 -156.88 156.96 34.02 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.497 0.763 . . . . 0.0 110.31 -178.593 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 5.1 t -91.49 109.12 20.41 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.502 1.126 . . . . 0.0 108.327 -173.053 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 90.9 t -102.95 111.81 34.1 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.558 1.161 . . . . 0.0 109.312 176.504 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 37.0 m-20 57.86 36.86 26.73 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.467 1.104 . . . . 0.0 109.219 171.604 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . 85.34 10.88 76.59 Favored Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.529 1.143 . . . . 0.0 110.944 169.592 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 32' ' ' PHE . . . . . . . . . . . . . 44.0 m-85 -140.16 145.63 37.76 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.519 0.776 . . . . 0.0 110.945 176.867 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 33' ' ' CYS . . . . . . . . . . . . . 90.6 m -71.95 147.49 46.93 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.517 1.136 . . . . 0.0 108.284 -166.913 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 11.4 t0 -137.86 121.27 17.11 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.475 1.109 . . . . 0.0 109.277 172.849 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 35' ' ' CYS . . . . . . . . . . . . . 52.7 m -105.99 134.36 49.25 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.532 1.145 . . . . 0.0 108.279 -170.868 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 36' ' ' PHE . . . . . . . . . . . . . 52.6 p90 . . . . . 0 C--N 1.325 -0.5 0 O-C-N 124.461 1.101 . . . . 0.0 111.024 -177.384 . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 1' ' ' ARG . . . . . . . . . . . . . 39.0 mtp-105 . . . . . 0 N--CA 1.453 -0.312 0 N-CA-C 110.272 -0.269 . . . . 0.0 110.272 . . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.06 146.48 32.49 Favored 'Trans proline' 0 C--N 1.36 1.177 0 O-C-N 124.455 1.766 . . . . 0.0 111.021 165.517 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 32.2 p -123.98 -164.44 1.24 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.557 1.161 . . . . 0.0 110.364 -177.969 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 15.5 p-10 -104.51 -1.32 26.79 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.446 1.091 . . . . 0.0 109.325 -174.843 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 5' ' ' ILE . . . . . . . . . . . . . 82.3 mt -77.37 119.92 26.87 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.437 0 O-C-N 124.436 1.085 . . . . 0.0 109.297 -173.7 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 64.5 mttp -79.37 150.64 31.33 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.451 1.095 . . . . 0.0 109.262 -176.074 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 7' ' ' CYS . . . . . 0.728 ' SG ' ' SG ' ' A' ' 13' ' ' CYS . 5.5 p -158.28 154.99 28.06 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.532 1.145 . . . . 0.0 108.289 179.743 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 88.1 p -99.55 -26.88 13.95 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.492 1.12 . . . . 0.0 109.973 171.83 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 49.2 mt-10 -149.28 161.4 42.12 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.502 1.126 . . . . 0.0 110.298 -165.864 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 57.9 m -80.43 -34.51 36.06 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.483 1.114 . . . . 0.0 109.97 -159.155 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 23.2 p90 -72.65 -7.03 48.32 Favored 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.499 1.124 . . . . 0.0 111.028 -175.778 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 63.0 mt-30 -74.29 -38.68 63.31 Favored 'General case' 0 C--N 1.326 -0.424 0 O-C-N 124.494 1.121 . . . . 0.0 110.279 168.838 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 13' ' ' CYS . . . . . 0.728 ' SG ' ' SG ' ' A' ' 7' ' ' CYS . 76.5 m -85.67 -40.04 16.6 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.592 1.183 . . . . 0.0 108.349 -168.644 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 14' ' ' PHE . . . . . 0.595 ' N ' ' CD ' ' A' ' 15' ' ' PRO . 0.1 OUTLIER -57.82 -44.95 99.8 Favored Pre-proline 0 C--N 1.325 -0.483 0 O-C-N 124.511 1.132 . . . . 0.0 111.042 -161.659 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 15' ' ' PRO . . . . . 0.595 ' CD ' ' N ' ' A' ' 14' ' ' PHE . 18.1 Cg_endo -75.03 -29.61 8.0 Favored 'Trans proline' 0 C--N 1.36 1.148 0 O-C-N 124.406 1.74 . . . . 0.0 110.969 -178.811 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 1.0 OUTLIER -68.08 -35.59 72.21 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.525 0 O-C-N 124.459 1.099 . . . . 0.0 109.248 178.667 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 69.0 m -72.87 -45.54 57.71 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.534 1.146 . . . . 0.0 108.368 179.576 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 14.8 tmtt? -65.15 -35.25 80.5 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.523 1.139 . . . . 0.0 109.29 -175.39 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 43.4 t -79.27 -61.5 1.99 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.585 1.178 . . . . 0.0 110.007 -176.97 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 4.4 tmt_? -83.43 -46.22 12.76 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.484 1.115 . . . . 0.0 110.333 -161.593 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 75.2 m-85 -90.76 -21.6 21.47 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.528 1.142 . . . . 0.0 110.974 -175.922 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 80.47 25.12 57.56 Favored Glycine 0 CA--C 1.531 1.051 0 O-C-N 124.503 1.127 . . . . 0.0 111.033 172.195 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 2.4 mtpt -87.32 174.39 8.59 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.6 0.823 . . . . 0.0 109.276 -177.154 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 1.3 p -74.89 -38.2 61.92 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.522 1.139 . . . . 0.0 110.365 -177.242 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 5.3 t-20 -163.31 166.98 22.45 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.458 1.099 . . . . 0.0 109.336 -173.05 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -147.7 163.77 28.8 Favored Glycine 0 CA--C 1.531 1.071 0 O-C-N 124.514 1.134 . . . . 0.0 111.014 176.612 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 74.5 ttt180 -153.85 145.81 23.58 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.515 0.774 . . . . 0.0 110.267 -177.677 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 12.5 t -83.77 102.01 12.0 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.583 1.177 . . . . 0.0 108.356 -177.308 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 96.0 t -97.97 111.0 26.71 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.493 1.121 . . . . 0.0 109.287 179.549 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 37.5 m-20 58.35 37.25 25.91 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.477 1.11 . . . . 0.0 109.349 170.981 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . 87.27 8.52 74.7 Favored Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.546 1.154 . . . . 0.0 110.96 169.14 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 32' ' ' PHE . . . . . . . . . . . . . 45.7 m-85 -136.65 145.59 44.98 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.546 0.792 . . . . 0.0 110.942 177.366 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 33' ' ' CYS . . . . . . . . . . . . . 94.0 m -72.76 140.07 47.51 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.48 1.113 . . . . 0.0 108.302 -172.577 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 10.5 t70 -132.56 126.62 33.24 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.474 1.109 . . . . 0.0 109.35 172.204 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 35' ' ' CYS . . . . . . . . . . . . . 38.6 m -104.52 144.37 31.77 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.519 1.137 . . . . 0.0 108.302 -174.645 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 36' ' ' PHE . . . . . . . . . . . . . 30.9 p90 . . . . . 0 C--N 1.325 -0.475 0 O-C-N 124.476 1.11 . . . . 0.0 110.998 177.671 . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 1' ' ' ARG . . . . . . . . . . . . . 39.2 ptt180 . . . . . 0 N--CA 1.452 -0.338 0 N-CA-C 110.292 -0.262 . . . . 0.0 110.292 . . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.9 155.19 43.42 Favored 'Trans proline' 0 C--N 1.361 1.192 0 O-C-N 124.554 1.818 . . . . 0.0 111.032 175.106 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 33.7 p -133.06 -165.37 1.6 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.483 1.115 . . . . 0.0 110.389 -174.259 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 8.3 p-10 -97.82 -8.6 28.07 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.494 1.121 . . . . 0.0 109.359 -174.976 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 5' ' ' ILE . . . . . . . . . . . . . 68.2 mt -81.73 117.36 27.59 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.501 1.126 . . . . 0.0 109.297 -168.087 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 55.6 tttm -80.09 145.07 32.61 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.421 1.075 . . . . 0.0 109.237 176.315 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 7' ' ' CYS . . . . . 0.545 ' SG ' ' SG ' ' A' ' 13' ' ' CYS . 8.6 p -152.01 158.4 43.02 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.507 1.129 . . . . 0.0 108.314 -177.261 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 88.1 p -102.37 -21.29 14.31 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.494 1.121 . . . . 0.0 110.059 172.54 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -152.7 161.28 42.77 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.516 1.135 . . . . 0.0 110.242 -168.737 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 66.4 m -80.17 -33.24 38.5 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.525 1.141 . . . . 0.0 109.966 -164.391 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 14.6 p90 -71.15 -11.09 60.75 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.493 1.12 . . . . 0.0 110.996 -177.093 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 76.5 mt-30 -75.77 -29.84 58.93 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.425 1.078 . . . . 0.0 110.278 172.626 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 13' ' ' CYS . . . . . 0.545 ' SG ' ' SG ' ' A' ' 7' ' ' CYS . 83.2 m -85.4 -39.9 17.07 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.517 1.135 . . . . 0.0 108.29 -170.808 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 14' ' ' PHE . . . . . 0.586 ' N ' ' CD ' ' A' ' 15' ' ' PRO . 0.0 OUTLIER -56.2 -46.03 99.84 Favored Pre-proline 0 C--N 1.325 -0.469 0 O-C-N 124.523 1.14 . . . . 0.0 110.996 -161.559 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 15' ' ' PRO . . . . . 0.586 ' CD ' ' N ' ' A' ' 14' ' ' PHE . 18.2 Cg_endo -75.01 -29.9 7.71 Favored 'Trans proline' 0 C--N 1.36 1.166 0 O-C-N 124.534 1.807 . . . . 0.0 111.042 -178.607 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 1.1 t -69.76 -35.65 66.34 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.439 0 O-C-N 124.506 1.128 . . . . 0.0 109.325 -179.221 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 83.1 m -73.5 -37.37 65.72 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.523 1.14 . . . . 0.0 108.292 -177.699 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 37.7 ttpt -70.0 -32.56 70.8 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.445 1.091 . . . . 0.0 109.3 -179.95 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 44.4 t -72.69 -51.25 20.1 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.46 1.1 . . . . 0.0 110.021 179.3 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 68.5 ttt180 -83.65 -59.67 2.36 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.499 1.124 . . . . 0.0 110.291 -166.58 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 46.1 m-85 -94.26 -20.9 19.39 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.377 1.048 . . . . 0.0 111.072 -170.076 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 81.46 24.95 55.58 Favored Glycine 0 CA--C 1.53 0.986 0 O-C-N 124.545 1.153 . . . . 0.0 110.984 -177.436 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 94.3 mttt -91.18 159.72 15.92 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.477 0.751 . . . . 0.0 109.246 -177.5 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 7.4 p -75.0 -41.45 59.47 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.505 1.128 . . . . 0.0 110.39 -166.314 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 4.0 t-20 -159.95 164.95 32.96 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.483 1.114 . . . . 0.0 109.286 -175.832 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -146.37 159.41 27.97 Favored Glycine 0 CA--C 1.53 0.989 0 O-C-N 124.426 1.079 . . . . 0.0 110.995 177.596 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 59.0 ttt85 -129.93 138.69 51.02 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.488 0.758 . . . . 0.0 110.322 -177.957 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 6.2 t -81.74 91.82 6.53 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.482 1.114 . . . . 0.0 108.31 -175.38 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 78.1 t -94.9 118.12 40.28 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.515 0 O-C-N 124.48 1.113 . . . . 0.0 109.313 -178.354 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 34.5 m-20 57.24 33.92 24.01 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.462 1.101 . . . . 0.0 109.268 176.854 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . 82.23 13.58 78.59 Favored Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.545 1.153 . . . . 0.0 111.036 170.583 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 32' ' ' PHE . . . . . . . . . . . . . 25.4 m-85 -140.06 147.82 40.88 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.476 0.75 . . . . 0.0 111.038 177.641 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 33' ' ' CYS . . . . . . . . . . . . . 80.2 m -74.33 137.87 43.12 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.539 1.149 . . . . 0.0 108.28 -166.712 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 51.4 t0 -124.76 111.83 16.0 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.515 1.135 . . . . 0.0 109.345 170.218 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 35' ' ' CYS . . . . . . . . . . . . . 75.9 m -102.49 143.65 31.93 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.421 1.075 . . . . 0.0 108.33 -165.634 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 36' ' ' PHE . . . . . . . . . . . . . 16.5 p90 . . . . . 0 C--N 1.324 -0.509 0 O-C-N 124.51 1.131 . . . . 0.0 110.976 -178.857 . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' 1' ' ' ARG . . . . . . . . . . . . . 13.4 ptp180 . . . . . 0 N--CA 1.453 -0.29 0 N-CA-C 110.344 -0.243 . . . . 0.0 110.344 . . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.03 144.46 30.19 Favored 'Trans proline' 0 C--N 1.36 1.178 0 O-C-N 124.539 1.81 . . . . 0.0 110.994 165.336 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 52.3 p -126.98 -159.58 0.94 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.496 1.123 . . . . 0.0 110.393 -177.852 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 19.2 p-10 -127.37 20.04 6.81 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.553 1.158 . . . . 0.0 109.314 170.491 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 5' ' ' ILE . . . . . . . . . . . . . 57.8 mt -74.48 113.34 12.84 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.478 1.111 . . . . 0.0 109.33 177.074 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 84.5 tttt -75.12 144.44 42.84 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.425 1.078 . . . . 0.0 109.267 -170.004 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 7' ' ' CYS . . . . . 0.505 ' SG ' ' SG ' ' A' ' 13' ' ' CYS . 6.3 p -154.99 156.19 35.55 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.522 1.139 . . . . 0.0 108.303 -178.066 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 91.1 p -98.37 -26.43 14.49 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.464 1.102 . . . . 0.0 110.092 171.228 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 3.5 mm-40 -149.88 161.01 43.11 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.503 1.127 . . . . 0.0 110.31 -164.844 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 37.5 m -80.0 -33.64 39.15 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.52 1.137 . . . . 0.0 109.978 -163.437 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 16.1 p90 -70.53 -10.89 60.36 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.519 1.137 . . . . 0.0 110.944 -176.423 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 75.0 mt-30 -75.01 -33.6 61.83 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.512 1.132 . . . . 0.0 110.281 173.245 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 13' ' ' CYS . . . . . 0.505 ' SG ' ' SG ' ' A' ' 7' ' ' CYS . 84.8 m -85.71 -35.42 20.85 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.449 1.093 . . . . 0.0 108.268 -169.939 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 14' ' ' PHE . . . . . 0.587 ' N ' ' CD ' ' A' ' 15' ' ' PRO . 0.1 OUTLIER -58.25 -44.82 99.58 Favored Pre-proline 0 C--N 1.324 -0.513 0 O-C-N 124.563 1.165 . . . . 0.0 111.009 -162.225 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 15' ' ' PRO . . . . . 0.587 ' CD ' ' N ' ' A' ' 14' ' ' PHE . 18.4 Cg_endo -75.05 -34.07 4.06 Favored 'Trans proline' 0 C--N 1.36 1.14 0 O-C-N 124.483 1.781 . . . . 0.0 111.011 179.298 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 0.9 OUTLIER -58.92 -39.81 78.74 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.554 1.159 . . . . 0.0 109.335 176.017 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 93.5 m -75.23 -41.01 58.52 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.535 1.147 . . . . 0.0 108.361 -174.274 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 28.2 ttpp -66.61 -31.87 72.85 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.493 1.121 . . . . 0.0 109.225 -178.196 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 44.4 t -76.22 -50.05 15.5 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.415 1.072 . . . . 0.0 109.953 179.567 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 49.5 tpt85 -79.2 -58.37 3.26 Favored 'General case' 0 C--N 1.324 -0.533 0 O-C-N 124.536 1.148 . . . . 0.0 110.285 -167.557 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 68.4 m-85 -99.76 -19.99 16.46 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.408 1.067 . . . . 0.0 110.961 -168.667 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 78.11 27.86 57.3 Favored Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.521 1.138 . . . . 0.0 110.977 -177.513 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 25.0 mmtt -81.47 170.76 15.54 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.52 0.776 . . . . 0.0 109.346 -179.218 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 8.2 p -87.12 -31.1 20.6 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.495 1.122 . . . . 0.0 110.429 -169.485 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 55.2 t30 -164.48 157.72 17.54 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.518 1.136 . . . . 0.0 109.287 -179.138 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -142.65 147.48 18.94 Favored Glycine 0 CA--C 1.53 1.023 0 O-C-N 124.487 1.117 . . . . 0.0 111.028 177.726 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 99.7 mtt180 -135.21 153.47 51.93 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.571 0.807 . . . . 0.0 110.282 -177.092 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 9.0 t -90.59 97.03 10.94 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.441 1.088 . . . . 0.0 108.274 -172.491 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 97.9 t -95.05 113.21 28.97 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 O-C-N 124.532 1.145 . . . . 0.0 109.282 -178.433 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 33.1 m-20 58.1 35.71 25.35 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.487 1.117 . . . . 0.0 109.306 174.411 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . 84.35 10.04 80.72 Favored Glycine 0 CA--C 1.53 0.98 0 O-C-N 124.469 1.106 . . . . 0.0 111.026 170.742 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 32' ' ' PHE . . . . . . . . . . . . . 73.3 m-85 -138.44 145.17 40.59 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.428 0.722 . . . . 0.0 110.998 178.557 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 33' ' ' CYS . . . . . . . . . . . . . 82.4 m -70.93 142.9 51.08 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.455 1.097 . . . . 0.0 108.3 -169.727 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 61.4 t0 -136.62 127.17 26.91 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.519 1.137 . . . . 0.0 109.307 168.142 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 35' ' ' CYS . . . . . . . . . . . . . 33.9 m -109.71 145.6 36.3 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.498 1.124 . . . . 0.0 108.299 -167.869 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 36' ' ' PHE . . . . . . . . . . . . . 42.6 p90 . . . . . 0 C--N 1.325 -0.482 0 O-C-N 124.504 1.128 . . . . 0.0 111.016 -179.997 . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' 1' ' ' ARG . . . . . . . . . . . . . 6.1 ptm180 . . . . . 0 N--CA 1.453 -0.307 0 N-CA-C 110.337 -0.246 . . . . 0.0 110.337 . . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 18.7 Cg_endo -74.92 164.99 32.32 Favored 'Trans proline' 0 C--N 1.36 1.14 0 O-C-N 124.529 1.805 . . . . 0.0 111.058 171.85 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 13.2 p -132.59 -163.49 1.35 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.511 1.132 . . . . 0.0 110.46 171.764 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 16.0 p-10 -114.25 4.2 15.39 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.459 1.099 . . . . 0.0 109.329 -179.094 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 5' ' ' ILE . . . . . . . . . . . . . 85.5 mt -79.84 119.6 29.58 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.473 1.108 . . . . 0.0 109.309 -173.977 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 17.2 tptm -78.65 139.15 38.56 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.455 1.097 . . . . 0.0 109.322 -176.741 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 7' ' ' CYS . . . . . 0.617 ' SG ' ' SG ' ' A' ' 13' ' ' CYS . 8.1 p -151.9 158.17 42.83 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.52 1.138 . . . . 0.0 108.28 -178.796 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 90.6 p -95.23 -31.03 13.68 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.555 1.159 . . . . 0.0 110.038 167.765 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 23.9 mt-10 -149.08 159.94 43.78 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.451 1.095 . . . . 0.0 110.253 -156.261 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 73.6 m -78.3 -32.96 49.6 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.491 1.119 . . . . 0.0 109.985 -161.926 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 13.4 p90 -70.98 -14.03 62.21 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.532 1.145 . . . . 0.0 111.089 -175.387 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 52.8 mt-30 -72.37 -35.92 68.6 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.477 1.111 . . . . 0.0 110.338 172.415 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 13' ' ' CYS . . . . . 0.617 ' SG ' ' SG ' ' A' ' 7' ' ' CYS . 83.9 m -85.69 -40.0 16.62 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.427 1.079 . . . . 0.0 108.296 -166.909 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 14' ' ' PHE . . . . . 0.584 ' N ' ' CD ' ' A' ' 15' ' ' PRO . 0.1 OUTLIER -58.46 -44.89 99.6 Favored Pre-proline 0 C--N 1.324 -0.521 0 O-C-N 124.552 1.158 . . . . 0.0 110.998 -161.022 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 15' ' ' PRO . . . . . 0.584 ' CD ' ' N ' ' A' ' 14' ' ' PHE . 18.2 Cg_endo -75.02 -30.32 7.26 Favored 'Trans proline' 0 C--N 1.361 1.207 0 O-C-N 124.47 1.774 . . . . 0.0 111.035 179.834 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 1.1 t -68.03 -35.96 73.71 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.515 1.135 . . . . 0.0 109.284 -179.514 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 69.6 m -73.79 -39.7 63.94 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.484 1.115 . . . . 0.0 108.313 -176.366 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 64.7 tttm -69.89 -34.06 73.04 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.548 1.155 . . . . 0.0 109.348 -178.055 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 47.2 t -73.57 -49.38 26.62 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.484 1.115 . . . . 0.0 109.979 179.88 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 1.2 tpm_? -80.84 -61.8 1.86 Allowed 'General case' 0 C--N 1.326 -0.432 0 O-C-N 124.439 1.087 . . . . 0.0 110.26 -167.547 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 79.5 m-85 -99.15 -9.18 24.1 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.471 1.107 . . . . 0.0 110.953 -167.021 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 73.67 25.68 71.53 Favored Glycine 0 CA--C 1.53 1.017 0 O-C-N 124.495 1.122 . . . . 0.0 110.979 177.635 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 24.6 mmtt -81.15 162.63 23.57 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.509 0.77 . . . . 0.0 109.314 -178.458 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 6.1 p -74.99 -36.02 62.02 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.474 1.109 . . . . 0.0 110.409 -172.467 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 10.4 t-20 -162.14 164.16 28.08 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.541 1.151 . . . . 0.0 109.268 -177.923 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -150.01 160.1 28.38 Favored Glycine 0 CA--C 1.531 1.036 0 O-C-N 124.429 1.081 . . . . 0.0 111.015 177.287 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 16.7 ptp180 -153.37 160.36 42.63 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.455 0.738 . . . . 0.0 110.345 -179.539 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 5.9 t -92.26 109.67 21.05 Favored 'General case' 0 C--N 1.324 -0.534 0 O-C-N 124.563 1.165 . . . . 0.0 108.258 -169.674 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 95.8 t -104.63 111.35 33.81 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.454 1.096 . . . . 0.0 109.326 178.414 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 36.9 m-20 58.13 36.32 25.78 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.482 1.114 . . . . 0.0 109.257 171.746 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . 91.32 0.13 74.0 Favored Glycine 0 CA--C 1.53 0.991 0 O-C-N 124.462 1.101 . . . . 0.0 111.001 168.572 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 32' ' ' PHE . . . . . . . . . . . . . 52.9 m-85 -133.05 143.63 49.5 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.48 0.753 . . . . 0.0 111.01 179.904 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 33' ' ' CYS . . . . . 0.426 ' SG ' ' SG ' ' A' ' 7' ' ' CYS . 87.4 m -71.68 144.02 49.5 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.447 1.092 . . . . 0.0 108.29 -168.884 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 13.2 t70 -131.51 120.17 22.57 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.491 1.12 . . . . 0.0 109.333 173.405 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 35' ' ' CYS . . . . . . . . . . . . . 40.0 m -105.24 141.79 36.16 Favored 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.504 1.128 . . . . 0.0 108.343 -170.425 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 36' ' ' PHE . . . . . . . . . . . . . 45.3 p90 . . . . . 0 C--N 1.323 -0.553 0 O-C-N 124.469 1.105 . . . . 0.0 111.017 178.437 . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' 1' ' ' ARG . . . . . . . . . . . . . 18.9 mmm180 . . . . . 0 N--CA 1.454 -0.26 0 N-CA-C 110.366 -0.235 . . . . 0.0 110.366 . . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.03 155.74 42.79 Favored 'Trans proline' 0 C--N 1.359 1.127 0 O-C-N 124.495 1.787 . . . . 0.0 111.005 -178.353 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 10.7 p -129.39 -159.61 0.97 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.471 1.107 . . . . 0.0 110.432 172.862 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 7.1 p-10 -127.37 20.06 6.8 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.486 1.116 . . . . 0.0 109.312 175.608 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 5' ' ' ILE . . . . . . . . . . . . . 76.5 mt -80.87 113.32 20.12 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.471 1.107 . . . . 0.0 109.257 176.661 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 63.4 tttm -72.38 144.22 48.3 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.481 1.113 . . . . 0.0 109.321 -172.956 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 7' ' ' CYS . . . . . 0.53 ' SG ' ' SG ' ' A' ' 13' ' ' CYS . 6.3 p -155.79 154.95 32.17 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.489 1.118 . . . . 0.0 108.296 -178.519 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 63.8 p -96.14 -29.02 14.3 Favored 'General case' 0 C--N 1.324 -0.531 0 O-C-N 124.586 1.179 . . . . 0.0 110.018 170.654 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 48.3 mm-40 -149.4 162.56 39.85 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.466 1.104 . . . . 0.0 110.324 -165.133 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 42.4 m -80.14 -33.27 38.66 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.499 1.124 . . . . 0.0 109.984 -163.711 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 17.7 p90 -70.34 -11.75 61.12 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.435 1.085 . . . . 0.0 111.01 -177.073 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 85.8 mt-30 -76.41 -31.87 58.19 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.53 1.144 . . . . 0.0 110.3 173.827 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 13' ' ' CYS . . . . . 0.53 ' SG ' ' SG ' ' A' ' 7' ' ' CYS . 73.1 m -85.38 -40.07 16.89 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.536 1.147 . . . . 0.0 108.279 -170.296 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 14' ' ' PHE . . . . . 0.588 ' N ' ' CD ' ' A' ' 15' ' ' PRO . 0.1 OUTLIER -58.27 -44.91 99.66 Favored Pre-proline 0 C--N 1.326 -0.441 0 O-C-N 124.485 1.115 . . . . 0.0 111.026 -160.71 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 15' ' ' PRO . . . . . 0.588 ' CD ' ' N ' ' A' ' 14' ' ' PHE . 18.5 Cg_endo -74.93 -29.94 7.82 Favored 'Trans proline' 0 C--N 1.36 1.156 0 O-C-N 124.439 1.758 . . . . 0.0 111.019 -179.56 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 1.0 OUTLIER -68.41 -36.36 74.54 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.432 1.082 . . . . 0.0 109.335 179.718 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 93.6 m -75.16 -39.82 60.05 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.449 1.093 . . . . 0.0 108.331 -177.539 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 28.2 ttpp -67.05 -34.24 77.26 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.542 1.151 . . . . 0.0 109.233 -179.089 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 47.1 t -74.14 -50.15 20.68 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.551 1.157 . . . . 0.0 109.994 179.826 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 26.6 tpt180 -79.67 -60.36 2.38 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.51 1.131 . . . . 0.0 110.308 -168.35 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 45.7 m-85 -96.79 -21.2 17.68 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.482 1.114 . . . . 0.0 111.027 -168.109 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 79.19 29.16 51.52 Favored Glycine 0 CA--C 1.529 0.939 0 O-C-N 124.579 1.175 . . . . 0.0 111.012 -178.635 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 8.7 mmtp -80.14 164.2 23.51 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.511 0.771 . . . . 0.0 109.324 179.994 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 6.6 p -75.73 -38.55 58.42 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.493 1.12 . . . . 0.0 110.399 -175.247 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 60.4 t30 -157.57 159.57 37.25 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.483 1.115 . . . . 0.0 109.247 -178.224 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -148.11 146.67 16.55 Favored Glycine 0 CA--C 1.531 1.045 0 O-C-N 124.497 1.123 . . . . 0.0 110.995 174.461 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 94.3 mtt-85 -139.67 156.03 47.06 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.578 0.811 . . . . 0.0 110.224 -175.439 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 8.4 t -89.67 102.95 15.64 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.536 1.147 . . . . 0.0 108.286 -169.674 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 98.2 t -97.64 109.97 24.5 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.485 1.116 . . . . 0.0 109.315 179.313 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 34.4 m-20 58.47 36.61 25.42 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.484 1.115 . . . . 0.0 109.287 172.094 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . 88.39 5.95 74.88 Favored Glycine 0 CA--C 1.53 1.018 0 O-C-N 124.597 1.186 . . . . 0.0 110.997 169.557 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 32' ' ' PHE . . . . . . . . . . . . . 79.8 m-85 -138.33 143.64 40.0 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.5 0.765 . . . . 0.0 110.984 178.312 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 33' ' ' CYS . . . . . . . . . . . . . 74.3 m -70.45 144.98 51.29 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.572 1.17 . . . . 0.0 108.273 -168.38 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 10.8 t0 -129.02 121.72 28.51 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.455 1.097 . . . . 0.0 109.338 167.924 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 35' ' ' CYS . . . . . . . . . . . . . 61.7 m -111.55 126.04 54.56 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.452 1.095 . . . . 0.0 108.307 -167.713 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 36' ' ' PHE . . . . . . . . . . . . . 45.8 p90 . . . . . 0 C--N 1.324 -0.507 0 O-C-N 124.53 1.144 . . . . 0.0 110.987 -172.783 . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo . . . . . 0 N--CA 1.454 -0.841 0 N-CA-C 110.926 -0.452 . . . . 0.0 110.926 . . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 46.0 p -127.12 -161.28 1.06 Allowed 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.57 1.169 . . . . 0.0 110.393 -179.772 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 41.9 p-10 -118.41 11.23 12.95 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.511 1.132 . . . . 0.0 109.307 173.808 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 5' ' ' ILE . . . . . . . . . . . . . 50.8 mt -74.71 112.47 12.03 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.443 0 O-C-N 124.519 1.137 . . . . 0.0 109.284 178.809 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 38.3 ttpt -73.22 145.41 46.24 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.422 1.076 . . . . 0.0 109.28 -172.556 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 7' ' ' CYS . . . . . 0.551 ' SG ' ' SG ' ' A' ' 13' ' ' CYS . 11.2 p -153.13 154.22 34.35 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.499 1.124 . . . . 0.0 108.255 179.328 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 7.9 p -100.48 -23.7 14.66 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.581 1.175 . . . . 0.0 110.038 173.252 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 4.3 mp0 -149.55 163.7 37.12 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.561 1.163 . . . . 0.0 110.282 -173.005 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 19.8 m -80.06 -33.12 39.25 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.502 1.126 . . . . 0.0 110.013 -165.502 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 16.5 p90 -72.1 -9.72 58.8 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.443 1.089 . . . . 0.0 111.013 -177.174 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 70.5 mt-30 -78.04 -28.83 49.06 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.532 1.145 . . . . 0.0 110.291 173.189 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 13' ' ' CYS . . . . . 0.551 ' SG ' ' SG ' ' A' ' 7' ' ' CYS . 74.6 m -85.48 -38.97 18.0 Favored 'General case' 0 C--N 1.326 -0.432 0 O-C-N 124.469 1.105 . . . . 0.0 108.292 -172.494 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 14' ' ' PHE . . . . . 0.591 ' N ' ' CD ' ' A' ' 15' ' ' PRO . 0.1 OUTLIER -55.99 -46.19 99.8 Favored Pre-proline 0 C--N 1.325 -0.495 0 O-C-N 124.454 1.097 . . . . 0.0 110.929 -162.103 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 15' ' ' PRO . . . . . 0.591 ' CD ' ' N ' ' A' ' 14' ' ' PHE . 18.5 Cg_endo -74.97 -29.69 8.01 Favored 'Trans proline' 0 C--N 1.359 1.119 0 O-C-N 124.561 1.822 . . . . 0.0 111.109 -177.543 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 1.1 t -68.66 -36.58 75.1 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 O-C-N 124.485 1.115 . . . . 0.0 109.3 178.72 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 93.1 m -75.0 -41.15 60.03 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.452 1.095 . . . . 0.0 108.299 -177.467 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 14.8 tmtt? -65.55 -36.3 83.38 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.484 1.115 . . . . 0.0 109.302 -179.35 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 42.6 t -72.06 -51.5 21.33 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.499 1.124 . . . . 0.0 110.008 -179.447 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 9.2 tpm_? -79.89 -57.9 3.43 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.541 1.15 . . . . 0.0 110.243 -166.924 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 40.3 m-85 -97.91 -20.88 17.19 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.386 1.054 . . . . 0.0 111.017 -167.838 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 80.62 27.27 51.75 Favored Glycine 0 CA--C 1.529 0.932 0 O-C-N 124.458 1.099 . . . . 0.0 111.027 -178.45 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 25.2 mmtt -80.41 172.49 13.69 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.474 0.749 . . . . 0.0 109.341 179.669 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 7.4 p -89.72 -31.95 17.22 Favored 'General case' 0 C--N 1.324 -0.536 0 O-C-N 124.545 1.153 . . . . 0.0 110.326 -170.447 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 38.4 t-20 -163.51 160.41 23.17 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.477 1.11 . . . . 0.0 109.296 -176.32 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -139.28 158.15 25.26 Favored Glycine 0 CA--C 1.529 0.96 0 O-C-N 124.474 1.109 . . . . 0.0 111.062 178.049 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 19.1 ptt180 -151.79 142.71 23.02 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.518 0.775 . . . . 0.0 110.282 -175.644 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 3.9 t -88.04 104.37 16.59 Favored 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.485 1.116 . . . . 0.0 108.324 -168.935 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 91.7 t -99.73 112.57 32.49 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.503 1.127 . . . . 0.0 109.33 177.527 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 34.7 m-20 58.1 35.11 24.87 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.576 1.173 . . . . 0.0 109.273 173.21 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . 83.77 12.13 78.1 Favored Glycine 0 CA--C 1.531 1.043 0 O-C-N 124.446 1.091 . . . . 0.0 110.942 171.012 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 32' ' ' PHE . . . . . . . . . . . . . 73.2 m-85 -137.35 145.57 43.5 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.531 0.783 . . . . 0.0 111.009 177.525 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 33' ' ' CYS . . . . . . . . . . . . . 84.0 m -71.33 139.39 49.87 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.478 1.111 . . . . 0.0 108.255 -167.472 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 27.1 t70 -124.95 119.28 28.29 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.497 1.123 . . . . 0.0 109.345 167.981 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 35' ' ' CYS . . . . . . . . . . . . . 56.6 m -105.04 140.69 37.85 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.527 1.142 . . . . 0.0 108.313 -171.085 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 36' ' ' PHE . . . . . . . . . . . . . 32.5 p90 . . . . . 0 C--N 1.325 -0.475 0 O-C-N 124.547 1.154 . . . . 0.0 111.033 -178.75 . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo . . . . . 0 N--CA 1.453 -0.872 0 N-CA-C 111.037 -0.409 . . . . 0.0 111.037 . . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 32.0 p -126.95 -164.54 1.36 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.523 1.14 . . . . 0.0 110.413 174.803 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 38.1 p-10 -110.44 6.19 21.97 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.381 1.051 . . . . 0.0 109.28 -174.725 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 5' ' ' ILE . . . . . . . . . . . . . 80.1 mt -81.03 110.98 17.1 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.524 1.14 . . . . 0.0 109.306 -178.284 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 58.1 pttt -69.79 153.75 42.91 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.449 1.093 . . . . 0.0 109.279 -179.022 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 7.6 p -161.99 156.06 21.77 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.517 1.136 . . . . 0.0 108.295 -178.317 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 93.3 p -96.35 -29.28 14.06 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.507 1.13 . . . . 0.0 109.969 169.671 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 38.6 mm-40 -149.57 162.11 40.83 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.531 1.145 . . . . 0.0 110.285 -165.134 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 51.8 m -80.2 -32.62 38.58 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.491 1.119 . . . . 0.0 110.011 -163.838 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 16.0 p90 -71.08 -11.54 61.01 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.508 1.13 . . . . 0.0 110.993 -177.004 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 78.0 mt-30 -75.74 -30.37 59.18 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.519 1.137 . . . . 0.0 110.292 173.062 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 81.0 m -85.4 -40.07 16.88 Favored 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.507 1.129 . . . . 0.0 108.261 -170.182 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 14' ' ' PHE . . . . . 0.591 ' N ' ' CD ' ' A' ' 15' ' ' PRO . 0.1 OUTLIER -56.71 -45.64 99.92 Favored Pre-proline 0 C--N 1.325 -0.496 0 O-C-N 124.554 1.159 . . . . 0.0 110.994 -161.809 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 15' ' ' PRO . . . . . 0.591 ' CD ' ' N ' ' A' ' 14' ' ' PHE . 18.1 Cg_endo -75.0 -29.79 7.85 Favored 'Trans proline' 0 C--N 1.36 1.171 0 O-C-N 124.529 1.805 . . . . 0.0 110.962 -178.678 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 1.1 t -68.66 -36.03 72.66 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.515 0 O-C-N 124.531 1.144 . . . . 0.0 109.271 179.647 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 73.7 m -75.0 -38.14 61.68 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.531 1.144 . . . . 0.0 108.265 -176.502 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 14.8 tmtt? -67.75 -37.75 82.56 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.452 1.095 . . . . 0.0 109.28 179.34 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 44.1 t -71.61 -48.48 47.77 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.537 1.148 . . . . 0.0 109.994 -178.533 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 25.9 tpt180 -82.5 -59.78 2.41 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.529 1.143 . . . . 0.0 110.298 -167.743 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 35.0 m-85 -96.96 -20.49 18.06 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.524 1.14 . . . . 0.0 111.047 -168.015 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 80.61 23.97 59.34 Favored Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.499 1.124 . . . . 0.0 111.037 -176.488 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 94.6 mttt -87.99 157.51 18.9 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.492 0.76 . . . . 0.0 109.347 -178.679 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 8.1 p -74.84 -38.56 61.96 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.532 1.145 . . . . 0.0 110.436 -164.877 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 7.3 t-20 -160.44 164.09 32.54 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.446 1.091 . . . . 0.0 109.255 -178.98 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -151.55 150.9 22.89 Favored Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.471 1.107 . . . . 0.0 110.944 175.547 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 87.1 mtm180 -130.35 151.65 50.62 Favored 'General case' 0 C--N 1.326 -0.429 0 O-C-N 124.47 0.747 . . . . 0.0 110.317 -176.742 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 8.2 t -86.98 97.61 10.81 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.507 1.129 . . . . 0.0 108.316 -171.217 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 92.4 t -95.06 112.43 27.49 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.527 0 O-C-N 124.547 1.154 . . . . 0.0 109.274 -179.998 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 35.7 m-20 57.97 36.85 26.52 Favored 'General case' 0 C--N 1.323 -0.545 0 O-C-N 124.503 1.127 . . . . 0.0 109.23 172.966 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . 84.11 11.65 78.2 Favored Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.447 1.092 . . . . 0.0 110.998 170.221 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 32' ' ' PHE . . . . . . . . . . . . . 47.8 m-85 -140.09 144.78 36.97 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.535 0.786 . . . . 0.0 110.975 177.026 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 33' ' ' CYS . . . . . . . . . . . . . 84.3 m -70.96 143.52 50.83 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.45 1.093 . . . . 0.0 108.332 -169.323 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 10.0 t0 -129.11 111.14 12.63 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.5 1.125 . . . . 0.0 109.291 171.144 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 35' ' ' CYS . . . . . . . . . . . . . 74.5 m -105.39 141.86 36.16 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.53 1.144 . . . . 0.0 108.335 -165.16 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 36' ' ' PHE . . . . . . . . . . . . . 29.5 p90 . . . . . 0 C--N 1.324 -0.502 0 O-C-N 124.476 1.11 . . . . 0.0 111.005 -178.914 . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo . . . . . 0 N--CA 1.453 -0.906 0 N-CA-C 111.001 -0.423 . . . . 0.0 111.001 . . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 30.5 p -125.6 -164.29 1.29 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.457 1.098 . . . . 0.0 110.357 175.801 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 5.7 p-10 -101.53 -8.54 21.82 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.486 1.116 . . . . 0.0 109.311 -174.348 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 5' ' ' ILE . . . . . . . . . . . . . 77.6 mt -77.85 113.72 17.43 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.442 0 O-C-N 124.417 1.073 . . . . 0.0 109.312 -171.503 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -72.17 157.0 38.56 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.498 1.124 . . . . 0.0 109.316 179.059 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 7' ' ' CYS . . . . . 0.565 ' SG ' ' SG ' ' A' ' 13' ' ' CYS . 3.8 p -161.44 154.87 21.45 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.415 1.072 . . . . 0.0 108.346 -177.649 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 97.0 p -102.92 -20.69 14.15 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.498 1.124 . . . . 0.0 110.012 175.076 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 1.4 mp0 -149.51 159.72 44.07 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.456 1.097 . . . . 0.0 110.363 -169.607 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 58.0 m -79.2 -35.93 40.96 Favored 'General case' 0 C--N 1.324 -0.532 0 O-C-N 124.437 1.086 . . . . 0.0 109.959 -165.054 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 14.9 p90 -75.47 -2.18 27.6 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.498 1.124 . . . . 0.0 111.06 -175.867 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 79.3 mt-30 -76.12 -35.94 59.06 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.546 1.154 . . . . 0.0 110.296 168.099 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 13' ' ' CYS . . . . . 0.565 ' SG ' ' SG ' ' A' ' 7' ' ' CYS . 63.9 m -85.9 -35.14 20.72 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.553 1.158 . . . . 0.0 108.251 -169.441 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 14' ' ' PHE . . . . . 0.594 ' N ' ' CD ' ' A' ' 15' ' ' PRO . 0.1 OUTLIER -59.29 -43.84 97.3 Favored Pre-proline 0 C--N 1.325 -0.483 0 O-C-N 124.445 1.09 . . . . 0.0 111.024 -162.379 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 15' ' ' PRO . . . . . 0.594 ' CD ' ' N ' ' A' ' 14' ' ' PHE . 18.1 Cg_endo -75.12 -35.65 2.94 Favored 'Trans proline' 0 C--N 1.36 1.169 0 O-C-N 124.451 1.764 . . . . 0.0 110.914 178.331 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 0.9 OUTLIER -56.63 -41.07 72.96 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.465 1.103 . . . . 0.0 109.359 176.729 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 98.8 m -75.2 -46.46 33.9 Favored 'General case' 0 C--N 1.326 -0.426 0 O-C-N 124.487 1.117 . . . . 0.0 108.235 -174.543 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 66.4 tttm -63.56 -36.21 83.02 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.481 1.113 . . . . 0.0 109.288 -174.271 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 67.3 m -81.1 -62.08 1.77 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.602 1.189 . . . . 0.0 109.973 -176.647 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 41.1 ttp85 -85.12 -40.03 17.23 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.499 1.124 . . . . 0.0 110.257 -159.073 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 62.2 m-85 -91.6 -26.27 18.79 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.41 1.069 . . . . 0.0 110.962 -178.773 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 82.78 34.34 22.17 Favored Glycine 0 CA--C 1.531 1.043 0 O-C-N 124.515 1.135 . . . . 0.0 110.973 177.957 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 4.7 tptp -95.11 -174.05 3.12 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.523 0.778 . . . . 0.0 109.33 -177.011 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 5.7 p -98.62 -32.94 11.17 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.524 1.14 . . . . 0.0 110.39 -175.37 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 55.6 t30 -163.57 157.94 20.11 Favored 'General case' 0 C--N 1.324 -0.535 0 O-C-N 124.558 1.161 . . . . 0.0 109.344 -177.656 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -147.23 147.75 18.79 Favored Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.517 1.136 . . . . 0.0 111.037 178.99 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 67.2 mtp85 -143.06 159.91 41.37 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.494 0.761 . . . . 0.0 110.182 -179.592 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 8.2 t -92.19 101.42 13.93 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.453 1.096 . . . . 0.0 108.229 -172.252 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 96.7 t -96.01 111.58 26.57 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.436 1.085 . . . . 0.0 109.348 179.451 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 35.0 m-20 58.13 37.04 26.34 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.515 1.135 . . . . 0.0 109.307 172.772 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . 85.17 10.31 78.32 Favored Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.414 1.071 . . . . 0.0 111.004 169.873 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 32' ' ' PHE . . . . . . . . . . . . . 51.3 m-85 -140.05 145.49 37.78 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.457 0.739 . . . . 0.0 111.022 177.496 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 33' ' ' CYS . . . . . . . . . . . . . 85.0 m -71.97 145.29 48.49 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.462 1.101 . . . . 0.0 108.236 -168.388 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 11.2 t0 -134.0 123.17 24.12 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.482 1.113 . . . . 0.0 109.284 172.875 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 35' ' ' CYS . . . . . . . . . . . . . 63.7 m -105.34 134.82 47.81 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.507 1.129 . . . . 0.0 108.272 -172.476 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 36' ' ' PHE . . . . . . . . . . . . . 45.6 p90 . . . . . 0 C--N 1.325 -0.47 0 O-C-N 124.483 1.114 . . . . 0.0 110.998 179.748 . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo . . . . . 0 N--CA 1.452 -0.919 0 N-CA-C 111.004 -0.421 . . . . 0.0 111.004 . . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 23.8 p -132.87 -164.19 1.44 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.527 1.142 . . . . 0.0 110.435 177.588 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 5.8 p-10 -107.27 -0.1 22.8 Favored 'General case' 0 C--N 1.324 -0.54 0 O-C-N 124.516 1.135 . . . . 0.0 109.299 -176.097 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 5' ' ' ILE . . . . . . . . . . . . . 77.0 mt -80.86 117.99 27.84 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.524 1.14 . . . . 0.0 109.247 -173.615 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 98.9 mttt -75.59 149.81 38.19 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.422 1.076 . . . . 0.0 109.273 -178.832 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 7' ' ' CYS . . . . . 0.491 ' SG ' ' SG ' ' A' ' 13' ' ' CYS . 6.7 p -158.75 157.23 31.29 Favored 'General case' 0 C--N 1.326 -0.43 0 O-C-N 124.524 1.14 . . . . 0.0 108.285 179.773 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 93.8 p -98.45 -27.89 13.86 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.512 1.133 . . . . 0.0 109.977 169.403 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 61.5 mm-40 -149.21 161.16 42.56 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.508 1.13 . . . . 0.0 110.269 -164.223 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 37.5 m -80.06 -32.4 39.35 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.525 1.14 . . . . 0.0 110.03 -162.94 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 17.3 p90 -70.6 -12.11 61.36 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.466 1.104 . . . . 0.0 111.031 -176.673 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 72.9 mt-30 -74.61 -32.81 62.45 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.493 1.121 . . . . 0.0 110.34 173.159 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 13' ' ' CYS . . . . . 0.491 ' SG ' ' SG ' ' A' ' 7' ' ' CYS . 84.1 m -85.57 -39.16 17.67 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.558 1.162 . . . . 0.0 108.318 -168.588 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 14' ' ' PHE . . . . . 0.596 ' N ' ' CD ' ' A' ' 15' ' ' PRO . 0.1 OUTLIER -57.68 -45.22 99.85 Favored Pre-proline 0 C--N 1.325 -0.5 0 O-C-N 124.509 1.13 . . . . 0.0 111.007 -162.01 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 15' ' ' PRO . . . . . 0.596 ' CD ' ' N ' ' A' ' 14' ' ' PHE . 18.3 Cg_endo -75.0 -29.91 7.72 Favored 'Trans proline' 0 C--N 1.359 1.127 0 O-C-N 124.449 1.762 . . . . 0.0 111.003 -179.158 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 1.1 t -69.01 -36.35 73.45 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.569 1.168 . . . . 0.0 109.288 -179.205 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 91.6 m -74.94 -37.81 61.9 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.502 1.126 . . . . 0.0 108.245 -177.484 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 28.4 ttpp -70.05 -34.43 73.21 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.449 1.093 . . . . 0.0 109.282 -178.834 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 43.6 t -74.79 -52.6 11.04 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.507 1.13 . . . . 0.0 110.026 -178.633 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 40.2 ttm180 -82.78 -57.6 3.24 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.556 1.16 . . . . 0.0 110.333 -164.901 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 34.8 m-85 -95.69 -21.0 18.47 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.456 1.098 . . . . 0.0 110.971 -170.707 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 78.96 35.98 29.5 Favored Glycine 0 CA--C 1.531 1.041 0 O-C-N 124.486 1.116 . . . . 0.0 110.962 -177.951 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 9.8 mptt -91.65 158.25 16.51 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.506 0.768 . . . . 0.0 109.322 178.893 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 6.9 p -75.02 -35.52 61.96 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.532 1.145 . . . . 0.0 110.371 -169.301 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 7.4 t-20 -159.62 164.65 33.95 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.578 1.174 . . . . 0.0 109.296 179.307 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -152.23 147.28 16.83 Favored Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.479 1.112 . . . . 0.0 110.985 176.683 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 72.5 mtp85 -138.5 153.06 48.77 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.507 0.769 . . . . 0.0 110.323 -175.826 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 7.9 t -88.66 103.12 15.64 Favored 'General case' 0 C--N 1.324 -0.53 0 O-C-N 124.531 1.145 . . . . 0.0 108.34 -169.148 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 98.0 t -98.98 110.37 26.14 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.506 1.129 . . . . 0.0 109.295 178.669 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 36.2 m-20 58.47 37.45 25.63 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.546 1.154 . . . . 0.0 109.343 170.997 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . 86.84 8.35 76.42 Favored Glycine 0 CA--C 1.53 1.031 0 O-C-N 124.435 1.085 . . . . 0.0 110.962 169.275 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 32' ' ' PHE . . . . . . . . . . . . . 46.8 m-85 -136.28 144.95 45.04 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.533 0.784 . . . . 0.0 110.969 176.698 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 33' ' ' CYS . . . . . . . . . . . . . 87.9 m -71.88 140.26 49.2 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.47 1.106 . . . . 0.0 108.29 -172.318 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 10.4 t70 -124.79 116.05 21.67 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.5 1.125 . . . . 0.0 109.304 171.488 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 35' ' ' CYS . . . . . . . . . . . . . 86.2 m -103.95 137.26 42.19 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.529 1.143 . . . . 0.0 108.376 -169.521 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 36' ' ' PHE . . . . . . . . . . . . . 44.4 p90 . . . . . 0 C--N 1.324 -0.503 0 O-C-N 124.447 1.092 . . . . 0.0 111.025 -179.562 . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo . . . . . 0 N--CA 1.452 -0.933 0 N-CA-C 111.011 -0.419 . . . . 0.0 111.011 . . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 15.0 p -132.52 -160.02 1.01 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.412 1.07 . . . . 0.0 110.439 -179.567 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 19.5 p-10 -125.92 20.01 7.72 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.551 1.157 . . . . 0.0 109.252 173.29 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 5' ' ' ILE . . . . . . . . . . . . . 49.9 mt -75.15 108.78 7.28 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.517 1.136 . . . . 0.0 109.297 178.488 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 58.0 pttt -66.6 148.11 52.34 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.505 1.128 . . . . 0.0 109.308 -170.656 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 7' ' ' CYS . . . . . 0.401 ' SG ' ' SG ' ' A' ' 13' ' ' CYS . 11.3 p -159.14 156.12 28.46 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.536 1.147 . . . . 0.0 108.275 178.41 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 90.9 p -97.52 -27.82 14.25 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.576 1.173 . . . . 0.0 110.01 170.142 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 4.5 mm-40 -149.9 163.51 37.86 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.503 1.127 . . . . 0.0 110.349 -166.945 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 58.1 m -80.05 -33.61 38.89 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.485 1.115 . . . . 0.0 110.027 -164.285 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 16.3 p90 -71.2 -10.02 59.07 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.586 1.178 . . . . 0.0 110.986 -176.584 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 79.2 mt-30 -77.31 -30.03 53.92 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.485 1.116 . . . . 0.0 110.272 173.199 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 13' ' ' CYS . . . . . 0.401 ' SG ' ' SG ' ' A' ' 7' ' ' CYS . 68.3 m -85.53 -35.77 20.91 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.512 1.133 . . . . 0.0 108.353 -172.334 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 14' ' ' PHE . . . . . 0.584 ' N ' ' CD ' ' A' ' 15' ' ' PRO . 0.1 OUTLIER -56.29 -45.5 99.91 Favored Pre-proline 0 C--N 1.326 -0.454 0 O-C-N 124.389 1.056 . . . . 0.0 111.034 -163.321 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 15' ' ' PRO . . . . . 0.584 ' CD ' ' N ' ' A' ' 14' ' ' PHE . 18.0 Cg_endo -75.06 -32.87 4.95 Favored 'Trans proline' 0 C--N 1.36 1.135 0 O-C-N 124.514 1.797 . . . . 0.0 111.023 -179.871 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 0.9 OUTLIER -61.26 -39.15 81.62 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.55 1.157 . . . . 0.0 109.25 177.27 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 83.5 m -75.16 -39.85 60.01 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.534 1.146 . . . . 0.0 108.3 -174.009 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 28.4 ttpp -69.08 -32.4 71.81 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.463 1.102 . . . . 0.0 109.288 -178.261 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 45.6 t -74.51 -50.85 16.56 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.512 1.133 . . . . 0.0 110.054 179.903 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 73.0 ttt180 -82.24 -59.99 2.36 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.487 1.117 . . . . 0.0 110.287 -166.66 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 62.2 m-85 -95.52 -18.96 20.21 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.512 1.133 . . . . 0.0 110.928 -169.598 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 78.79 25.47 60.31 Favored Glycine 0 CA--C 1.531 1.068 0 O-C-N 124.473 1.108 . . . . 0.0 110.955 -178.545 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 55.4 mttp -88.47 164.01 15.67 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.58 0.812 . . . . 0.0 109.322 -178.926 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 1.3 p -74.63 -37.81 62.68 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.533 1.145 . . . . 0.0 110.425 -167.003 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 6.1 t-20 -164.52 165.97 20.8 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.495 1.122 . . . . 0.0 109.328 -173.205 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -144.61 161.17 28.01 Favored Glycine 0 CA--C 1.53 1.016 0 O-C-N 124.425 1.078 . . . . 0.0 110.998 176.81 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 16.7 ptm180 -141.91 147.72 37.53 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.51 0.77 . . . . 0.0 110.324 -178.183 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 5.7 t -89.88 99.59 12.57 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.508 1.13 . . . . 0.0 108.319 -168.881 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 83.3 t -94.88 110.01 23.2 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.511 1.132 . . . . 0.0 109.294 -179.239 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 32.1 m120 53.48 40.13 30.95 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.427 1.08 . . . . 0.0 109.303 176.049 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . 83.6 13.77 74.98 Favored Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.49 1.119 . . . . 0.0 111.026 168.606 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 32' ' ' PHE . . . . . . . . . . . . . 72.1 m-85 -139.79 142.54 36.7 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.532 0.784 . . . . 0.0 110.978 177.441 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 33' ' ' CYS . . . . . . . . . . . . . 84.0 m -71.69 137.44 47.81 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.552 1.157 . . . . 0.0 108.307 -168.905 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 12.5 t70 -124.93 115.34 20.44 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.474 1.109 . . . . 0.0 109.271 166.358 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 35' ' ' CYS . . . . . . . . . . . . . 66.8 m -94.92 151.59 19.07 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.511 1.132 . . . . 0.0 108.328 -171.659 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 36' ' ' PHE . . . . . . . . . . . . . 52.9 p90 . . . . . 0 C--N 1.323 -0.551 0 O-C-N 124.532 1.145 . . . . 0.0 111.04 177.375 . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo . . . . . 0 N--CA 1.454 -0.838 0 N-CA-C 110.965 -0.436 . . . . 0.0 110.965 . . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 31.9 p -126.54 -165.06 1.4 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.452 1.095 . . . . 0.0 110.38 177.994 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 12.4 p-10 -102.06 -6.1 23.75 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.414 1.071 . . . . 0.0 109.354 -173.974 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 5' ' ' ILE . . . . . . . . . . . . . 78.1 mt -76.73 120.89 27.84 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.515 0 O-C-N 124.556 1.16 . . . . 0.0 109.278 -172.032 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 98.8 mttt -78.37 152.16 32.44 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.494 1.122 . . . . 0.0 109.317 -177.484 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 7' ' ' CYS . . . . . 0.576 ' SG ' ' SG ' ' A' ' 13' ' ' CYS . 7.5 p -158.83 158.21 33.05 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.479 1.112 . . . . 0.0 108.307 179.027 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 89.5 p -99.59 -25.74 14.32 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.489 1.118 . . . . 0.0 110.061 169.894 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 1.2 mp0 -149.07 161.35 42.13 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.426 1.079 . . . . 0.0 110.284 -165.495 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 66.1 m -80.0 -34.48 38.46 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.517 1.135 . . . . 0.0 109.981 -165.008 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 21.4 p90 -72.4 -8.75 56.62 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.444 1.09 . . . . 0.0 111.04 -177.246 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 90.9 mt-30 -78.2 -29.76 48.61 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.497 1.123 . . . . 0.0 110.314 172.458 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 13' ' ' CYS . . . . . 0.576 ' SG ' ' SG ' ' A' ' 7' ' ' CYS . 72.7 m -85.36 -39.98 17.02 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.628 1.205 . . . . 0.0 108.39 -171.19 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 14' ' ' PHE . . . . . 0.59 ' N ' ' CD ' ' A' ' 15' ' ' PRO . 0.1 OUTLIER -56.8 -45.59 99.93 Favored Pre-proline 0 C--N 1.325 -0.48 0 O-C-N 124.441 1.088 . . . . 0.0 110.995 -162.351 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 15' ' ' PRO . . . . . 0.59 ' CD ' ' N ' ' A' ' 14' ' ' PHE . 18.6 Cg_endo -75.0 -29.81 7.83 Favored 'Trans proline' 0 C--N 1.36 1.158 0 O-C-N 124.502 1.791 . . . . 0.0 111.035 -179.147 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 1.2 t -68.02 -35.7 72.76 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.492 1.12 . . . . 0.0 109.294 179.089 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 79.9 m -74.86 -38.55 61.91 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.56 1.162 . . . . 0.0 108.324 -176.295 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 2.8 tmtm? -68.38 -35.71 78.09 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.494 1.121 . . . . 0.0 109.286 179.649 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 46.5 t -72.08 -49.6 35.09 Favored 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.53 1.144 . . . . 0.0 110.016 -179.142 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 51.2 tpt85 -82.32 -57.88 3.18 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.542 1.151 . . . . 0.0 110.251 -166.92 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 52.2 m-85 -98.85 -21.74 16.17 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.565 1.166 . . . . 0.0 111.033 -168.749 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 81.5 24.16 56.99 Favored Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.479 1.112 . . . . 0.0 110.978 -176.088 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 56.0 mttp -88.49 164.41 15.46 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.443 0.731 . . . . 0.0 109.271 -179.345 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 8.8 p -86.61 -31.46 21.14 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.493 1.121 . . . . 0.0 110.413 -159.088 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 10.9 t-20 -161.33 162.02 30.71 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.514 1.134 . . . . 0.0 109.329 -176.716 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -142.09 153.0 24.05 Favored Glycine 0 CA--C 1.531 1.061 0 O-C-N 124.484 1.115 . . . . 0.0 110.988 -179.926 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 10.8 tpp180 -140.02 136.76 34.04 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.543 0.79 . . . . 0.0 110.332 -179.081 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 6.8 t -85.04 97.14 9.66 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.406 1.066 . . . . 0.0 108.24 -171.534 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 95.4 t -94.96 110.69 24.33 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.504 1.127 . . . . 0.0 109.318 -179.943 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 35.8 m-20 58.57 35.78 24.76 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.501 1.126 . . . . 0.0 109.285 171.825 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . 85.42 11.8 74.32 Favored Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.469 1.105 . . . . 0.0 111.0 170.421 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 32' ' ' PHE . . . . . . . . . . . . . 58.6 m-85 -134.46 144.23 47.99 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.526 0.78 . . . . 0.0 110.997 175.401 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 33' ' ' CYS . . . . . . . . . . . . . 87.6 m -71.8 139.77 49.12 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.522 1.139 . . . . 0.0 108.295 -173.375 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 11.0 t0 -124.93 115.29 20.37 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.499 1.124 . . . . 0.0 109.276 170.185 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 35' ' ' CYS . . . . . . . . . . . . . 70.8 m -107.05 141.95 37.47 Favored 'General case' 0 C--N 1.326 -0.415 0 O-C-N 124.467 1.105 . . . . 0.0 108.326 -166.218 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 36' ' ' PHE . . . . . . . . . . . . . 20.0 p90 . . . . . 0 C--N 1.324 -0.522 0 O-C-N 124.451 1.094 . . . . 0.0 110.991 -179.097 . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo . . . . . 0 N--CA 1.453 -0.86 0 N-CA-C 110.987 -0.428 . . . . 0.0 110.987 . . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 17.4 p -131.81 -164.24 1.43 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.521 1.138 . . . . 0.0 110.406 -179.861 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 16.6 p-10 -112.75 3.92 16.77 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.457 1.098 . . . . 0.0 109.302 -177.345 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 5' ' ' ILE . . . . . . . . . . . . . 54.7 mt -75.11 113.71 14.23 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.559 1.162 . . . . 0.0 109.306 -174.666 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 84.5 tttt -74.55 144.86 43.84 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.553 1.158 . . . . 0.0 109.333 -173.393 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 7' ' ' CYS . . . . . 0.653 ' SG ' ' SG ' ' A' ' 13' ' ' CYS . 6.0 p -156.32 154.97 31.45 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.521 1.138 . . . . 0.0 108.313 -177.744 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 93.2 p -97.89 -27.69 14.16 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.415 1.072 . . . . 0.0 109.979 171.876 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 4.0 mm-40 -149.72 161.7 41.71 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.568 1.168 . . . . 0.0 110.327 -162.028 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 29.8 m -77.03 -35.68 56.76 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.466 1.104 . . . . 0.0 109.992 -164.073 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 19.1 p90 -70.19 -10.9 60.28 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.452 1.095 . . . . 0.0 110.989 -173.965 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 62.4 mt-30 -75.7 -36.58 59.97 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.553 1.158 . . . . 0.0 110.314 172.016 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 13' ' ' CYS . . . . . 0.653 ' SG ' ' SG ' ' A' ' 7' ' ' CYS . 80.8 m -85.52 -39.9 16.93 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.533 1.146 . . . . 0.0 108.31 -169.865 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 14' ' ' PHE . . . . . 0.602 ' N ' ' CD ' ' A' ' 15' ' ' PRO . 0.1 OUTLIER -57.4 -45.28 99.9 Favored Pre-proline 0 C--N 1.324 -0.522 0 O-C-N 124.472 1.108 . . . . 0.0 111.034 -161.317 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 15' ' ' PRO . . . . . 0.602 ' CD ' ' N ' ' A' ' 14' ' ' PHE . 18.5 Cg_endo -74.98 -29.7 7.98 Favored 'Trans proline' 0 C--N 1.36 1.139 0 O-C-N 124.562 1.822 . . . . 0.0 111.013 -178.166 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 1.0 OUTLIER -67.78 -36.04 74.54 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.488 1.118 . . . . 0.0 109.255 178.311 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 63.4 m -74.51 -44.96 48.86 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.536 1.148 . . . . 0.0 108.285 -179.405 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 1.1 tmtp? -64.07 -36.06 82.78 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.483 1.114 . . . . 0.0 109.244 -176.045 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 42.2 t -78.6 -62.15 1.78 Allowed 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.531 1.144 . . . . 0.0 109.97 -177.309 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 4.3 tmt_? -83.15 -46.65 12.5 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.592 1.182 . . . . 0.0 110.28 -161.167 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 69.8 m-85 -89.8 -21.71 22.48 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.531 1.144 . . . . 0.0 110.989 -175.584 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 78.65 28.27 55.37 Favored Glycine 0 CA--C 1.53 0.989 0 O-C-N 124.5 1.125 . . . . 0.0 111.028 173.328 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 2.3 mtpp -90.01 173.98 7.91 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.453 0.737 . . . . 0.0 109.271 -178.027 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 1.4 p -74.84 -37.29 62.28 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.497 1.123 . . . . 0.0 110.409 -178.168 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 6.0 t-20 -163.36 167.66 21.45 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.478 1.111 . . . . 0.0 109.297 -174.881 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -154.13 154.56 25.59 Favored Glycine 0 CA--C 1.529 0.934 0 O-C-N 124.48 1.112 . . . . 0.0 111.057 173.318 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 52.1 mtp180 -143.17 163.7 32.19 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.497 0.763 . . . . 0.0 110.313 179.914 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 9.0 t -90.84 105.47 17.85 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.469 1.106 . . . . 0.0 108.316 -173.487 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 90.4 t -101.37 112.76 35.44 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.488 1.118 . . . . 0.0 109.291 179.872 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 35.0 m-20 58.29 35.97 25.28 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.521 1.138 . . . . 0.0 109.314 173.207 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . 85.43 8.72 80.48 Favored Glycine 0 CA--C 1.531 1.048 0 O-C-N 124.513 1.133 . . . . 0.0 111.043 170.249 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 32' ' ' PHE . . . . . . . . . . . . . 72.0 m-85 -139.39 144.5 38.18 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.562 0.801 . . . . 0.0 110.959 178.636 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 33' ' ' CYS . . . . . . . . . . . . . 96.5 m -72.42 138.28 47.03 Favored 'General case' 0 C--N 1.324 -0.535 0 O-C-N 124.535 1.147 . . . . 0.0 108.229 -168.162 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 11.0 t70 -129.56 128.49 42.86 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.424 1.078 . . . . 0.0 109.277 170.168 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 35' ' ' CYS . . . . . . . . . . . . . 32.4 m -101.58 147.02 26.9 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.466 1.104 . . . . 0.0 108.277 -176.31 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 36' ' ' PHE . . . . . . . . . . . . . 50.9 p90 . . . . . 0 C--N 1.324 -0.505 0 O-C-N 124.543 1.152 . . . . 0.0 111.041 175.779 . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo . . . . . 0 N--CA 1.451 -0.973 0 N-CA-C 111.033 -0.411 . . . . 0.0 111.033 . . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 31.8 p -124.99 -164.67 1.3 Allowed 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.374 1.046 . . . . 0.0 110.417 176.254 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 13.2 p-10 -102.58 -4.75 24.77 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.454 1.096 . . . . 0.0 109.336 -174.345 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 5' ' ' ILE . . . . . . . . . . . . . 78.5 mt -78.14 110.1 13.49 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.465 1.103 . . . . 0.0 109.361 -171.987 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 57.7 pttt -70.49 155.18 41.05 Favored 'General case' 0 C--N 1.324 -0.54 0 O-C-N 124.563 1.164 . . . . 0.0 109.247 178.174 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 7' ' ' CYS . . . . . 0.68 ' SG ' ' SG ' ' A' ' 13' ' ' CYS . 5.7 p -161.57 155.07 21.43 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.445 1.09 . . . . 0.0 108.32 -176.83 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 93.3 p -101.38 -21.94 14.7 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.446 1.091 . . . . 0.0 110.02 174.21 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -151.55 158.8 44.04 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.456 1.098 . . . . 0.0 110.254 -165.459 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 63.3 m -80.41 -32.89 37.35 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.529 1.143 . . . . 0.0 110.0 -164.257 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 13.1 p90 -71.33 -9.83 58.77 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.437 1.085 . . . . 0.0 111.002 -177.175 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 66.0 mt-30 -75.24 -37.15 61.16 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.522 1.139 . . . . 0.0 110.301 170.77 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 13' ' ' CYS . . . . . 0.68 ' SG ' ' SG ' ' A' ' 7' ' ' CYS . 71.4 m -85.63 -40.15 16.53 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.501 1.126 . . . . 0.0 108.324 -168.517 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 14' ' ' PHE . . . . . 0.597 ' N ' ' CD ' ' A' ' 15' ' ' PRO . 0.1 OUTLIER -58.76 -44.5 99.05 Favored Pre-proline 0 C--N 1.325 -0.473 0 O-C-N 124.452 1.095 . . . . 0.0 111.038 -161.749 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 15' ' ' PRO . . . . . 0.597 ' CD ' ' N ' ' A' ' 14' ' ' PHE . 18.5 Cg_endo -75.01 -29.75 7.89 Favored 'Trans proline' 0 C--N 1.361 1.219 0 O-C-N 124.517 1.799 . . . . 0.0 111.018 -179.701 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 1.1 t -67.64 -35.45 72.94 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.518 0 O-C-N 124.482 1.114 . . . . 0.0 109.271 178.951 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 70.3 m -73.27 -43.24 61.41 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.479 1.112 . . . . 0.0 108.236 -179.602 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 13.9 ttmt -68.0 -32.49 72.93 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.556 1.16 . . . . 0.0 109.327 -176.055 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 41.0 t -78.75 -64.34 1.2 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.484 1.115 . . . . 0.0 110.045 -178.026 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -85.09 -38.04 19.57 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.505 1.128 . . . . 0.0 110.312 -159.412 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 82.1 m-85 -98.35 -25.74 14.73 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.474 1.109 . . . . 0.0 110.97 -176.47 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 80.71 27.72 49.72 Favored Glycine 0 CA--C 1.53 0.971 0 O-C-N 124.527 1.142 . . . . 0.0 111.063 174.49 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 2.2 mtpp -90.28 168.73 11.69 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.456 0.739 . . . . 0.0 109.249 -176.609 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 1.9 p -76.47 -31.22 57.66 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.505 1.128 . . . . 0.0 110.425 -170.694 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 55.9 t30 -163.82 162.04 23.51 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.479 1.112 . . . . 0.0 109.26 -177.056 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -142.31 162.35 27.24 Favored Glycine 0 CA--C 1.53 1.031 0 O-C-N 124.474 1.109 . . . . 0.0 110.998 175.471 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 2.2 tpt180 -154.64 144.98 22.05 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.576 0.81 . . . . 0.0 110.291 -178.755 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 13.5 t -83.78 99.02 10.02 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.485 1.115 . . . . 0.0 108.247 -177.13 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 81.1 t -94.97 110.0 23.22 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.39 1.056 . . . . 0.0 109.336 -178.291 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 32.2 m120 53.51 42.59 31.92 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.557 1.161 . . . . 0.0 109.395 175.344 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . 86.45 7.94 78.42 Favored Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.458 1.099 . . . . 0.0 111.011 166.097 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 32' ' ' PHE . . . . . . . . . . . . . 43.7 m-85 -140.07 144.38 36.81 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.556 0.797 . . . . 0.0 111.077 177.659 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 33' ' ' CYS . . . . . . . . . . . . . 83.8 m -72.66 142.86 48.28 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.524 1.14 . . . . 0.0 108.29 -168.578 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 11.5 t70 -133.11 125.32 29.29 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.531 1.144 . . . . 0.0 109.301 172.873 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 35' ' ' CYS . . . . . . . . . . . . . 58.6 m -108.08 139.36 42.85 Favored 'General case' 0 C--N 1.324 -0.536 0 O-C-N 124.565 1.165 . . . . 0.0 108.348 -172.364 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 36' ' ' PHE . . . . . . . . . . . . . 31.3 p90 . . . . . 0 C--N 1.324 -0.523 0 O-C-N 124.478 1.111 . . . . 0.0 111.087 -179.407 . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo . . . . . 0 N--CA 1.452 -0.929 0 N-CA-C 110.983 -0.429 . . . . 0.0 110.983 . . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 16.3 p -131.16 -161.34 1.12 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.495 1.122 . . . . 0.0 110.39 172.275 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 4.7 p-10 -124.79 20.08 8.51 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.522 1.139 . . . . 0.0 109.267 177.335 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 5' ' ' ILE . . . . . . . . . . . . . 83.5 mt -87.28 113.79 25.29 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.588 1.18 . . . . 0.0 109.378 177.038 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 58.3 tttm -75.64 144.94 41.42 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.492 1.12 . . . . 0.0 109.272 -178.696 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 7' ' ' CYS . . . . . 0.637 ' SG ' ' SG ' ' A' ' 13' ' ' CYS . 5.2 p -151.9 153.6 34.47 Favored 'General case' 0 C--N 1.324 -0.54 0 O-C-N 124.549 1.155 . . . . 0.0 108.335 -176.819 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 60.6 p -97.7 -26.26 14.81 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.459 1.099 . . . . 0.0 110.036 172.693 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 4.0 mp0 -149.57 163.97 36.4 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.502 1.126 . . . . 0.0 110.286 -169.694 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 67.4 m -80.29 -31.91 38.19 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.554 1.159 . . . . 0.0 110.063 -163.33 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 16.9 p90 -70.42 -11.34 60.85 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.468 1.105 . . . . 0.0 111.002 -176.633 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 78.5 mt-30 -76.18 -32.34 58.98 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.447 1.092 . . . . 0.0 110.39 172.621 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 13' ' ' CYS . . . . . 0.637 ' SG ' ' SG ' ' A' ' 7' ' ' CYS . 71.6 m -85.38 -40.06 16.9 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.509 1.13 . . . . 0.0 108.282 -169.648 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 14' ' ' PHE . . . . . 0.6 ' N ' ' CD ' ' A' ' 15' ' ' PRO . 0.1 OUTLIER -58.22 -44.82 99.59 Favored Pre-proline 0 C--N 1.325 -0.495 0 O-C-N 124.488 1.117 . . . . 0.0 111.032 -161.711 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 15' ' ' PRO . . . . . 0.6 ' CD ' ' N ' ' A' ' 14' ' ' PHE . 18.0 Cg_endo -75.04 -29.84 7.75 Favored 'Trans proline' 0 C--N 1.36 1.161 0 O-C-N 124.506 1.793 . . . . 0.0 110.96 -179.29 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 1.1 t -67.9 -35.58 72.64 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.479 1.112 . . . . 0.0 109.299 178.948 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 99.2 m -75.01 -41.6 59.13 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.551 1.157 . . . . 0.0 108.311 -178.737 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 86.7 tttt -66.88 -33.77 76.33 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.538 1.149 . . . . 0.0 109.26 -177.683 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 41.5 t -77.38 -59.12 2.91 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.553 1.158 . . . . 0.0 109.961 -178.308 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 4.4 tmt_? -84.41 -50.33 7.88 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.553 1.158 . . . . 0.0 110.333 -161.758 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 66.0 m-85 -88.39 -24.5 23.06 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.501 1.125 . . . . 0.0 110.925 -175.519 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 79.6 26.85 55.86 Favored Glycine 0 CA--C 1.53 0.973 0 O-C-N 124.497 1.123 . . . . 0.0 111.001 179.472 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 25.2 mmtt -88.05 169.8 11.64 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.453 0.737 . . . . 0.0 109.322 -176.755 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 1.4 p -74.92 -37.18 62.11 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.557 1.16 . . . . 0.0 110.412 -174.929 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 5.9 t-20 -162.34 166.62 25.0 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.516 1.135 . . . . 0.0 109.215 -173.268 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -146.81 162.76 28.57 Favored Glycine 0 CA--C 1.531 1.036 0 O-C-N 124.506 1.128 . . . . 0.0 111.024 176.77 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 56.0 ttp180 -150.48 144.05 25.13 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.524 0.779 . . . . 0.0 110.326 -177.543 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 6.9 t -81.95 99.37 9.06 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.536 1.148 . . . . 0.0 108.287 -176.281 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 73.1 t -94.9 109.98 23.16 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.444 0 O-C-N 124.474 1.108 . . . . 0.0 109.264 -179.658 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 31.7 m120 53.46 41.99 32.03 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.428 1.08 . . . . 0.0 109.317 176.41 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . 87.81 4.98 78.47 Favored Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.476 1.11 . . . . 0.0 110.998 166.289 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 32' ' ' PHE . . . . . . . . . . . . . 29.7 m-85 -140.14 145.71 37.9 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.507 0.769 . . . . 0.0 110.997 179.479 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 33' ' ' CYS . . . . . . . . . . . . . 75.2 m -74.71 141.54 44.49 Favored 'General case' 0 C--N 1.326 -0.421 0 O-C-N 124.51 1.132 . . . . 0.0 108.323 -165.433 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 10.2 t70 -128.41 128.12 43.86 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.453 1.095 . . . . 0.0 109.323 168.083 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 35' ' ' CYS . . . . . . . . . . . . . 58.7 m -106.65 139.85 40.45 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.517 1.135 . . . . 0.0 108.281 -171.604 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 36' ' ' PHE . . . . . . . . . . . . . 31.3 p90 . . . . . 0 C--N 1.324 -0.506 0 O-C-N 124.408 1.067 . . . . 0.0 111.064 -178.939 . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo . . . . . 0 N--CA 1.452 -0.915 0 N-CA-C 111.05 -0.404 . . . . 0.0 111.05 . . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 51.0 p -126.41 -162.36 1.13 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.501 1.126 . . . . 0.0 110.319 178.29 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 17.0 p-10 -109.12 -2.1 18.32 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.528 1.143 . . . . 0.0 109.331 175.998 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 5' ' ' ILE . . . . . . . . . . . . . 75.5 mt -74.88 117.23 18.74 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.503 1.127 . . . . 0.0 109.26 -175.128 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 51.9 tttm -80.03 146.91 31.72 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.437 1.086 . . . . 0.0 109.302 -177.661 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 7' ' ' CYS . . . . . 0.615 ' SG ' ' SG ' ' A' ' 13' ' ' CYS . 8.4 p -153.77 157.5 39.51 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.528 1.143 . . . . 0.0 108.296 -178.401 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 92.3 p -96.93 -27.75 14.51 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.5 1.125 . . . . 0.0 110.086 169.797 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 30.6 mm-40 -149.18 161.18 42.5 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.487 1.117 . . . . 0.0 110.3 -162.507 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 58.1 m -79.4 -33.7 42.49 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.444 1.09 . . . . 0.0 110.05 -163.88 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 18.1 p90 -70.74 -11.43 60.95 Favored 'General case' 0 C--N 1.326 -0.43 0 O-C-N 124.468 1.105 . . . . 0.0 110.969 -176.385 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 74.6 mt-30 -75.97 -32.66 59.6 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.425 1.078 . . . . 0.0 110.322 173.265 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 13' ' ' CYS . . . . . 0.615 ' SG ' ' SG ' ' A' ' 7' ' ' CYS . 77.5 m -85.73 -34.19 21.28 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.49 1.119 . . . . 0.0 108.254 -170.157 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 14' ' ' PHE . . . . . 0.588 ' N ' ' CD ' ' A' ' 15' ' ' PRO . 0.1 OUTLIER -58.33 -45.12 99.73 Favored Pre-proline 0 C--N 1.325 -0.5 0 O-C-N 124.554 1.159 . . . . 0.0 111.05 -162.915 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 15' ' ' PRO . . . . . 0.588 ' CD ' ' N ' ' A' ' 14' ' ' PHE . 18.2 Cg_endo -75.0 -32.96 4.95 Favored 'Trans proline' 0 C--N 1.361 1.185 0 O-C-N 124.489 1.784 . . . . 0.0 110.996 179.735 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 0.9 OUTLIER -60.15 -40.36 83.23 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.548 1.155 . . . . 0.0 109.336 176.206 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 68.9 m -75.22 -40.72 58.85 Favored 'General case' 0 C--N 1.326 -0.426 0 O-C-N 124.394 1.059 . . . . 0.0 108.362 -174.354 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 14.7 tmtt? -68.99 -33.16 73.22 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.537 1.148 . . . . 0.0 109.355 -176.949 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 41.7 t -77.71 -57.2 3.94 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.531 1.144 . . . . 0.0 109.98 -177.405 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 41.2 ttm180 -82.59 -53.95 5.55 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.48 1.113 . . . . 0.0 110.284 -164.034 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 90.7 m-85 -94.25 -17.34 22.76 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.481 1.113 . . . . 0.0 110.972 -171.772 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 77.41 27.65 59.13 Favored Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.529 1.143 . . . . 0.0 111.08 173.905 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 2.9 mtpp -86.73 171.18 11.12 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.52 0.776 . . . . 0.0 109.252 -178.697 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 1.3 p -74.96 -37.56 61.92 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.55 1.156 . . . . 0.0 110.336 -175.514 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 30.5 t-20 -163.12 165.62 24.4 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.474 1.109 . . . . 0.0 109.323 -171.937 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -143.33 162.19 27.61 Favored Glycine 0 CA--C 1.53 0.983 0 O-C-N 124.524 1.14 . . . . 0.0 110.976 176.797 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 9.7 ptp180 -149.4 158.47 44.2 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.454 0.738 . . . . 0.0 110.272 177.039 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 4.7 t -94.32 105.66 17.64 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.554 1.159 . . . . 0.0 108.277 -172.586 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 94.8 t -96.88 109.93 23.99 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.502 1.126 . . . . 0.0 109.313 177.856 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 35.5 m-20 57.85 35.62 25.59 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.42 1.075 . . . . 0.0 109.246 171.837 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . 88.34 8.76 70.78 Favored Glycine 0 CA--C 1.53 1.029 0 O-C-N 124.494 1.121 . . . . 0.0 110.997 169.694 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 32' ' ' PHE . . . . . . . . . . . . . 49.8 m-85 -139.99 146.06 38.62 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.511 0.771 . . . . 0.0 111.021 177.624 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 33' ' ' CYS . . . . . . . . . . . . . 89.1 m -74.31 147.63 42.11 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.508 1.13 . . . . 0.0 108.325 -163.894 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 13.7 t0 -138.51 127.62 24.14 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.534 1.146 . . . . 0.0 109.315 169.758 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 35' ' ' CYS . . . . . . . . . . . . . 56.1 m -101.43 146.14 28.02 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.45 1.093 . . . . 0.0 108.346 -172.043 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 36' ' ' PHE . . . . . . . . . . . . . 45.6 p90 . . . . . 0 C--N 1.324 -0.53 0 O-C-N 124.544 1.152 . . . . 0.0 111.022 177.04 . . . . . . . . 0 0 . 1 . 011 nuclear build core ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo . . . . . 0 N--CA 1.453 -0.864 0 N-CA-C 110.986 -0.429 . . . . 0.0 110.986 . . . . . . . . . 0 0 . 1 . 011 nuclear build core ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 20.3 p -132.47 -163.9 1.4 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.513 1.133 . . . . 0.0 110.361 175.624 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 39.2 p-10 -114.61 9.33 16.53 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.456 1.097 . . . . 0.0 109.237 -177.606 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 5' ' ' ILE . . . . . . . . . . . . . 83.3 mt -84.48 119.05 32.77 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.528 0 O-C-N 124.511 1.132 . . . . 0.0 109.301 -178.956 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 52.8 mtpt -78.22 151.46 33.12 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.533 1.146 . . . . 0.0 109.348 -177.379 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 7' ' ' CYS . . . . . 0.482 ' SG ' ' SG ' ' A' ' 13' ' ' CYS . 6.8 p -159.1 157.61 31.35 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.487 1.117 . . . . 0.0 108.305 -178.827 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 92.3 p -97.49 -28.34 14.02 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.474 1.109 . . . . 0.0 110.048 169.05 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 31.0 mm-40 -149.23 160.67 43.17 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.52 1.137 . . . . 0.0 110.342 -163.699 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 31.9 m -80.08 -32.9 39.25 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.505 1.128 . . . . 0.0 110.041 -163.321 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 17.1 p90 -70.14 -11.97 61.27 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.499 1.125 . . . . 0.0 111.042 -176.795 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 74.7 mt-30 -74.4 -33.88 63.14 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.558 1.161 . . . . 0.0 110.279 173.203 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 13' ' ' CYS . . . . . 0.482 ' SG ' ' SG ' ' A' ' 7' ' ' CYS . 64.7 m -85.7 -34.76 21.19 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.46 1.1 . . . . 0.0 108.287 -169.401 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 14' ' ' PHE . . . . . 0.586 ' N ' ' CD ' ' A' ' 15' ' ' PRO . 0.1 OUTLIER -58.24 -44.81 99.58 Favored Pre-proline 0 C--N 1.325 -0.477 0 O-C-N 124.506 1.129 . . . . 0.0 111.022 -162.214 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 15' ' ' PRO . . . . . 0.586 ' CD ' ' N ' ' A' ' 14' ' ' PHE . 18.6 Cg_endo -74.98 -33.78 4.34 Favored 'Trans proline' 0 C--N 1.359 1.118 0 O-C-N 124.547 1.814 . . . . 0.0 111.0 178.991 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 0.9 OUTLIER -59.99 -40.06 81.99 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.506 1.129 . . . . 0.0 109.291 177.29 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 88.1 m -75.11 -39.47 60.62 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.488 1.118 . . . . 0.0 108.313 -172.92 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 37.8 ttpt -70.01 -34.18 72.96 Favored 'General case' 0 C--N 1.327 -0.403 0 O-C-N 124.525 1.141 . . . . 0.0 109.332 -177.919 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 43.4 t -75.03 -50.95 14.83 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.518 1.136 . . . . 0.0 110.008 -178.137 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 25.4 tpt180 -83.1 -60.93 2.0 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.505 1.128 . . . . 0.0 110.315 -165.124 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 40.5 m-85 -99.61 -14.06 19.13 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.461 1.1 . . . . 0.0 111.011 -168.692 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 78.05 43.25 14.17 Favored Glycine 0 CA--C 1.53 0.986 0 O-C-N 124.44 1.087 . . . . 0.0 111.035 175.339 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 4.2 mptp? -101.79 160.41 14.49 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.495 0.762 . . . . 0.0 109.333 179.037 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 9.0 p -76.61 -36.44 57.47 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.507 1.129 . . . . 0.0 110.421 -170.42 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 58.7 t30 -156.74 158.39 36.8 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.504 1.127 . . . . 0.0 109.361 -177.324 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -142.73 148.21 19.88 Favored Glycine 0 CA--C 1.53 0.991 0 O-C-N 124.46 1.1 . . . . 0.0 110.958 177.117 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 99.8 mtt180 -135.17 149.64 49.99 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.517 0.775 . . . . 0.0 110.295 -177.572 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 8.5 t -88.46 98.47 11.65 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.48 1.113 . . . . 0.0 108.279 -173.025 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 99.6 t -95.04 110.67 24.33 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.503 1.127 . . . . 0.0 109.302 -179.884 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 35.7 m-20 58.38 37.02 25.85 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.506 1.128 . . . . 0.0 109.27 172.022 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . 85.17 11.01 76.91 Favored Glycine 0 CA--C 1.529 0.96 0 O-C-N 124.542 1.151 . . . . 0.0 110.995 170.186 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 32' ' ' PHE . . . . . . . . . . . . . 33.2 m-85 -137.17 146.05 44.48 Favored 'General case' 0 C--N 1.324 -0.537 0 O-C-N 124.437 0.728 . . . . 0.0 110.998 176.848 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 33' ' ' CYS . . . . . . . . . . . . . 96.1 m -73.39 138.82 45.52 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.453 1.095 . . . . 0.0 108.309 -171.968 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 9.8 t70 -126.99 122.28 34.06 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.509 1.131 . . . . 0.0 109.282 170.536 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 35' ' ' CYS . . . . . . . . . . . . . 72.0 m -107.95 139.85 41.95 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.508 1.13 . . . . 0.0 108.321 -168.478 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 36' ' ' PHE . . . . . . . . . . . . . 45.9 p90 . . . . . 0 C--N 1.324 -0.504 0 O-C-N 124.578 1.174 . . . . 0.0 110.988 179.784 . . . . . . . . 0 0 . 1 . 012 nuclear build core ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo . . . . . 0 N--CA 1.452 -0.919 0 N-CA-C 111.049 -0.404 . . . . 0.0 111.049 . . . . . . . . . 0 0 . 1 . 012 nuclear build core ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 25.9 p -123.47 -162.14 1.02 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.513 1.133 . . . . 0.0 110.378 -179.571 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 6.7 p-10 -122.33 16.08 10.56 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.476 1.11 . . . . 0.0 109.282 -178.152 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 5' ' ' ILE . . . . . . . . . . . . . 85.5 mt -80.53 114.56 21.64 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.508 1.13 . . . . 0.0 109.314 178.002 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 84.8 tttt -73.01 144.72 47.08 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.548 1.155 . . . . 0.0 109.284 -173.156 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 7' ' ' CYS . . . . . 0.457 ' SG ' ' SG ' ' A' ' 13' ' ' CYS . 6.1 p -154.21 153.06 31.11 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.526 1.141 . . . . 0.0 108.282 -178.218 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 20.7 p -93.99 -31.44 14.25 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.456 1.097 . . . . 0.0 110.011 170.515 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 47.1 mt-10 -149.47 163.15 38.61 Favored 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.568 1.167 . . . . 0.0 110.304 -163.686 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 56.0 m -79.93 -35.87 37.16 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.519 1.137 . . . . 0.0 110.056 -159.903 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 23.4 p90 -73.14 -6.18 44.01 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.518 1.136 . . . . 0.0 111.008 -175.303 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 91.4 mt-30 -76.07 -33.95 59.56 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.567 1.167 . . . . 0.0 110.294 170.882 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 13' ' ' CYS . . . . . 0.457 ' SG ' ' SG ' ' A' ' 7' ' ' CYS . 72.3 m -85.74 -35.33 20.86 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.525 1.141 . . . . 0.0 108.28 -170.783 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 14' ' ' PHE . . . . . 0.591 ' N ' ' CD ' ' A' ' 15' ' ' PRO . 0.1 OUTLIER -58.77 -44.82 99.44 Favored Pre-proline 0 C--N 1.325 -0.47 0 O-C-N 124.505 1.128 . . . . 0.0 111.032 -162.683 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 15' ' ' PRO . . . . . 0.591 ' CD ' ' N ' ' A' ' 14' ' ' PHE . 18.3 Cg_endo -74.97 -30.03 7.66 Favored 'Trans proline' 0 C--N 1.36 1.158 0 O-C-N 124.494 1.786 . . . . 0.0 110.99 179.834 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 0.9 OUTLIER -64.1 -38.11 81.59 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.435 1.084 . . . . 0.0 109.316 176.611 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 91.6 m -74.99 -42.85 56.72 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.452 1.095 . . . . 0.0 108.301 -176.942 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 37.4 ttpt -61.88 -39.67 92.72 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.455 1.097 . . . . 0.0 109.345 -179.05 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 40.3 t -74.54 -63.2 1.29 Allowed 'General case' 0 C--N 1.326 -0.423 0 O-C-N 124.456 1.097 . . . . 0.0 110.012 -175.917 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 4.4 tmt_? -85.12 -46.96 10.63 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.434 1.084 . . . . 0.0 110.371 -162.083 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 68.5 m-85 -90.3 -21.41 22.07 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.462 1.101 . . . . 0.0 110.979 -172.42 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 73.67 36.47 53.56 Favored Glycine 0 CA--C 1.529 0.968 0 O-C-N 124.468 1.105 . . . . 0.0 111.044 178.678 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -102.19 165.7 11.0 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.48 0.753 . . . . 0.0 109.249 -177.898 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 7.5 p -77.6 -37.49 50.21 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.5 1.125 . . . . 0.0 110.4 -171.022 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 52.2 t30 -157.75 158.97 36.31 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.474 1.109 . . . . 0.0 109.251 -177.063 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -144.4 148.64 20.5 Favored Glycine 0 CA--C 1.529 0.938 0 O-C-N 124.448 1.093 . . . . 0.0 111.025 178.073 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 99.7 mtt180 -139.1 156.67 46.98 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.477 0.751 . . . . 0.0 110.311 -178.455 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 11.1 t -91.25 101.56 14.28 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.552 1.158 . . . . 0.0 108.28 -173.149 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 88.1 t -96.06 109.85 23.47 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.444 0 O-C-N 124.501 1.126 . . . . 0.0 109.265 -178.389 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 32.2 m120 53.48 41.7 32.07 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.476 1.11 . . . . 0.0 109.267 175.304 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . 85.69 7.68 81.24 Favored Glycine 0 CA--C 1.529 0.95 0 O-C-N 124.483 1.114 . . . . 0.0 111.041 167.485 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 32' ' ' PHE . . . . . . . . . . . . . 67.6 m-85 -139.34 143.18 37.69 Favored 'General case' 0 C--N 1.327 -0.411 0 O-C-N 124.429 0.723 . . . . 0.0 110.988 178.301 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 33' ' ' CYS . . . . . . . . . . . . . 91.8 m -70.65 144.71 51.0 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.532 1.145 . . . . 0.0 108.303 -167.837 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 10.3 t70 -132.45 126.26 32.63 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.471 1.107 . . . . 0.0 109.316 168.594 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 35' ' ' CYS . . . . . . . . . . . . . 65.9 m -102.38 142.31 33.8 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.53 1.144 . . . . 0.0 108.257 -174.913 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 36' ' ' PHE . . . . . . . . . . . . . 50.4 p90 . . . . . 0 C--N 1.326 -0.451 0 O-C-N 124.551 1.157 . . . . 0.0 110.994 176.726 . . . . . . . . 0 0 . 1 . 013 nuclear build core ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo . . . . . 0 N--CA 1.453 -0.858 0 N-CA-C 110.996 -0.425 . . . . 0.0 110.996 . . . . . . . . . 0 0 . 1 . 013 nuclear build core ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 29.1 p -133.17 -165.27 1.59 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.622 1.201 . . . . 0.0 110.412 179.61 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 12.0 p-10 -101.94 -5.64 24.43 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.481 1.113 . . . . 0.0 109.351 -174.957 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 5' ' ' ILE . . . . . . . . . . . . . 82.2 mt -80.35 118.68 28.42 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.443 0 O-C-N 124.485 1.115 . . . . 0.0 109.333 -172.954 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 27.7 mtpp -79.66 153.21 29.51 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.546 1.154 . . . . 0.0 109.298 -179.107 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 7' ' ' CYS . . . . . 0.668 ' SG ' ' SG ' ' A' ' 13' ' ' CYS . 4.7 p -157.17 155.39 30.85 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.495 1.122 . . . . 0.0 108.297 -178.608 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 97.5 p -95.36 -28.14 15.1 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.494 1.121 . . . . 0.0 110.106 171.058 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 1.5 mp0 -149.33 161.26 42.41 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.516 1.135 . . . . 0.0 110.328 -163.317 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 74.3 m -80.01 -33.66 39.1 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.605 1.191 . . . . 0.0 110.039 -163.49 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 15.6 p90 -70.27 -11.25 60.77 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.554 1.159 . . . . 0.0 111.013 -176.523 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 74.8 mt-30 -75.02 -35.99 61.94 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.47 1.106 . . . . 0.0 110.343 173.322 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 13' ' ' CYS . . . . . 0.668 ' SG ' ' SG ' ' A' ' 7' ' ' CYS . 76.4 m -85.73 -35.93 20.49 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.488 1.118 . . . . 0.0 108.357 -169.553 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 14' ' ' PHE . . . . . 0.598 ' N ' ' CD ' ' A' ' 15' ' ' PRO . 0.1 OUTLIER -59.07 -44.31 98.54 Favored Pre-proline 0 C--N 1.325 -0.486 0 O-C-N 124.437 1.086 . . . . 0.0 111.019 -161.438 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 15' ' ' PRO . . . . . 0.598 ' CD ' ' N ' ' A' ' 14' ' ' PHE . 18.5 Cg_endo -74.95 -34.02 4.2 Favored 'Trans proline' 0 C--N 1.36 1.164 0 O-C-N 124.47 1.774 . . . . 0.0 111.026 179.116 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 0.9 OUTLIER -58.67 -39.53 76.57 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 O-C-N 124.473 1.108 . . . . 0.0 109.358 175.377 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 91.5 m -75.02 -44.65 46.76 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.52 1.138 . . . . 0.0 108.304 -175.199 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 61.0 tttp -63.89 -37.12 86.24 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.447 1.092 . . . . 0.0 109.302 -176.017 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 42.8 t -78.01 -62.8 1.56 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.478 1.111 . . . . 0.0 110.042 -176.537 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 4.3 tmt_? -85.02 -45.34 12.23 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.457 1.098 . . . . 0.0 110.291 -161.523 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 69.6 m-85 -90.93 -20.59 22.02 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.519 1.137 . . . . 0.0 111.0 -173.136 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 75.38 41.93 29.22 Favored Glycine 0 CA--C 1.53 0.974 0 O-C-N 124.41 1.069 . . . . 0.0 110.952 174.22 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -109.69 169.9 8.41 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.463 0.743 . . . . 0.0 109.275 -177.187 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 9.4 p -78.76 -35.9 43.85 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.545 1.153 . . . . 0.0 110.393 -173.398 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 60.9 t30 -157.26 161.92 39.21 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.482 1.114 . . . . 0.0 109.302 -175.995 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -138.61 161.2 25.75 Favored Glycine 0 CA--C 1.53 0.982 0 O-C-N 124.567 1.167 . . . . 0.0 111.004 175.074 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 55.3 ttm-85 -153.23 143.25 22.2 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.471 0.747 . . . . 0.0 110.319 -178.026 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 9.3 t -86.02 99.07 11.21 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.484 1.115 . . . . 0.0 108.258 -175.75 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 99.0 t -98.19 113.45 32.87 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.529 1.143 . . . . 0.0 109.268 -179.756 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 38.0 m-20 58.31 36.3 25.48 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.479 1.112 . . . . 0.0 109.294 172.603 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . 83.49 11.93 79.2 Favored Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.484 1.115 . . . . 0.0 110.976 170.07 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 32' ' ' PHE . . . . . . . . . . . . . 32.9 m-85 -135.18 147.14 49.3 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.466 0.745 . . . . 0.0 110.968 176.113 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 33' ' ' CYS . . . . . . . . . . . . . 84.3 m -74.79 136.47 41.66 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.557 1.161 . . . . 0.0 108.284 -173.311 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 44.2 t0 -124.93 124.87 42.96 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.429 1.081 . . . . 0.0 109.328 172.697 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 35' ' ' CYS . . . . . . . . . . . . . 70.2 m -109.71 132.64 53.96 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.428 1.08 . . . . 0.0 108.222 -172.027 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 36' ' ' PHE . . . . . . . . . . . . . 38.4 p90 . . . . . 0 C--N 1.325 -0.463 0 O-C-N 124.489 1.118 . . . . 0.0 111.027 -177.089 . . . . . . . . 0 0 . 1 . 014 nuclear build core ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo . . . . . 0 N--CA 1.453 -0.91 0 N-CA-C 110.996 -0.425 . . . . 0.0 110.996 . . . . . . . . . 0 0 . 1 . 014 nuclear build core ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 22.7 p -132.71 -164.77 1.51 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.495 1.122 . . . . 0.0 110.424 174.477 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 12.6 p-10 -104.05 -5.06 22.49 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.545 1.153 . . . . 0.0 109.252 -175.525 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 5' ' ' ILE . . . . . . . . . . . . . 68.3 mt -77.34 120.61 28.15 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.527 0 O-C-N 124.579 1.174 . . . . 0.0 109.318 -171.192 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 1.9 mmpt? -77.19 146.74 36.86 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.47 1.106 . . . . 0.0 109.271 -177.558 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 7' ' ' CYS . . . . . 0.643 ' SG ' ' SG ' ' A' ' 13' ' ' CYS . 7.1 p -156.41 159.02 38.32 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.514 1.134 . . . . 0.0 108.33 178.119 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 88.4 p -102.0 -23.76 14.07 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.436 1.085 . . . . 0.0 110.059 170.966 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -150.71 159.95 44.17 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.471 1.107 . . . . 0.0 110.251 -164.868 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 63.2 m -79.36 -32.96 43.29 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.481 1.113 . . . . 0.0 110.0 -164.073 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 15.5 p90 -72.8 -10.15 59.47 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.535 1.147 . . . . 0.0 110.973 -176.137 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 53.3 mt-30 -74.63 -35.06 62.89 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.525 1.14 . . . . 0.0 110.244 171.018 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 13' ' ' CYS . . . . . 0.643 ' SG ' ' SG ' ' A' ' 7' ' ' CYS . 79.4 m -85.52 -40.03 16.78 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.468 1.105 . . . . 0.0 108.324 -168.239 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 14' ' ' PHE . . . . . 0.585 ' N ' ' CD ' ' A' ' 15' ' ' PRO . 0.1 OUTLIER -57.95 -44.64 99.52 Favored Pre-proline 0 C--N 1.325 -0.47 0 O-C-N 124.511 1.132 . . . . 0.0 111.003 -161.399 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 15' ' ' PRO . . . . . 0.585 ' CD ' ' N ' ' A' ' 14' ' ' PHE . 17.9 Cg_endo -75.09 -30.65 6.81 Favored 'Trans proline' 0 C--N 1.36 1.142 0 O-C-N 124.441 1.759 . . . . 0.0 110.941 179.562 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 1.1 t -68.5 -36.62 75.51 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.502 1.126 . . . . 0.0 109.313 -177.551 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 91.4 m -74.86 -41.93 58.89 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.531 1.144 . . . . 0.0 108.321 -177.086 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 40.3 tttp -70.21 -29.36 66.17 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.542 1.151 . . . . 0.0 109.294 -175.959 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 42.9 t -76.37 -51.84 11.1 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.453 1.095 . . . . 0.0 109.987 177.195 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 1.3 tpm_? -77.96 -60.64 2.29 Favored 'General case' 0 C--N 1.326 -0.426 0 O-C-N 124.474 1.109 . . . . 0.0 110.374 -168.548 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 36.3 m-85 -94.45 -25.19 17.0 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.494 1.121 . . . . 0.0 111.037 -168.944 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 83.88 25.13 46.67 Favored Glycine 0 CA--C 1.529 0.949 0 O-C-N 124.536 1.147 . . . . 0.0 111.029 178.369 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 30.7 mttp -83.54 165.08 19.39 Favored 'General case' 0 C--N 1.326 -0.43 0 O-C-N 124.508 0.769 . . . . 0.0 109.358 176.977 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 1.4 p -74.67 -35.03 62.8 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.53 1.144 . . . . 0.0 110.395 -167.631 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 6.4 t-20 -160.17 165.69 31.12 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.496 1.122 . . . . 0.0 109.331 -176.548 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -158.71 143.73 9.6 Favored Glycine 0 CA--C 1.529 0.959 0 O-C-N 124.501 1.125 . . . . 0.0 110.998 177.442 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 97.5 mtt180 -143.94 156.08 44.29 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.438 0.729 . . . . 0.0 110.353 -171.044 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 5.2 t -90.78 105.98 18.2 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.511 1.132 . . . . 0.0 108.297 -166.281 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 97.0 t -104.4 112.85 39.63 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.505 1.128 . . . . 0.0 109.294 178.216 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 36.3 m-20 58.22 34.56 24.23 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.421 1.076 . . . . 0.0 109.313 173.042 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . 92.89 -3.0 73.25 Favored Glycine 0 CA--C 1.529 0.968 0 O-C-N 124.464 1.102 . . . . 0.0 111.031 168.675 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 32' ' ' PHE . . . . . . . . . . . . . 54.3 m-85 -124.38 144.56 49.97 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.499 0.764 . . . . 0.0 110.975 -179.305 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 33' ' ' CYS . . . . . . . . . . . . . 91.9 m -70.52 140.62 51.87 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.499 1.124 . . . . 0.0 108.314 -174.772 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 12.1 t70 -131.03 109.92 10.85 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.493 1.12 . . . . 0.0 109.273 178.274 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 35' ' ' CYS . . . . . . . . . . . . . 60.2 m -107.05 137.06 45.84 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.471 1.107 . . . . 0.0 108.328 -163.562 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 36' ' ' PHE . . . . . . . . . . . . . 46.8 p90 . . . . . 0 C--N 1.324 -0.51 0 O-C-N 124.604 1.19 . . . . 0.0 110.979 -177.491 . . . . . . . . 0 0 . 1 . 015 nuclear build core ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo . . . . . 0 N--CA 1.454 -0.847 0 N-CA-C 111.028 -0.412 . . . . 0.0 111.028 . . . . . . . . . 0 0 . 1 . 015 nuclear build core ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 31.6 p -126.62 -164.11 1.3 Allowed 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.422 1.076 . . . . 0.0 110.453 172.793 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 36.6 p-10 -108.6 6.28 25.78 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.468 1.105 . . . . 0.0 109.312 -175.863 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 5' ' ' ILE . . . . . . . . . . . . . 74.2 mt -82.42 111.57 19.01 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.535 1.147 . . . . 0.0 109.341 -178.002 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 19.5 ptmt -69.88 153.67 42.98 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.53 1.144 . . . . 0.0 109.355 179.944 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 7' ' ' CYS . . . . . 0.441 ' SG ' ' SG ' ' A' ' 13' ' ' CYS . 8.6 p -160.72 154.73 22.8 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.446 1.092 . . . . 0.0 108.24 -178.191 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 77.6 p -95.37 -29.67 14.32 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.465 1.103 . . . . 0.0 109.978 170.141 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 47.8 mm-40 -149.47 162.19 40.63 Favored 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.556 1.16 . . . . 0.0 110.337 -165.416 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 21.5 m -80.15 -32.81 38.85 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.474 1.109 . . . . 0.0 109.999 -163.732 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 16.0 p90 -69.87 -12.05 61.33 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.5 1.125 . . . . 0.0 111.006 -176.864 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 82.6 mt-30 -75.42 -33.26 60.92 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.505 1.128 . . . . 0.0 110.301 173.633 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 13' ' ' CYS . . . . . 0.441 ' SG ' ' SG ' ' A' ' 7' ' ' CYS . 64.2 m -85.77 -32.91 21.57 Favored 'General case' 0 C--N 1.326 -0.426 0 O-C-N 124.456 1.097 . . . . 0.0 108.316 -170.738 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 14' ' ' PHE . . . . . 0.598 ' N ' ' CD ' ' A' ' 15' ' ' PRO . 0.1 OUTLIER -57.48 -45.26 99.88 Favored Pre-proline 0 C--N 1.325 -0.462 0 O-C-N 124.488 1.117 . . . . 0.0 111.068 -162.08 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 15' ' ' PRO . . . . . 0.598 ' CD ' ' N ' ' A' ' 14' ' ' PHE . 18.6 Cg_endo -74.98 -35.78 2.96 Favored 'Trans proline' 0 C--N 1.36 1.137 0 O-C-N 124.557 1.82 . . . . 0.0 111.025 -179.246 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 0.9 OUTLIER -55.87 -42.95 72.78 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.521 0 O-C-N 124.467 1.105 . . . . 0.0 109.291 174.448 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 96.7 m -75.07 -46.0 37.67 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.484 1.115 . . . . 0.0 108.314 -173.773 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 1.1 tmtp? -63.6 -34.68 78.35 Favored 'General case' 0 C--N 1.326 -0.414 0 O-C-N 124.474 1.108 . . . . 0.0 109.358 -175.37 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 43.2 t -78.24 -65.41 0.98 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.514 1.133 . . . . 0.0 110.015 -176.978 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 3.3 tmm_? -85.07 -40.04 17.27 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.402 1.064 . . . . 0.0 110.276 -159.326 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 74.2 m-85 -92.22 -21.43 20.35 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.462 1.101 . . . . 0.0 111.047 -177.314 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 78.75 26.2 59.1 Favored Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.44 1.087 . . . . 0.0 110.998 174.485 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 18.7 mmtt -85.17 174.55 9.57 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.523 0.778 . . . . 0.0 109.301 -177.352 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 7.3 p -78.1 -43.13 29.9 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.414 1.071 . . . . 0.0 110.457 177.942 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 48.0 t30 -163.02 161.5 25.49 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.486 1.116 . . . . 0.0 109.306 -175.86 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -138.94 169.73 24.31 Favored Glycine 0 CA--C 1.53 0.987 0 O-C-N 124.568 1.168 . . . . 0.0 111.023 177.204 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 12.2 ptm85 -156.88 156.96 34.02 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.497 0.763 . . . . 0.0 110.31 -178.593 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 5.1 t -91.49 109.12 20.41 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.502 1.126 . . . . 0.0 108.327 -173.053 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 90.9 t -102.95 111.81 34.1 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.558 1.161 . . . . 0.0 109.312 176.504 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 37.0 m-20 57.86 36.86 26.73 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.467 1.104 . . . . 0.0 109.219 171.604 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . 85.34 10.88 76.59 Favored Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.529 1.143 . . . . 0.0 110.944 169.592 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 32' ' ' PHE . . . . . . . . . . . . . 44.0 m-85 -140.16 145.63 37.76 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.519 0.776 . . . . 0.0 110.945 176.867 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 33' ' ' CYS . . . . . . . . . . . . . 90.6 m -71.95 147.49 46.93 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.517 1.136 . . . . 0.0 108.284 -166.913 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 11.4 t0 -137.86 121.27 17.11 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.475 1.109 . . . . 0.0 109.277 172.849 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 35' ' ' CYS . . . . . . . . . . . . . 52.7 m -105.99 134.36 49.25 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.532 1.145 . . . . 0.0 108.279 -170.868 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 36' ' ' PHE . . . . . . . . . . . . . 52.6 p90 . . . . . 0 C--N 1.325 -0.5 0 O-C-N 124.461 1.101 . . . . 0.0 111.024 -177.384 . . . . . . . . 0 0 . 1 . 016 nuclear build core ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo . . . . . 0 N--CA 1.452 -0.928 0 N-CA-C 111.021 -0.415 . . . . 0.0 111.021 . . . . . . . . . 0 0 . 1 . 016 nuclear build core ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 32.2 p -123.98 -164.44 1.24 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.557 1.161 . . . . 0.0 110.364 -177.969 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 15.5 p-10 -104.51 -1.32 26.79 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.446 1.091 . . . . 0.0 109.325 -174.843 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 5' ' ' ILE . . . . . . . . . . . . . 82.3 mt -77.37 119.92 26.87 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.437 0 O-C-N 124.436 1.085 . . . . 0.0 109.297 -173.7 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 64.5 mttp -79.37 150.64 31.33 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.451 1.095 . . . . 0.0 109.262 -176.074 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 7' ' ' CYS . . . . . 0.728 ' SG ' ' SG ' ' A' ' 13' ' ' CYS . 5.5 p -158.28 154.99 28.06 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.532 1.145 . . . . 0.0 108.289 179.743 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 88.1 p -99.55 -26.88 13.95 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.492 1.12 . . . . 0.0 109.973 171.83 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 49.2 mt-10 -149.28 161.4 42.12 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.502 1.126 . . . . 0.0 110.298 -165.864 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 57.9 m -80.43 -34.51 36.06 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.483 1.114 . . . . 0.0 109.97 -159.155 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 23.2 p90 -72.65 -7.03 48.32 Favored 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.499 1.124 . . . . 0.0 111.028 -175.778 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 63.0 mt-30 -74.29 -38.68 63.31 Favored 'General case' 0 C--N 1.326 -0.424 0 O-C-N 124.494 1.121 . . . . 0.0 110.279 168.838 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 13' ' ' CYS . . . . . 0.728 ' SG ' ' SG ' ' A' ' 7' ' ' CYS . 76.5 m -85.67 -40.04 16.6 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.592 1.183 . . . . 0.0 108.349 -168.644 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 14' ' ' PHE . . . . . 0.595 ' N ' ' CD ' ' A' ' 15' ' ' PRO . 0.1 OUTLIER -57.82 -44.95 99.8 Favored Pre-proline 0 C--N 1.325 -0.483 0 O-C-N 124.511 1.132 . . . . 0.0 111.042 -161.659 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 15' ' ' PRO . . . . . 0.595 ' CD ' ' N ' ' A' ' 14' ' ' PHE . 18.1 Cg_endo -75.03 -29.61 8.0 Favored 'Trans proline' 0 C--N 1.36 1.148 0 O-C-N 124.406 1.74 . . . . 0.0 110.969 -178.811 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 1.0 OUTLIER -68.08 -35.59 72.21 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.525 0 O-C-N 124.459 1.099 . . . . 0.0 109.248 178.667 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 69.0 m -72.87 -45.54 57.71 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.534 1.146 . . . . 0.0 108.368 179.576 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 14.8 tmtt? -65.15 -35.25 80.5 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.523 1.139 . . . . 0.0 109.29 -175.39 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 43.4 t -79.27 -61.5 1.99 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.585 1.178 . . . . 0.0 110.007 -176.97 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 4.4 tmt_? -83.43 -46.22 12.76 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.484 1.115 . . . . 0.0 110.333 -161.593 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 75.2 m-85 -90.76 -21.6 21.47 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.528 1.142 . . . . 0.0 110.974 -175.922 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 80.47 25.12 57.56 Favored Glycine 0 CA--C 1.531 1.051 0 O-C-N 124.503 1.127 . . . . 0.0 111.033 172.195 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 2.4 mtpt -87.32 174.39 8.59 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.6 0.823 . . . . 0.0 109.276 -177.154 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 1.3 p -74.89 -38.2 61.92 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.522 1.139 . . . . 0.0 110.365 -177.242 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 5.3 t-20 -163.31 166.98 22.45 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.458 1.099 . . . . 0.0 109.336 -173.05 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -147.7 163.77 28.8 Favored Glycine 0 CA--C 1.531 1.071 0 O-C-N 124.514 1.134 . . . . 0.0 111.014 176.612 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 74.5 ttt180 -153.85 145.81 23.58 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.515 0.774 . . . . 0.0 110.267 -177.677 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 12.5 t -83.77 102.01 12.0 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.583 1.177 . . . . 0.0 108.356 -177.308 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 96.0 t -97.97 111.0 26.71 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.493 1.121 . . . . 0.0 109.287 179.549 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 37.5 m-20 58.35 37.25 25.91 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.477 1.11 . . . . 0.0 109.349 170.981 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . 87.27 8.52 74.7 Favored Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.546 1.154 . . . . 0.0 110.96 169.14 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 32' ' ' PHE . . . . . . . . . . . . . 45.7 m-85 -136.65 145.59 44.98 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.546 0.792 . . . . 0.0 110.942 177.366 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 33' ' ' CYS . . . . . . . . . . . . . 94.0 m -72.76 140.07 47.51 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.48 1.113 . . . . 0.0 108.302 -172.577 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 10.5 t70 -132.56 126.62 33.24 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.474 1.109 . . . . 0.0 109.35 172.204 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 35' ' ' CYS . . . . . . . . . . . . . 38.6 m -104.52 144.37 31.77 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.519 1.137 . . . . 0.0 108.302 -174.645 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 36' ' ' PHE . . . . . . . . . . . . . 30.9 p90 . . . . . 0 C--N 1.325 -0.475 0 O-C-N 124.476 1.11 . . . . 0.0 110.998 177.671 . . . . . . . . 0 0 . 1 . 017 nuclear build core ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo . . . . . 0 N--CA 1.453 -0.882 0 N-CA-C 111.032 -0.411 . . . . 0.0 111.032 . . . . . . . . . 0 0 . 1 . 017 nuclear build core ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 33.7 p -133.06 -165.37 1.6 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.483 1.115 . . . . 0.0 110.389 -174.259 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 8.3 p-10 -97.82 -8.6 28.07 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.494 1.121 . . . . 0.0 109.359 -174.976 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 5' ' ' ILE . . . . . . . . . . . . . 68.2 mt -81.73 117.36 27.59 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.501 1.126 . . . . 0.0 109.297 -168.087 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 55.6 tttm -80.09 145.07 32.61 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.421 1.075 . . . . 0.0 109.237 176.315 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 7' ' ' CYS . . . . . 0.545 ' SG ' ' SG ' ' A' ' 13' ' ' CYS . 8.6 p -152.01 158.4 43.02 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.507 1.129 . . . . 0.0 108.314 -177.261 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 88.1 p -102.37 -21.29 14.31 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.494 1.121 . . . . 0.0 110.059 172.54 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -152.7 161.28 42.77 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.516 1.135 . . . . 0.0 110.242 -168.737 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 66.4 m -80.17 -33.24 38.5 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.525 1.141 . . . . 0.0 109.966 -164.391 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 14.6 p90 -71.15 -11.09 60.75 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.493 1.12 . . . . 0.0 110.996 -177.093 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 76.5 mt-30 -75.77 -29.84 58.93 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.425 1.078 . . . . 0.0 110.278 172.626 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 13' ' ' CYS . . . . . 0.545 ' SG ' ' SG ' ' A' ' 7' ' ' CYS . 83.2 m -85.4 -39.9 17.07 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.517 1.135 . . . . 0.0 108.29 -170.808 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 14' ' ' PHE . . . . . 0.586 ' N ' ' CD ' ' A' ' 15' ' ' PRO . 0.0 OUTLIER -56.2 -46.03 99.84 Favored Pre-proline 0 C--N 1.325 -0.469 0 O-C-N 124.523 1.14 . . . . 0.0 110.996 -161.559 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 15' ' ' PRO . . . . . 0.586 ' CD ' ' N ' ' A' ' 14' ' ' PHE . 18.2 Cg_endo -75.01 -29.9 7.71 Favored 'Trans proline' 0 C--N 1.36 1.166 0 O-C-N 124.534 1.807 . . . . 0.0 111.042 -178.607 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 1.1 t -69.76 -35.65 66.34 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.439 0 O-C-N 124.506 1.128 . . . . 0.0 109.325 -179.221 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 83.1 m -73.5 -37.37 65.72 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.523 1.14 . . . . 0.0 108.292 -177.699 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 37.7 ttpt -70.0 -32.56 70.8 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.445 1.091 . . . . 0.0 109.3 -179.95 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 44.4 t -72.69 -51.25 20.1 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.46 1.1 . . . . 0.0 110.021 179.3 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 68.5 ttt180 -83.65 -59.67 2.36 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.499 1.124 . . . . 0.0 110.291 -166.58 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 46.1 m-85 -94.26 -20.9 19.39 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.377 1.048 . . . . 0.0 111.072 -170.076 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 81.46 24.95 55.58 Favored Glycine 0 CA--C 1.53 0.986 0 O-C-N 124.545 1.153 . . . . 0.0 110.984 -177.436 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 94.3 mttt -91.18 159.72 15.92 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.477 0.751 . . . . 0.0 109.246 -177.5 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 7.4 p -75.0 -41.45 59.47 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.505 1.128 . . . . 0.0 110.39 -166.314 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 4.0 t-20 -159.95 164.95 32.96 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.483 1.114 . . . . 0.0 109.286 -175.832 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -146.37 159.41 27.97 Favored Glycine 0 CA--C 1.53 0.989 0 O-C-N 124.426 1.079 . . . . 0.0 110.995 177.596 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 59.0 ttt85 -129.93 138.69 51.02 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.488 0.758 . . . . 0.0 110.322 -177.957 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 6.2 t -81.74 91.82 6.53 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.482 1.114 . . . . 0.0 108.31 -175.38 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 78.1 t -94.9 118.12 40.28 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.515 0 O-C-N 124.48 1.113 . . . . 0.0 109.313 -178.354 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 34.5 m-20 57.24 33.92 24.01 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.462 1.101 . . . . 0.0 109.268 176.854 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . 82.23 13.58 78.59 Favored Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.545 1.153 . . . . 0.0 111.036 170.583 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 32' ' ' PHE . . . . . . . . . . . . . 25.4 m-85 -140.06 147.82 40.88 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.476 0.75 . . . . 0.0 111.038 177.641 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 33' ' ' CYS . . . . . . . . . . . . . 80.2 m -74.33 137.87 43.12 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.539 1.149 . . . . 0.0 108.28 -166.712 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 51.4 t0 -124.76 111.83 16.0 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.515 1.135 . . . . 0.0 109.345 170.218 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 35' ' ' CYS . . . . . . . . . . . . . 75.9 m -102.49 143.65 31.93 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.421 1.075 . . . . 0.0 108.33 -165.634 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 36' ' ' PHE . . . . . . . . . . . . . 16.5 p90 . . . . . 0 C--N 1.324 -0.509 0 O-C-N 124.51 1.131 . . . . 0.0 110.976 -178.857 . . . . . . . . 0 0 . 1 . 018 nuclear build core ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo . . . . . 0 N--CA 1.453 -0.884 0 N-CA-C 110.994 -0.426 . . . . 0.0 110.994 . . . . . . . . . 0 0 . 1 . 018 nuclear build core ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 52.3 p -126.98 -159.58 0.94 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.496 1.123 . . . . 0.0 110.393 -177.852 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 19.2 p-10 -127.37 20.04 6.81 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.553 1.158 . . . . 0.0 109.314 170.491 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 5' ' ' ILE . . . . . . . . . . . . . 57.8 mt -74.48 113.34 12.84 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.478 1.111 . . . . 0.0 109.33 177.074 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 84.5 tttt -75.12 144.44 42.84 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.425 1.078 . . . . 0.0 109.267 -170.004 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 7' ' ' CYS . . . . . 0.505 ' SG ' ' SG ' ' A' ' 13' ' ' CYS . 6.3 p -154.99 156.19 35.55 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.522 1.139 . . . . 0.0 108.303 -178.066 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 91.1 p -98.37 -26.43 14.49 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.464 1.102 . . . . 0.0 110.092 171.228 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 3.5 mm-40 -149.88 161.01 43.11 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.503 1.127 . . . . 0.0 110.31 -164.844 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 37.5 m -80.0 -33.64 39.15 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.52 1.137 . . . . 0.0 109.978 -163.437 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 16.1 p90 -70.53 -10.89 60.36 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.519 1.137 . . . . 0.0 110.944 -176.423 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 75.0 mt-30 -75.01 -33.6 61.83 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.512 1.132 . . . . 0.0 110.281 173.245 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 13' ' ' CYS . . . . . 0.505 ' SG ' ' SG ' ' A' ' 7' ' ' CYS . 84.8 m -85.71 -35.42 20.85 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.449 1.093 . . . . 0.0 108.268 -169.939 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 14' ' ' PHE . . . . . 0.587 ' N ' ' CD ' ' A' ' 15' ' ' PRO . 0.1 OUTLIER -58.25 -44.82 99.58 Favored Pre-proline 0 C--N 1.324 -0.513 0 O-C-N 124.563 1.165 . . . . 0.0 111.009 -162.225 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 15' ' ' PRO . . . . . 0.587 ' CD ' ' N ' ' A' ' 14' ' ' PHE . 18.4 Cg_endo -75.05 -34.07 4.06 Favored 'Trans proline' 0 C--N 1.36 1.14 0 O-C-N 124.483 1.781 . . . . 0.0 111.011 179.298 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 0.9 OUTLIER -58.92 -39.81 78.74 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.554 1.159 . . . . 0.0 109.335 176.017 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 93.5 m -75.23 -41.01 58.52 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.535 1.147 . . . . 0.0 108.361 -174.274 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 28.2 ttpp -66.61 -31.87 72.85 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.493 1.121 . . . . 0.0 109.225 -178.196 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 44.4 t -76.22 -50.05 15.5 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.415 1.072 . . . . 0.0 109.953 179.567 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 49.5 tpt85 -79.2 -58.37 3.26 Favored 'General case' 0 C--N 1.324 -0.533 0 O-C-N 124.536 1.148 . . . . 0.0 110.285 -167.557 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 68.4 m-85 -99.76 -19.99 16.46 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.408 1.067 . . . . 0.0 110.961 -168.667 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 78.11 27.86 57.3 Favored Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.521 1.138 . . . . 0.0 110.977 -177.513 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 25.0 mmtt -81.47 170.76 15.54 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.52 0.776 . . . . 0.0 109.346 -179.218 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 8.2 p -87.12 -31.1 20.6 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.495 1.122 . . . . 0.0 110.429 -169.485 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 55.2 t30 -164.48 157.72 17.54 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.518 1.136 . . . . 0.0 109.287 -179.138 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -142.65 147.48 18.94 Favored Glycine 0 CA--C 1.53 1.023 0 O-C-N 124.487 1.117 . . . . 0.0 111.028 177.726 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 99.7 mtt180 -135.21 153.47 51.93 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.571 0.807 . . . . 0.0 110.282 -177.092 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 9.0 t -90.59 97.03 10.94 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.441 1.088 . . . . 0.0 108.274 -172.491 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 97.9 t -95.05 113.21 28.97 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 O-C-N 124.532 1.145 . . . . 0.0 109.282 -178.433 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 33.1 m-20 58.1 35.71 25.35 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.487 1.117 . . . . 0.0 109.306 174.411 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . 84.35 10.04 80.72 Favored Glycine 0 CA--C 1.53 0.98 0 O-C-N 124.469 1.106 . . . . 0.0 111.026 170.742 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 32' ' ' PHE . . . . . . . . . . . . . 73.3 m-85 -138.44 145.17 40.59 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.428 0.722 . . . . 0.0 110.998 178.557 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 33' ' ' CYS . . . . . . . . . . . . . 82.4 m -70.93 142.9 51.08 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.455 1.097 . . . . 0.0 108.3 -169.727 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 61.4 t0 -136.62 127.17 26.91 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.519 1.137 . . . . 0.0 109.307 168.142 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 35' ' ' CYS . . . . . . . . . . . . . 33.9 m -109.71 145.6 36.3 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.498 1.124 . . . . 0.0 108.299 -167.869 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 36' ' ' PHE . . . . . . . . . . . . . 42.6 p90 . . . . . 0 C--N 1.325 -0.482 0 O-C-N 124.504 1.128 . . . . 0.0 111.016 -179.997 . . . . . . . . 0 0 . 1 . 019 nuclear build core ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 18.7 Cg_endo . . . . . 0 N--CA 1.453 -0.902 0 N-CA-C 111.058 -0.401 . . . . 0.0 111.058 . . . . . . . . . 0 0 . 1 . 019 nuclear build core ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 13.2 p -132.59 -163.49 1.35 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.511 1.132 . . . . 0.0 110.46 171.764 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 16.0 p-10 -114.25 4.2 15.39 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.459 1.099 . . . . 0.0 109.329 -179.094 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 5' ' ' ILE . . . . . . . . . . . . . 85.5 mt -79.84 119.6 29.58 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.473 1.108 . . . . 0.0 109.309 -173.977 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 17.2 tptm -78.65 139.15 38.56 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.455 1.097 . . . . 0.0 109.322 -176.741 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 7' ' ' CYS . . . . . 0.617 ' SG ' ' SG ' ' A' ' 13' ' ' CYS . 8.1 p -151.9 158.17 42.83 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.52 1.138 . . . . 0.0 108.28 -178.796 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 90.6 p -95.23 -31.03 13.68 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.555 1.159 . . . . 0.0 110.038 167.765 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 23.9 mt-10 -149.08 159.94 43.78 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.451 1.095 . . . . 0.0 110.253 -156.261 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 73.6 m -78.3 -32.96 49.6 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.491 1.119 . . . . 0.0 109.985 -161.926 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 13.4 p90 -70.98 -14.03 62.21 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.532 1.145 . . . . 0.0 111.089 -175.387 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 52.8 mt-30 -72.37 -35.92 68.6 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.477 1.111 . . . . 0.0 110.338 172.415 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 13' ' ' CYS . . . . . 0.617 ' SG ' ' SG ' ' A' ' 7' ' ' CYS . 83.9 m -85.69 -40.0 16.62 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.427 1.079 . . . . 0.0 108.296 -166.909 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 14' ' ' PHE . . . . . 0.584 ' N ' ' CD ' ' A' ' 15' ' ' PRO . 0.1 OUTLIER -58.46 -44.89 99.6 Favored Pre-proline 0 C--N 1.324 -0.521 0 O-C-N 124.552 1.158 . . . . 0.0 110.998 -161.022 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 15' ' ' PRO . . . . . 0.584 ' CD ' ' N ' ' A' ' 14' ' ' PHE . 18.2 Cg_endo -75.02 -30.32 7.26 Favored 'Trans proline' 0 C--N 1.361 1.207 0 O-C-N 124.47 1.774 . . . . 0.0 111.035 179.834 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 1.1 t -68.03 -35.96 73.71 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.515 1.135 . . . . 0.0 109.284 -179.514 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 69.6 m -73.79 -39.7 63.94 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.484 1.115 . . . . 0.0 108.313 -176.366 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 64.7 tttm -69.89 -34.06 73.04 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.548 1.155 . . . . 0.0 109.348 -178.055 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 47.2 t -73.57 -49.38 26.62 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.484 1.115 . . . . 0.0 109.979 179.88 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 1.2 tpm_? -80.84 -61.8 1.86 Allowed 'General case' 0 C--N 1.326 -0.432 0 O-C-N 124.439 1.087 . . . . 0.0 110.26 -167.547 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 79.5 m-85 -99.15 -9.18 24.1 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.471 1.107 . . . . 0.0 110.953 -167.021 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 73.67 25.68 71.53 Favored Glycine 0 CA--C 1.53 1.017 0 O-C-N 124.495 1.122 . . . . 0.0 110.979 177.635 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 24.6 mmtt -81.15 162.63 23.57 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.509 0.77 . . . . 0.0 109.314 -178.458 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 6.1 p -74.99 -36.02 62.02 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.474 1.109 . . . . 0.0 110.409 -172.467 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 10.4 t-20 -162.14 164.16 28.08 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.541 1.151 . . . . 0.0 109.268 -177.923 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -150.01 160.1 28.38 Favored Glycine 0 CA--C 1.531 1.036 0 O-C-N 124.429 1.081 . . . . 0.0 111.015 177.287 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 16.7 ptp180 -153.37 160.36 42.63 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.455 0.738 . . . . 0.0 110.345 -179.539 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 5.9 t -92.26 109.67 21.05 Favored 'General case' 0 C--N 1.324 -0.534 0 O-C-N 124.563 1.165 . . . . 0.0 108.258 -169.674 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 95.8 t -104.63 111.35 33.81 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.454 1.096 . . . . 0.0 109.326 178.414 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 36.9 m-20 58.13 36.32 25.78 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.482 1.114 . . . . 0.0 109.257 171.746 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . 91.32 0.13 74.0 Favored Glycine 0 CA--C 1.53 0.991 0 O-C-N 124.462 1.101 . . . . 0.0 111.001 168.572 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 32' ' ' PHE . . . . . . . . . . . . . 52.9 m-85 -133.05 143.63 49.5 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.48 0.753 . . . . 0.0 111.01 179.904 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 33' ' ' CYS . . . . . 0.426 ' SG ' ' SG ' ' A' ' 7' ' ' CYS . 87.4 m -71.68 144.02 49.5 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.447 1.092 . . . . 0.0 108.29 -168.884 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 13.2 t70 -131.51 120.17 22.57 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.491 1.12 . . . . 0.0 109.333 173.405 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 35' ' ' CYS . . . . . . . . . . . . . 40.0 m -105.24 141.79 36.16 Favored 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.504 1.128 . . . . 0.0 108.343 -170.425 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 36' ' ' PHE . . . . . . . . . . . . . 45.3 p90 . . . . . 0 C--N 1.323 -0.553 0 O-C-N 124.469 1.105 . . . . 0.0 111.017 178.437 . . . . . . . . 0 0 . 1 . 020 nuclear build core ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo . . . . . 0 N--CA 1.453 -0.897 0 N-CA-C 111.005 -0.421 . . . . 0.0 111.005 . . . . . . . . . 0 0 . 1 . 020 nuclear build core ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 10.7 p -129.39 -159.61 0.97 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.471 1.107 . . . . 0.0 110.432 172.862 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 7.1 p-10 -127.37 20.06 6.8 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.486 1.116 . . . . 0.0 109.312 175.608 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 5' ' ' ILE . . . . . . . . . . . . . 76.5 mt -80.87 113.32 20.12 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.471 1.107 . . . . 0.0 109.257 176.661 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 63.4 tttm -72.38 144.22 48.3 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.481 1.113 . . . . 0.0 109.321 -172.956 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 7' ' ' CYS . . . . . 0.53 ' SG ' ' SG ' ' A' ' 13' ' ' CYS . 6.3 p -155.79 154.95 32.17 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.489 1.118 . . . . 0.0 108.296 -178.519 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 63.8 p -96.14 -29.02 14.3 Favored 'General case' 0 C--N 1.324 -0.531 0 O-C-N 124.586 1.179 . . . . 0.0 110.018 170.654 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 48.3 mm-40 -149.4 162.56 39.85 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.466 1.104 . . . . 0.0 110.324 -165.133 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 42.4 m -80.14 -33.27 38.66 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.499 1.124 . . . . 0.0 109.984 -163.711 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 17.7 p90 -70.34 -11.75 61.12 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.435 1.085 . . . . 0.0 111.01 -177.073 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 85.8 mt-30 -76.41 -31.87 58.19 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.53 1.144 . . . . 0.0 110.3 173.827 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 13' ' ' CYS . . . . . 0.53 ' SG ' ' SG ' ' A' ' 7' ' ' CYS . 73.1 m -85.38 -40.07 16.89 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.536 1.147 . . . . 0.0 108.279 -170.296 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 14' ' ' PHE . . . . . 0.588 ' N ' ' CD ' ' A' ' 15' ' ' PRO . 0.1 OUTLIER -58.27 -44.91 99.66 Favored Pre-proline 0 C--N 1.326 -0.441 0 O-C-N 124.485 1.115 . . . . 0.0 111.026 -160.71 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 15' ' ' PRO . . . . . 0.588 ' CD ' ' N ' ' A' ' 14' ' ' PHE . 18.5 Cg_endo -74.93 -29.94 7.82 Favored 'Trans proline' 0 C--N 1.36 1.156 0 O-C-N 124.439 1.758 . . . . 0.0 111.019 -179.56 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 1.0 OUTLIER -68.41 -36.36 74.54 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.432 1.082 . . . . 0.0 109.335 179.718 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 93.6 m -75.16 -39.82 60.05 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.449 1.093 . . . . 0.0 108.331 -177.539 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 28.2 ttpp -67.05 -34.24 77.26 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.542 1.151 . . . . 0.0 109.233 -179.089 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 47.1 t -74.14 -50.15 20.68 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.551 1.157 . . . . 0.0 109.994 179.826 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 26.6 tpt180 -79.67 -60.36 2.38 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.51 1.131 . . . . 0.0 110.308 -168.35 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 45.7 m-85 -96.79 -21.2 17.68 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.482 1.114 . . . . 0.0 111.027 -168.109 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 79.19 29.16 51.52 Favored Glycine 0 CA--C 1.529 0.939 0 O-C-N 124.579 1.175 . . . . 0.0 111.012 -178.635 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 8.7 mmtp -80.14 164.2 23.51 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.511 0.771 . . . . 0.0 109.324 179.994 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 6.6 p -75.73 -38.55 58.42 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.493 1.12 . . . . 0.0 110.399 -175.247 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 60.4 t30 -157.57 159.57 37.25 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.483 1.115 . . . . 0.0 109.247 -178.224 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -148.11 146.67 16.55 Favored Glycine 0 CA--C 1.531 1.045 0 O-C-N 124.497 1.123 . . . . 0.0 110.995 174.461 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 94.3 mtt-85 -139.67 156.03 47.06 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.578 0.811 . . . . 0.0 110.224 -175.439 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 8.4 t -89.67 102.95 15.64 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.536 1.147 . . . . 0.0 108.286 -169.674 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 98.2 t -97.64 109.97 24.5 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.485 1.116 . . . . 0.0 109.315 179.313 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 34.4 m-20 58.47 36.61 25.42 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.484 1.115 . . . . 0.0 109.287 172.094 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . 88.39 5.95 74.88 Favored Glycine 0 CA--C 1.53 1.018 0 O-C-N 124.597 1.186 . . . . 0.0 110.997 169.557 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 32' ' ' PHE . . . . . . . . . . . . . 79.8 m-85 -138.33 143.64 40.0 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.5 0.765 . . . . 0.0 110.984 178.312 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 33' ' ' CYS . . . . . . . . . . . . . 74.3 m -70.45 144.98 51.29 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.572 1.17 . . . . 0.0 108.273 -168.38 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 10.8 t0 -129.02 121.72 28.51 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.455 1.097 . . . . 0.0 109.338 167.924 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 35' ' ' CYS . . . . . . . . . . . . . 61.7 m -111.55 126.04 54.56 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.452 1.095 . . . . 0.0 108.307 -167.713 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 36' ' ' PHE . . . . . . . . . . . . . 45.8 p90 . . . . . 0 C--N 1.324 -0.507 0 O-C-N 124.53 1.144 . . . . 0.0 110.987 -172.783 . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 1' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.452 -0.339 0 N-CA-C 110.345 -0.243 . . . . 0.0 110.345 . . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.04 152.52 40.66 Favored 'Trans proline' 0 C--N 1.359 1.08 0 O-C-N 124.545 1.813 . . . . 0.0 110.926 170.621 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 46.0 p -127.12 -161.28 1.06 Allowed 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.57 1.169 . . . . 0.0 110.393 -179.772 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 41.9 p-10 -118.41 11.23 12.95 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.511 1.132 . . . . 0.0 109.307 173.808 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 5' ' ' ILE . . . . . . . . . . . . . 50.8 mt -74.71 112.47 12.03 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.443 0 O-C-N 124.519 1.137 . . . . 0.0 109.284 178.809 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 38.3 ttpt -73.22 145.41 46.24 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.422 1.076 . . . . 0.0 109.28 -172.556 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 7' ' ' CYS . . . . . 0.551 ' SG ' ' SG ' ' A' ' 13' ' ' CYS . 11.2 p -153.13 154.22 34.35 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.499 1.124 . . . . 0.0 108.255 179.328 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 7.9 p -100.48 -23.7 14.66 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.581 1.175 . . . . 0.0 110.038 173.252 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 4.3 mp0 -149.55 163.7 37.12 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.561 1.163 . . . . 0.0 110.282 -173.005 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 19.8 m -80.06 -33.12 39.25 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.502 1.126 . . . . 0.0 110.013 -165.502 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 16.5 p90 -72.1 -9.72 58.8 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.443 1.089 . . . . 0.0 111.013 -177.174 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 70.5 mt-30 -78.04 -28.83 49.06 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.532 1.145 . . . . 0.0 110.291 173.189 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 13' ' ' CYS . . . . . 0.551 ' SG ' ' SG ' ' A' ' 7' ' ' CYS . 74.6 m -85.48 -38.97 18.0 Favored 'General case' 0 C--N 1.326 -0.432 0 O-C-N 124.469 1.105 . . . . 0.0 108.292 -172.494 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 14' ' ' PHE . . . . . 0.591 ' N ' ' CD ' ' A' ' 15' ' ' PRO . 0.1 OUTLIER -55.99 -46.19 99.8 Favored Pre-proline 0 C--N 1.325 -0.495 0 O-C-N 124.454 1.097 . . . . 0.0 110.929 -162.103 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 15' ' ' PRO . . . . . 0.591 ' CD ' ' N ' ' A' ' 14' ' ' PHE . 18.5 Cg_endo -74.97 -29.69 8.01 Favored 'Trans proline' 0 C--N 1.359 1.119 0 O-C-N 124.561 1.822 . . . . 0.0 111.109 -177.543 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 1.1 t -68.66 -36.58 75.1 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 O-C-N 124.485 1.115 . . . . 0.0 109.3 178.72 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 93.1 m -75.0 -41.15 60.03 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.452 1.095 . . . . 0.0 108.299 -177.467 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 14.8 tmtt? -65.55 -36.3 83.38 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.484 1.115 . . . . 0.0 109.302 -179.35 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 42.6 t -72.06 -51.5 21.33 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.499 1.124 . . . . 0.0 110.008 -179.447 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 9.2 tpm_? -79.89 -57.9 3.43 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.541 1.15 . . . . 0.0 110.243 -166.924 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 40.3 m-85 -97.91 -20.88 17.19 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.386 1.054 . . . . 0.0 111.017 -167.838 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 80.62 27.27 51.75 Favored Glycine 0 CA--C 1.529 0.932 0 O-C-N 124.458 1.099 . . . . 0.0 111.027 -178.45 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 25.2 mmtt -80.41 172.49 13.69 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.474 0.749 . . . . 0.0 109.341 179.669 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 7.4 p -89.72 -31.95 17.22 Favored 'General case' 0 C--N 1.324 -0.536 0 O-C-N 124.545 1.153 . . . . 0.0 110.326 -170.447 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 38.4 t-20 -163.51 160.41 23.17 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.477 1.11 . . . . 0.0 109.296 -176.32 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -139.28 158.15 25.26 Favored Glycine 0 CA--C 1.529 0.96 0 O-C-N 124.474 1.109 . . . . 0.0 111.062 178.049 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 19.1 ptt180 -151.79 142.71 23.02 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.518 0.775 . . . . 0.0 110.282 -175.644 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 3.9 t -88.04 104.37 16.59 Favored 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.485 1.116 . . . . 0.0 108.324 -168.935 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 91.7 t -99.73 112.57 32.49 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.503 1.127 . . . . 0.0 109.33 177.527 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 34.7 m-20 58.1 35.11 24.87 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.576 1.173 . . . . 0.0 109.273 173.21 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . 83.77 12.13 78.1 Favored Glycine 0 CA--C 1.531 1.043 0 O-C-N 124.446 1.091 . . . . 0.0 110.942 171.012 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 32' ' ' PHE . . . . . . . . . . . . . 73.2 m-85 -137.35 145.57 43.5 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.531 0.783 . . . . 0.0 111.009 177.525 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 33' ' ' CYS . . . . . . . . . . . . . 84.0 m -71.33 139.39 49.87 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.478 1.111 . . . . 0.0 108.255 -167.472 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 27.1 t70 -124.95 119.28 28.29 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.497 1.123 . . . . 0.0 109.345 167.981 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 35' ' ' CYS . . . . . . . . . . . . . 56.6 m -105.04 140.69 37.85 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.527 1.142 . . . . 0.0 108.313 -171.085 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 36' ' ' PHE . . . . . . . . . . . . . 32.5 p90 . . . . . 0 C--N 1.325 -0.475 0 O-C-N 124.547 1.154 . . . . 0.0 111.033 -178.75 . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 1' ' ' ARG . . . . . . . . . . . . . 1.4 mpt_? . . . . . 0 N--CA 1.453 -0.319 0 N-CA-C 110.363 -0.236 . . . . 0.0 110.363 . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.93 150.26 38.23 Favored 'Trans proline' 0 C--N 1.36 1.16 0 O-C-N 124.469 1.773 . . . . 0.0 111.037 -174.185 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 32.0 p -126.95 -164.54 1.36 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.523 1.14 . . . . 0.0 110.413 174.803 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 38.1 p-10 -110.44 6.19 21.97 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.381 1.051 . . . . 0.0 109.28 -174.725 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 5' ' ' ILE . . . . . . . . . . . . . 80.1 mt -81.03 110.98 17.1 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.524 1.14 . . . . 0.0 109.306 -178.284 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 58.1 pttt -69.79 153.75 42.91 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.449 1.093 . . . . 0.0 109.279 -179.022 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 7.6 p -161.99 156.06 21.77 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.517 1.136 . . . . 0.0 108.295 -178.317 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 93.3 p -96.35 -29.28 14.06 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.507 1.13 . . . . 0.0 109.969 169.671 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 38.6 mm-40 -149.57 162.11 40.83 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.531 1.145 . . . . 0.0 110.285 -165.134 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 51.8 m -80.2 -32.62 38.58 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.491 1.119 . . . . 0.0 110.011 -163.838 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 16.0 p90 -71.08 -11.54 61.01 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.508 1.13 . . . . 0.0 110.993 -177.004 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 78.0 mt-30 -75.74 -30.37 59.18 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.519 1.137 . . . . 0.0 110.292 173.062 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 81.0 m -85.4 -40.07 16.88 Favored 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.507 1.129 . . . . 0.0 108.261 -170.182 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 14' ' ' PHE . . . . . 0.591 ' N ' ' CD ' ' A' ' 15' ' ' PRO . 0.1 OUTLIER -56.71 -45.64 99.92 Favored Pre-proline 0 C--N 1.325 -0.496 0 O-C-N 124.554 1.159 . . . . 0.0 110.994 -161.809 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 15' ' ' PRO . . . . . 0.591 ' CD ' ' N ' ' A' ' 14' ' ' PHE . 18.1 Cg_endo -75.0 -29.79 7.85 Favored 'Trans proline' 0 C--N 1.36 1.171 0 O-C-N 124.529 1.805 . . . . 0.0 110.962 -178.678 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 1.1 t -68.66 -36.03 72.66 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.515 0 O-C-N 124.531 1.144 . . . . 0.0 109.271 179.647 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 73.7 m -75.0 -38.14 61.68 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.531 1.144 . . . . 0.0 108.265 -176.502 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 14.8 tmtt? -67.75 -37.75 82.56 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.452 1.095 . . . . 0.0 109.28 179.34 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 44.1 t -71.61 -48.48 47.77 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.537 1.148 . . . . 0.0 109.994 -178.533 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 25.9 tpt180 -82.5 -59.78 2.41 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.529 1.143 . . . . 0.0 110.298 -167.743 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 35.0 m-85 -96.96 -20.49 18.06 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.524 1.14 . . . . 0.0 111.047 -168.015 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 80.61 23.97 59.34 Favored Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.499 1.124 . . . . 0.0 111.037 -176.488 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 94.6 mttt -87.99 157.51 18.9 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.492 0.76 . . . . 0.0 109.347 -178.679 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 8.1 p -74.84 -38.56 61.96 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.532 1.145 . . . . 0.0 110.436 -164.877 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 7.3 t-20 -160.44 164.09 32.54 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.446 1.091 . . . . 0.0 109.255 -178.98 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -151.55 150.9 22.89 Favored Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.471 1.107 . . . . 0.0 110.944 175.547 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 87.1 mtm180 -130.35 151.65 50.62 Favored 'General case' 0 C--N 1.326 -0.429 0 O-C-N 124.47 0.747 . . . . 0.0 110.317 -176.742 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 8.2 t -86.98 97.61 10.81 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.507 1.129 . . . . 0.0 108.316 -171.217 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 92.4 t -95.06 112.43 27.49 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.527 0 O-C-N 124.547 1.154 . . . . 0.0 109.274 -179.998 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 35.7 m-20 57.97 36.85 26.52 Favored 'General case' 0 C--N 1.323 -0.545 0 O-C-N 124.503 1.127 . . . . 0.0 109.23 172.966 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . 84.11 11.65 78.2 Favored Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.447 1.092 . . . . 0.0 110.998 170.221 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 32' ' ' PHE . . . . . . . . . . . . . 47.8 m-85 -140.09 144.78 36.97 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.535 0.786 . . . . 0.0 110.975 177.026 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 33' ' ' CYS . . . . . . . . . . . . . 84.3 m -70.96 143.52 50.83 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.45 1.093 . . . . 0.0 108.332 -169.323 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 10.0 t0 -129.11 111.14 12.63 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.5 1.125 . . . . 0.0 109.291 171.144 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 35' ' ' CYS . . . . . . . . . . . . . 74.5 m -105.39 141.86 36.16 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.53 1.144 . . . . 0.0 108.335 -165.16 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 36' ' ' PHE . . . . . . . . . . . . . 29.5 p90 . . . . . 0 C--N 1.324 -0.502 0 O-C-N 124.476 1.11 . . . . 0.0 111.005 -178.914 . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 1' ' ' ARG . . . . . . . . . . . . . 71.1 mtp180 . . . . . 0 N--CA 1.452 -0.337 0 N-CA-C 110.274 -0.269 . . . . 0.0 110.274 . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.03 153.47 41.67 Favored 'Trans proline' 0 C--N 1.36 1.177 0 O-C-N 124.476 1.777 . . . . 0.0 111.001 178.672 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 30.5 p -125.6 -164.29 1.29 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.457 1.098 . . . . 0.0 110.357 175.801 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 5.7 p-10 -101.53 -8.54 21.82 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.486 1.116 . . . . 0.0 109.311 -174.348 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 5' ' ' ILE . . . . . . . . . . . . . 77.6 mt -77.85 113.72 17.43 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.442 0 O-C-N 124.417 1.073 . . . . 0.0 109.312 -171.503 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -72.17 157.0 38.56 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.498 1.124 . . . . 0.0 109.316 179.059 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 7' ' ' CYS . . . . . 0.565 ' SG ' ' SG ' ' A' ' 13' ' ' CYS . 3.8 p -161.44 154.87 21.45 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.415 1.072 . . . . 0.0 108.346 -177.649 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 97.0 p -102.92 -20.69 14.15 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.498 1.124 . . . . 0.0 110.012 175.076 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 1.4 mp0 -149.51 159.72 44.07 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.456 1.097 . . . . 0.0 110.363 -169.607 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 58.0 m -79.2 -35.93 40.96 Favored 'General case' 0 C--N 1.324 -0.532 0 O-C-N 124.437 1.086 . . . . 0.0 109.959 -165.054 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 14.9 p90 -75.47 -2.18 27.6 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.498 1.124 . . . . 0.0 111.06 -175.867 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 79.3 mt-30 -76.12 -35.94 59.06 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.546 1.154 . . . . 0.0 110.296 168.099 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 13' ' ' CYS . . . . . 0.565 ' SG ' ' SG ' ' A' ' 7' ' ' CYS . 63.9 m -85.9 -35.14 20.72 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.553 1.158 . . . . 0.0 108.251 -169.441 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 14' ' ' PHE . . . . . 0.594 ' N ' ' CD ' ' A' ' 15' ' ' PRO . 0.1 OUTLIER -59.29 -43.84 97.3 Favored Pre-proline 0 C--N 1.325 -0.483 0 O-C-N 124.445 1.09 . . . . 0.0 111.024 -162.379 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 15' ' ' PRO . . . . . 0.594 ' CD ' ' N ' ' A' ' 14' ' ' PHE . 18.1 Cg_endo -75.12 -35.65 2.94 Favored 'Trans proline' 0 C--N 1.36 1.169 0 O-C-N 124.451 1.764 . . . . 0.0 110.914 178.331 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 0.9 OUTLIER -56.63 -41.07 72.96 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.465 1.103 . . . . 0.0 109.359 176.729 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 98.8 m -75.2 -46.46 33.9 Favored 'General case' 0 C--N 1.326 -0.426 0 O-C-N 124.487 1.117 . . . . 0.0 108.235 -174.543 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 66.4 tttm -63.56 -36.21 83.02 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.481 1.113 . . . . 0.0 109.288 -174.271 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 67.3 m -81.1 -62.08 1.77 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.602 1.189 . . . . 0.0 109.973 -176.647 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 41.1 ttp85 -85.12 -40.03 17.23 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.499 1.124 . . . . 0.0 110.257 -159.073 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 62.2 m-85 -91.6 -26.27 18.79 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.41 1.069 . . . . 0.0 110.962 -178.773 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 82.78 34.34 22.17 Favored Glycine 0 CA--C 1.531 1.043 0 O-C-N 124.515 1.135 . . . . 0.0 110.973 177.957 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 4.7 tptp -95.11 -174.05 3.12 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.523 0.778 . . . . 0.0 109.33 -177.011 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 5.7 p -98.62 -32.94 11.17 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.524 1.14 . . . . 0.0 110.39 -175.37 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 55.6 t30 -163.57 157.94 20.11 Favored 'General case' 0 C--N 1.324 -0.535 0 O-C-N 124.558 1.161 . . . . 0.0 109.344 -177.656 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -147.23 147.75 18.79 Favored Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.517 1.136 . . . . 0.0 111.037 178.99 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 67.2 mtp85 -143.06 159.91 41.37 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.494 0.761 . . . . 0.0 110.182 -179.592 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 8.2 t -92.19 101.42 13.93 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.453 1.096 . . . . 0.0 108.229 -172.252 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 96.7 t -96.01 111.58 26.57 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.436 1.085 . . . . 0.0 109.348 179.451 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 35.0 m-20 58.13 37.04 26.34 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.515 1.135 . . . . 0.0 109.307 172.772 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . 85.17 10.31 78.32 Favored Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.414 1.071 . . . . 0.0 111.004 169.873 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 32' ' ' PHE . . . . . . . . . . . . . 51.3 m-85 -140.05 145.49 37.78 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.457 0.739 . . . . 0.0 111.022 177.496 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 33' ' ' CYS . . . . . . . . . . . . . 85.0 m -71.97 145.29 48.49 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.462 1.101 . . . . 0.0 108.236 -168.388 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 11.2 t0 -134.0 123.17 24.12 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.482 1.113 . . . . 0.0 109.284 172.875 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 35' ' ' CYS . . . . . . . . . . . . . 63.7 m -105.34 134.82 47.81 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.507 1.129 . . . . 0.0 108.272 -172.476 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 36' ' ' PHE . . . . . . . . . . . . . 45.6 p90 . . . . . 0 C--N 1.325 -0.47 0 O-C-N 124.483 1.114 . . . . 0.0 110.998 179.748 . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 1' ' ' ARG . . . . . . . . . . . . . 91.4 mtt180 . . . . . 0 N--CA 1.454 -0.24 0 N-CA-C 110.294 -0.261 . . . . 0.0 110.294 . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.0 158.12 42.38 Favored 'Trans proline' 0 C--N 1.36 1.16 0 O-C-N 124.432 1.754 . . . . 0.0 111.004 -177.024 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 23.8 p -132.87 -164.19 1.44 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.527 1.142 . . . . 0.0 110.435 177.588 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 5.8 p-10 -107.27 -0.1 22.8 Favored 'General case' 0 C--N 1.324 -0.54 0 O-C-N 124.516 1.135 . . . . 0.0 109.299 -176.097 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 5' ' ' ILE . . . . . . . . . . . . . 77.0 mt -80.86 117.99 27.84 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.524 1.14 . . . . 0.0 109.247 -173.615 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 98.9 mttt -75.59 149.81 38.19 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.422 1.076 . . . . 0.0 109.273 -178.832 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 7' ' ' CYS . . . . . 0.491 ' SG ' ' SG ' ' A' ' 13' ' ' CYS . 6.7 p -158.75 157.23 31.29 Favored 'General case' 0 C--N 1.326 -0.43 0 O-C-N 124.524 1.14 . . . . 0.0 108.285 179.773 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 93.8 p -98.45 -27.89 13.86 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.512 1.133 . . . . 0.0 109.977 169.403 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 61.5 mm-40 -149.21 161.16 42.56 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.508 1.13 . . . . 0.0 110.269 -164.223 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 37.5 m -80.06 -32.4 39.35 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.525 1.14 . . . . 0.0 110.03 -162.94 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 17.3 p90 -70.6 -12.11 61.36 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.466 1.104 . . . . 0.0 111.031 -176.673 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 72.9 mt-30 -74.61 -32.81 62.45 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.493 1.121 . . . . 0.0 110.34 173.159 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 13' ' ' CYS . . . . . 0.491 ' SG ' ' SG ' ' A' ' 7' ' ' CYS . 84.1 m -85.57 -39.16 17.67 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.558 1.162 . . . . 0.0 108.318 -168.588 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 14' ' ' PHE . . . . . 0.596 ' N ' ' CD ' ' A' ' 15' ' ' PRO . 0.1 OUTLIER -57.68 -45.22 99.85 Favored Pre-proline 0 C--N 1.325 -0.5 0 O-C-N 124.509 1.13 . . . . 0.0 111.007 -162.01 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 15' ' ' PRO . . . . . 0.596 ' CD ' ' N ' ' A' ' 14' ' ' PHE . 18.3 Cg_endo -75.0 -29.91 7.72 Favored 'Trans proline' 0 C--N 1.359 1.127 0 O-C-N 124.449 1.762 . . . . 0.0 111.003 -179.158 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 1.1 t -69.01 -36.35 73.45 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.569 1.168 . . . . 0.0 109.288 -179.205 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 91.6 m -74.94 -37.81 61.9 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.502 1.126 . . . . 0.0 108.245 -177.484 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 28.4 ttpp -70.05 -34.43 73.21 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.449 1.093 . . . . 0.0 109.282 -178.834 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 43.6 t -74.79 -52.6 11.04 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.507 1.13 . . . . 0.0 110.026 -178.633 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 40.2 ttm180 -82.78 -57.6 3.24 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.556 1.16 . . . . 0.0 110.333 -164.901 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 34.8 m-85 -95.69 -21.0 18.47 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.456 1.098 . . . . 0.0 110.971 -170.707 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 78.96 35.98 29.5 Favored Glycine 0 CA--C 1.531 1.041 0 O-C-N 124.486 1.116 . . . . 0.0 110.962 -177.951 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 9.8 mptt -91.65 158.25 16.51 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.506 0.768 . . . . 0.0 109.322 178.893 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 6.9 p -75.02 -35.52 61.96 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.532 1.145 . . . . 0.0 110.371 -169.301 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 7.4 t-20 -159.62 164.65 33.95 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.578 1.174 . . . . 0.0 109.296 179.307 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -152.23 147.28 16.83 Favored Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.479 1.112 . . . . 0.0 110.985 176.683 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 72.5 mtp85 -138.5 153.06 48.77 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.507 0.769 . . . . 0.0 110.323 -175.826 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 7.9 t -88.66 103.12 15.64 Favored 'General case' 0 C--N 1.324 -0.53 0 O-C-N 124.531 1.145 . . . . 0.0 108.34 -169.148 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 98.0 t -98.98 110.37 26.14 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.506 1.129 . . . . 0.0 109.295 178.669 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 36.2 m-20 58.47 37.45 25.63 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.546 1.154 . . . . 0.0 109.343 170.997 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . 86.84 8.35 76.42 Favored Glycine 0 CA--C 1.53 1.031 0 O-C-N 124.435 1.085 . . . . 0.0 110.962 169.275 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 32' ' ' PHE . . . . . . . . . . . . . 46.8 m-85 -136.28 144.95 45.04 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.533 0.784 . . . . 0.0 110.969 176.698 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 33' ' ' CYS . . . . . . . . . . . . . 87.9 m -71.88 140.26 49.2 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.47 1.106 . . . . 0.0 108.29 -172.318 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 10.4 t70 -124.79 116.05 21.67 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.5 1.125 . . . . 0.0 109.304 171.488 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 35' ' ' CYS . . . . . . . . . . . . . 86.2 m -103.95 137.26 42.19 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.529 1.143 . . . . 0.0 108.376 -169.521 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 36' ' ' PHE . . . . . . . . . . . . . 44.4 p90 . . . . . 0 C--N 1.324 -0.503 0 O-C-N 124.447 1.092 . . . . 0.0 111.025 -179.562 . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 1' ' ' ARG . . . . . . . . . . . . . 9.8 ptp85 . . . . . 0 N--CA 1.454 -0.248 0 N-CA-C 110.298 -0.26 . . . . 0.0 110.298 . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.9 146.41 33.05 Favored 'Trans proline' 0 C--N 1.36 1.169 0 O-C-N 124.431 1.753 . . . . 0.0 111.011 164.132 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 15.0 p -132.52 -160.02 1.01 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.412 1.07 . . . . 0.0 110.439 -179.567 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 19.5 p-10 -125.92 20.01 7.72 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.551 1.157 . . . . 0.0 109.252 173.29 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 5' ' ' ILE . . . . . . . . . . . . . 49.9 mt -75.15 108.78 7.28 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.517 1.136 . . . . 0.0 109.297 178.488 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 58.0 pttt -66.6 148.11 52.34 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.505 1.128 . . . . 0.0 109.308 -170.656 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 7' ' ' CYS . . . . . 0.401 ' SG ' ' SG ' ' A' ' 13' ' ' CYS . 11.3 p -159.14 156.12 28.46 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.536 1.147 . . . . 0.0 108.275 178.41 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 90.9 p -97.52 -27.82 14.25 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.576 1.173 . . . . 0.0 110.01 170.142 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 4.5 mm-40 -149.9 163.51 37.86 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.503 1.127 . . . . 0.0 110.349 -166.945 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 58.1 m -80.05 -33.61 38.89 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.485 1.115 . . . . 0.0 110.027 -164.285 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 16.3 p90 -71.2 -10.02 59.07 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.586 1.178 . . . . 0.0 110.986 -176.584 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 79.2 mt-30 -77.31 -30.03 53.92 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.485 1.116 . . . . 0.0 110.272 173.199 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 13' ' ' CYS . . . . . 0.401 ' SG ' ' SG ' ' A' ' 7' ' ' CYS . 68.3 m -85.53 -35.77 20.91 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.512 1.133 . . . . 0.0 108.353 -172.334 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 14' ' ' PHE . . . . . 0.584 ' N ' ' CD ' ' A' ' 15' ' ' PRO . 0.1 OUTLIER -56.29 -45.5 99.91 Favored Pre-proline 0 C--N 1.326 -0.454 0 O-C-N 124.389 1.056 . . . . 0.0 111.034 -163.321 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 15' ' ' PRO . . . . . 0.584 ' CD ' ' N ' ' A' ' 14' ' ' PHE . 18.0 Cg_endo -75.06 -32.87 4.95 Favored 'Trans proline' 0 C--N 1.36 1.135 0 O-C-N 124.514 1.797 . . . . 0.0 111.023 -179.871 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 0.9 OUTLIER -61.26 -39.15 81.62 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.55 1.157 . . . . 0.0 109.25 177.27 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 83.5 m -75.16 -39.85 60.01 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.534 1.146 . . . . 0.0 108.3 -174.009 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 28.4 ttpp -69.08 -32.4 71.81 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.463 1.102 . . . . 0.0 109.288 -178.261 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 45.6 t -74.51 -50.85 16.56 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.512 1.133 . . . . 0.0 110.054 179.903 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 73.0 ttt180 -82.24 -59.99 2.36 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.487 1.117 . . . . 0.0 110.287 -166.66 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 62.2 m-85 -95.52 -18.96 20.21 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.512 1.133 . . . . 0.0 110.928 -169.598 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 78.79 25.47 60.31 Favored Glycine 0 CA--C 1.531 1.068 0 O-C-N 124.473 1.108 . . . . 0.0 110.955 -178.545 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 55.4 mttp -88.47 164.01 15.67 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.58 0.812 . . . . 0.0 109.322 -178.926 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 1.3 p -74.63 -37.81 62.68 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.533 1.145 . . . . 0.0 110.425 -167.003 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 6.1 t-20 -164.52 165.97 20.8 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.495 1.122 . . . . 0.0 109.328 -173.205 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -144.61 161.17 28.01 Favored Glycine 0 CA--C 1.53 1.016 0 O-C-N 124.425 1.078 . . . . 0.0 110.998 176.81 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 16.7 ptm180 -141.91 147.72 37.53 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.51 0.77 . . . . 0.0 110.324 -178.183 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 5.7 t -89.88 99.59 12.57 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.508 1.13 . . . . 0.0 108.319 -168.881 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 83.3 t -94.88 110.01 23.2 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.511 1.132 . . . . 0.0 109.294 -179.239 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 32.1 m120 53.48 40.13 30.95 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.427 1.08 . . . . 0.0 109.303 176.049 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . 83.6 13.77 74.98 Favored Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.49 1.119 . . . . 0.0 111.026 168.606 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 32' ' ' PHE . . . . . . . . . . . . . 72.1 m-85 -139.79 142.54 36.7 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.532 0.784 . . . . 0.0 110.978 177.441 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 33' ' ' CYS . . . . . . . . . . . . . 84.0 m -71.69 137.44 47.81 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.552 1.157 . . . . 0.0 108.307 -168.905 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 12.5 t70 -124.93 115.34 20.44 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.474 1.109 . . . . 0.0 109.271 166.358 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 35' ' ' CYS . . . . . . . . . . . . . 66.8 m -94.92 151.59 19.07 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.511 1.132 . . . . 0.0 108.328 -171.659 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 36' ' ' PHE . . . . . . . . . . . . . 52.9 p90 . . . . . 0 C--N 1.323 -0.551 0 O-C-N 124.532 1.145 . . . . 0.0 111.04 177.375 . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 1' ' ' ARG . . . . . . . . . . . . . 69.5 mtt85 . . . . . 0 N--CA 1.453 -0.283 0 N-CA-C 110.322 -0.251 . . . . 0.0 110.322 . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.02 148.62 35.44 Favored 'Trans proline' 0 C--N 1.36 1.15 0 O-C-N 124.534 1.808 . . . . 0.0 110.965 -179.864 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 31.9 p -126.54 -165.06 1.4 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.452 1.095 . . . . 0.0 110.38 177.994 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 12.4 p-10 -102.06 -6.1 23.75 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.414 1.071 . . . . 0.0 109.354 -173.974 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 5' ' ' ILE . . . . . . . . . . . . . 78.1 mt -76.73 120.89 27.84 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.515 0 O-C-N 124.556 1.16 . . . . 0.0 109.278 -172.032 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 98.8 mttt -78.37 152.16 32.44 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.494 1.122 . . . . 0.0 109.317 -177.484 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 7' ' ' CYS . . . . . 0.576 ' SG ' ' SG ' ' A' ' 13' ' ' CYS . 7.5 p -158.83 158.21 33.05 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.479 1.112 . . . . 0.0 108.307 179.027 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 89.5 p -99.59 -25.74 14.32 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.489 1.118 . . . . 0.0 110.061 169.894 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 1.2 mp0 -149.07 161.35 42.13 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.426 1.079 . . . . 0.0 110.284 -165.495 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 66.1 m -80.0 -34.48 38.46 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.517 1.135 . . . . 0.0 109.981 -165.008 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 21.4 p90 -72.4 -8.75 56.62 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.444 1.09 . . . . 0.0 111.04 -177.246 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 90.9 mt-30 -78.2 -29.76 48.61 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.497 1.123 . . . . 0.0 110.314 172.458 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 13' ' ' CYS . . . . . 0.576 ' SG ' ' SG ' ' A' ' 7' ' ' CYS . 72.7 m -85.36 -39.98 17.02 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.628 1.205 . . . . 0.0 108.39 -171.19 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 14' ' ' PHE . . . . . 0.59 ' N ' ' CD ' ' A' ' 15' ' ' PRO . 0.1 OUTLIER -56.8 -45.59 99.93 Favored Pre-proline 0 C--N 1.325 -0.48 0 O-C-N 124.441 1.088 . . . . 0.0 110.995 -162.351 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 15' ' ' PRO . . . . . 0.59 ' CD ' ' N ' ' A' ' 14' ' ' PHE . 18.6 Cg_endo -75.0 -29.81 7.83 Favored 'Trans proline' 0 C--N 1.36 1.158 0 O-C-N 124.502 1.791 . . . . 0.0 111.035 -179.147 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 1.2 t -68.02 -35.7 72.76 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.492 1.12 . . . . 0.0 109.294 179.089 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 79.9 m -74.86 -38.55 61.91 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.56 1.162 . . . . 0.0 108.324 -176.295 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 2.8 tmtm? -68.38 -35.71 78.09 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.494 1.121 . . . . 0.0 109.286 179.649 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 46.5 t -72.08 -49.6 35.09 Favored 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.53 1.144 . . . . 0.0 110.016 -179.142 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 51.2 tpt85 -82.32 -57.88 3.18 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.542 1.151 . . . . 0.0 110.251 -166.92 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 52.2 m-85 -98.85 -21.74 16.17 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.565 1.166 . . . . 0.0 111.033 -168.749 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 81.5 24.16 56.99 Favored Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.479 1.112 . . . . 0.0 110.978 -176.088 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 56.0 mttp -88.49 164.41 15.46 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.443 0.731 . . . . 0.0 109.271 -179.345 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 8.8 p -86.61 -31.46 21.14 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.493 1.121 . . . . 0.0 110.413 -159.088 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 10.9 t-20 -161.33 162.02 30.71 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.514 1.134 . . . . 0.0 109.329 -176.716 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -142.09 153.0 24.05 Favored Glycine 0 CA--C 1.531 1.061 0 O-C-N 124.484 1.115 . . . . 0.0 110.988 -179.926 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 10.8 tpp180 -140.02 136.76 34.04 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.543 0.79 . . . . 0.0 110.332 -179.081 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 6.8 t -85.04 97.14 9.66 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.406 1.066 . . . . 0.0 108.24 -171.534 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 95.4 t -94.96 110.69 24.33 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.504 1.127 . . . . 0.0 109.318 -179.943 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 35.8 m-20 58.57 35.78 24.76 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.501 1.126 . . . . 0.0 109.285 171.825 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . 85.42 11.8 74.32 Favored Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.469 1.105 . . . . 0.0 111.0 170.421 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 32' ' ' PHE . . . . . . . . . . . . . 58.6 m-85 -134.46 144.23 47.99 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.526 0.78 . . . . 0.0 110.997 175.401 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 33' ' ' CYS . . . . . . . . . . . . . 87.6 m -71.8 139.77 49.12 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.522 1.139 . . . . 0.0 108.295 -173.375 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 11.0 t0 -124.93 115.29 20.37 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.499 1.124 . . . . 0.0 109.276 170.185 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 35' ' ' CYS . . . . . . . . . . . . . 70.8 m -107.05 141.95 37.47 Favored 'General case' 0 C--N 1.326 -0.415 0 O-C-N 124.467 1.105 . . . . 0.0 108.326 -166.218 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 36' ' ' PHE . . . . . . . . . . . . . 20.0 p90 . . . . . 0 C--N 1.324 -0.522 0 O-C-N 124.451 1.094 . . . . 0.0 110.991 -179.097 . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 1' ' ' ARG . . . . . . . . . . . . . 79.6 mtp180 . . . . . 0 N--CA 1.452 -0.348 0 N-CA-C 110.392 -0.225 . . . . 0.0 110.392 . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.01 152.56 40.88 Favored 'Trans proline' 0 C--N 1.36 1.143 0 O-C-N 124.51 1.795 . . . . 0.0 110.987 167.879 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 17.4 p -131.81 -164.24 1.43 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.521 1.138 . . . . 0.0 110.406 -179.861 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 16.6 p-10 -112.75 3.92 16.77 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.457 1.098 . . . . 0.0 109.302 -177.345 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 5' ' ' ILE . . . . . . . . . . . . . 54.7 mt -75.11 113.71 14.23 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.559 1.162 . . . . 0.0 109.306 -174.666 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 84.5 tttt -74.55 144.86 43.84 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.553 1.158 . . . . 0.0 109.333 -173.393 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 7' ' ' CYS . . . . . 0.653 ' SG ' ' SG ' ' A' ' 13' ' ' CYS . 6.0 p -156.32 154.97 31.45 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.521 1.138 . . . . 0.0 108.313 -177.744 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 93.2 p -97.89 -27.69 14.16 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.415 1.072 . . . . 0.0 109.979 171.876 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 4.0 mm-40 -149.72 161.7 41.71 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.568 1.168 . . . . 0.0 110.327 -162.028 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 29.8 m -77.03 -35.68 56.76 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.466 1.104 . . . . 0.0 109.992 -164.073 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 19.1 p90 -70.19 -10.9 60.28 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.452 1.095 . . . . 0.0 110.989 -173.965 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 62.4 mt-30 -75.7 -36.58 59.97 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.553 1.158 . . . . 0.0 110.314 172.016 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 13' ' ' CYS . . . . . 0.653 ' SG ' ' SG ' ' A' ' 7' ' ' CYS . 80.8 m -85.52 -39.9 16.93 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.533 1.146 . . . . 0.0 108.31 -169.865 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 14' ' ' PHE . . . . . 0.602 ' N ' ' CD ' ' A' ' 15' ' ' PRO . 0.1 OUTLIER -57.4 -45.28 99.9 Favored Pre-proline 0 C--N 1.324 -0.522 0 O-C-N 124.472 1.108 . . . . 0.0 111.034 -161.317 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 15' ' ' PRO . . . . . 0.602 ' CD ' ' N ' ' A' ' 14' ' ' PHE . 18.5 Cg_endo -74.98 -29.7 7.98 Favored 'Trans proline' 0 C--N 1.36 1.139 0 O-C-N 124.562 1.822 . . . . 0.0 111.013 -178.166 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 1.0 OUTLIER -67.78 -36.04 74.54 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.488 1.118 . . . . 0.0 109.255 178.311 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 63.4 m -74.51 -44.96 48.86 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.536 1.148 . . . . 0.0 108.285 -179.405 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 1.1 tmtp? -64.07 -36.06 82.78 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.483 1.114 . . . . 0.0 109.244 -176.045 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 42.2 t -78.6 -62.15 1.78 Allowed 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.531 1.144 . . . . 0.0 109.97 -177.309 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 4.3 tmt_? -83.15 -46.65 12.5 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.592 1.182 . . . . 0.0 110.28 -161.167 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 69.8 m-85 -89.8 -21.71 22.48 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.531 1.144 . . . . 0.0 110.989 -175.584 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 78.65 28.27 55.37 Favored Glycine 0 CA--C 1.53 0.989 0 O-C-N 124.5 1.125 . . . . 0.0 111.028 173.328 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 2.3 mtpp -90.01 173.98 7.91 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.453 0.737 . . . . 0.0 109.271 -178.027 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 1.4 p -74.84 -37.29 62.28 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.497 1.123 . . . . 0.0 110.409 -178.168 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 6.0 t-20 -163.36 167.66 21.45 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.478 1.111 . . . . 0.0 109.297 -174.881 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -154.13 154.56 25.59 Favored Glycine 0 CA--C 1.529 0.934 0 O-C-N 124.48 1.112 . . . . 0.0 111.057 173.318 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 52.1 mtp180 -143.17 163.7 32.19 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.497 0.763 . . . . 0.0 110.313 179.914 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 9.0 t -90.84 105.47 17.85 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.469 1.106 . . . . 0.0 108.316 -173.487 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 90.4 t -101.37 112.76 35.44 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.488 1.118 . . . . 0.0 109.291 179.872 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 35.0 m-20 58.29 35.97 25.28 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.521 1.138 . . . . 0.0 109.314 173.207 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . 85.43 8.72 80.48 Favored Glycine 0 CA--C 1.531 1.048 0 O-C-N 124.513 1.133 . . . . 0.0 111.043 170.249 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 32' ' ' PHE . . . . . . . . . . . . . 72.0 m-85 -139.39 144.5 38.18 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.562 0.801 . . . . 0.0 110.959 178.636 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 33' ' ' CYS . . . . . . . . . . . . . 96.5 m -72.42 138.28 47.03 Favored 'General case' 0 C--N 1.324 -0.535 0 O-C-N 124.535 1.147 . . . . 0.0 108.229 -168.162 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 11.0 t70 -129.56 128.49 42.86 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.424 1.078 . . . . 0.0 109.277 170.168 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 35' ' ' CYS . . . . . . . . . . . . . 32.4 m -101.58 147.02 26.9 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.466 1.104 . . . . 0.0 108.277 -176.31 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 36' ' ' PHE . . . . . . . . . . . . . 50.9 p90 . . . . . 0 C--N 1.324 -0.505 0 O-C-N 124.543 1.152 . . . . 0.0 111.041 175.779 . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 1' ' ' ARG . . . . . . . . . . . . . 68.7 mtt85 . . . . . 0 N--CA 1.453 -0.317 0 N-CA-C 110.376 -0.231 . . . . 0.0 110.376 . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.01 154.52 42.49 Favored 'Trans proline' 0 C--N 1.36 1.163 0 O-C-N 124.463 1.77 . . . . 0.0 111.033 169.528 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 31.8 p -124.99 -164.67 1.3 Allowed 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.374 1.046 . . . . 0.0 110.417 176.254 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 13.2 p-10 -102.58 -4.75 24.77 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.454 1.096 . . . . 0.0 109.336 -174.345 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 5' ' ' ILE . . . . . . . . . . . . . 78.5 mt -78.14 110.1 13.49 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.465 1.103 . . . . 0.0 109.361 -171.987 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 57.7 pttt -70.49 155.18 41.05 Favored 'General case' 0 C--N 1.324 -0.54 0 O-C-N 124.563 1.164 . . . . 0.0 109.247 178.174 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 7' ' ' CYS . . . . . 0.68 ' SG ' ' SG ' ' A' ' 13' ' ' CYS . 5.7 p -161.57 155.07 21.43 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.445 1.09 . . . . 0.0 108.32 -176.83 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 93.3 p -101.38 -21.94 14.7 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.446 1.091 . . . . 0.0 110.02 174.21 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -151.55 158.8 44.04 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.456 1.098 . . . . 0.0 110.254 -165.459 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 63.3 m -80.41 -32.89 37.35 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.529 1.143 . . . . 0.0 110.0 -164.257 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 13.1 p90 -71.33 -9.83 58.77 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.437 1.085 . . . . 0.0 111.002 -177.175 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 66.0 mt-30 -75.24 -37.15 61.16 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.522 1.139 . . . . 0.0 110.301 170.77 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 13' ' ' CYS . . . . . 0.68 ' SG ' ' SG ' ' A' ' 7' ' ' CYS . 71.4 m -85.63 -40.15 16.53 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.501 1.126 . . . . 0.0 108.324 -168.517 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 14' ' ' PHE . . . . . 0.597 ' N ' ' CD ' ' A' ' 15' ' ' PRO . 0.1 OUTLIER -58.76 -44.5 99.05 Favored Pre-proline 0 C--N 1.325 -0.473 0 O-C-N 124.452 1.095 . . . . 0.0 111.038 -161.749 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 15' ' ' PRO . . . . . 0.597 ' CD ' ' N ' ' A' ' 14' ' ' PHE . 18.5 Cg_endo -75.01 -29.75 7.89 Favored 'Trans proline' 0 C--N 1.361 1.219 0 O-C-N 124.517 1.799 . . . . 0.0 111.018 -179.701 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 1.1 t -67.64 -35.45 72.94 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.518 0 O-C-N 124.482 1.114 . . . . 0.0 109.271 178.951 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 70.3 m -73.27 -43.24 61.41 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.479 1.112 . . . . 0.0 108.236 -179.602 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 13.9 ttmt -68.0 -32.49 72.93 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.556 1.16 . . . . 0.0 109.327 -176.055 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 41.0 t -78.75 -64.34 1.2 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.484 1.115 . . . . 0.0 110.045 -178.026 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -85.09 -38.04 19.57 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.505 1.128 . . . . 0.0 110.312 -159.412 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 82.1 m-85 -98.35 -25.74 14.73 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.474 1.109 . . . . 0.0 110.97 -176.47 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 80.71 27.72 49.72 Favored Glycine 0 CA--C 1.53 0.971 0 O-C-N 124.527 1.142 . . . . 0.0 111.063 174.49 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 2.2 mtpp -90.28 168.73 11.69 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.456 0.739 . . . . 0.0 109.249 -176.609 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 1.9 p -76.47 -31.22 57.66 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.505 1.128 . . . . 0.0 110.425 -170.694 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 55.9 t30 -163.82 162.04 23.51 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.479 1.112 . . . . 0.0 109.26 -177.056 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -142.31 162.35 27.24 Favored Glycine 0 CA--C 1.53 1.031 0 O-C-N 124.474 1.109 . . . . 0.0 110.998 175.471 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 2.2 tpt180 -154.64 144.98 22.05 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.576 0.81 . . . . 0.0 110.291 -178.755 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 13.5 t -83.78 99.02 10.02 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.485 1.115 . . . . 0.0 108.247 -177.13 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 81.1 t -94.97 110.0 23.22 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.39 1.056 . . . . 0.0 109.336 -178.291 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 32.2 m120 53.51 42.59 31.92 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.557 1.161 . . . . 0.0 109.395 175.344 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . 86.45 7.94 78.42 Favored Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.458 1.099 . . . . 0.0 111.011 166.097 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 32' ' ' PHE . . . . . . . . . . . . . 43.7 m-85 -140.07 144.38 36.81 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.556 0.797 . . . . 0.0 111.077 177.659 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 33' ' ' CYS . . . . . . . . . . . . . 83.8 m -72.66 142.86 48.28 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.524 1.14 . . . . 0.0 108.29 -168.578 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 11.5 t70 -133.11 125.32 29.29 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.531 1.144 . . . . 0.0 109.301 172.873 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 35' ' ' CYS . . . . . . . . . . . . . 58.6 m -108.08 139.36 42.85 Favored 'General case' 0 C--N 1.324 -0.536 0 O-C-N 124.565 1.165 . . . . 0.0 108.348 -172.364 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 36' ' ' PHE . . . . . . . . . . . . . 31.3 p90 . . . . . 0 C--N 1.324 -0.523 0 O-C-N 124.478 1.111 . . . . 0.0 111.087 -179.407 . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 1' ' ' ARG . . . . . . . . . . . . . 11.5 ptm180 . . . . . 0 N--CA 1.453 -0.285 0 N-CA-C 110.277 -0.268 . . . . 0.0 110.277 . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.05 162.81 36.4 Favored 'Trans proline' 0 C--N 1.36 1.163 0 O-C-N 124.527 1.804 . . . . 0.0 110.983 169.168 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 16.3 p -131.16 -161.34 1.12 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.495 1.122 . . . . 0.0 110.39 172.275 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 4.7 p-10 -124.79 20.08 8.51 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.522 1.139 . . . . 0.0 109.267 177.335 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 5' ' ' ILE . . . . . . . . . . . . . 83.5 mt -87.28 113.79 25.29 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.588 1.18 . . . . 0.0 109.378 177.038 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 58.3 tttm -75.64 144.94 41.42 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.492 1.12 . . . . 0.0 109.272 -178.696 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 7' ' ' CYS . . . . . 0.637 ' SG ' ' SG ' ' A' ' 13' ' ' CYS . 5.2 p -151.9 153.6 34.47 Favored 'General case' 0 C--N 1.324 -0.54 0 O-C-N 124.549 1.155 . . . . 0.0 108.335 -176.819 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 60.6 p -97.7 -26.26 14.81 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.459 1.099 . . . . 0.0 110.036 172.693 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 4.0 mp0 -149.57 163.97 36.4 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.502 1.126 . . . . 0.0 110.286 -169.694 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 67.4 m -80.29 -31.91 38.19 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.554 1.159 . . . . 0.0 110.063 -163.33 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 16.9 p90 -70.42 -11.34 60.85 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.468 1.105 . . . . 0.0 111.002 -176.633 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 78.5 mt-30 -76.18 -32.34 58.98 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.447 1.092 . . . . 0.0 110.39 172.621 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 13' ' ' CYS . . . . . 0.637 ' SG ' ' SG ' ' A' ' 7' ' ' CYS . 71.6 m -85.38 -40.06 16.9 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.509 1.13 . . . . 0.0 108.282 -169.648 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 14' ' ' PHE . . . . . 0.6 ' N ' ' CD ' ' A' ' 15' ' ' PRO . 0.1 OUTLIER -58.22 -44.82 99.59 Favored Pre-proline 0 C--N 1.325 -0.495 0 O-C-N 124.488 1.117 . . . . 0.0 111.032 -161.711 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 15' ' ' PRO . . . . . 0.6 ' CD ' ' N ' ' A' ' 14' ' ' PHE . 18.0 Cg_endo -75.04 -29.84 7.75 Favored 'Trans proline' 0 C--N 1.36 1.161 0 O-C-N 124.506 1.793 . . . . 0.0 110.96 -179.29 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 1.1 t -67.9 -35.58 72.64 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.479 1.112 . . . . 0.0 109.299 178.948 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 99.2 m -75.01 -41.6 59.13 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.551 1.157 . . . . 0.0 108.311 -178.737 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 86.7 tttt -66.88 -33.77 76.33 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.538 1.149 . . . . 0.0 109.26 -177.683 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 41.5 t -77.38 -59.12 2.91 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.553 1.158 . . . . 0.0 109.961 -178.308 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 4.4 tmt_? -84.41 -50.33 7.88 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.553 1.158 . . . . 0.0 110.333 -161.758 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 66.0 m-85 -88.39 -24.5 23.06 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.501 1.125 . . . . 0.0 110.925 -175.519 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 79.6 26.85 55.86 Favored Glycine 0 CA--C 1.53 0.973 0 O-C-N 124.497 1.123 . . . . 0.0 111.001 179.472 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 25.2 mmtt -88.05 169.8 11.64 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.453 0.737 . . . . 0.0 109.322 -176.755 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 1.4 p -74.92 -37.18 62.11 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.557 1.16 . . . . 0.0 110.412 -174.929 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 5.9 t-20 -162.34 166.62 25.0 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.516 1.135 . . . . 0.0 109.215 -173.268 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -146.81 162.76 28.57 Favored Glycine 0 CA--C 1.531 1.036 0 O-C-N 124.506 1.128 . . . . 0.0 111.024 176.77 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 56.0 ttp180 -150.48 144.05 25.13 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.524 0.779 . . . . 0.0 110.326 -177.543 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 6.9 t -81.95 99.37 9.06 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.536 1.148 . . . . 0.0 108.287 -176.281 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 73.1 t -94.9 109.98 23.16 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.444 0 O-C-N 124.474 1.108 . . . . 0.0 109.264 -179.658 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 31.7 m120 53.46 41.99 32.03 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.428 1.08 . . . . 0.0 109.317 176.41 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . 87.81 4.98 78.47 Favored Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.476 1.11 . . . . 0.0 110.998 166.289 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 32' ' ' PHE . . . . . . . . . . . . . 29.7 m-85 -140.14 145.71 37.9 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.507 0.769 . . . . 0.0 110.997 179.479 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 33' ' ' CYS . . . . . . . . . . . . . 75.2 m -74.71 141.54 44.49 Favored 'General case' 0 C--N 1.326 -0.421 0 O-C-N 124.51 1.132 . . . . 0.0 108.323 -165.433 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 10.2 t70 -128.41 128.12 43.86 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.453 1.095 . . . . 0.0 109.323 168.083 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 35' ' ' CYS . . . . . . . . . . . . . 58.7 m -106.65 139.85 40.45 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.517 1.135 . . . . 0.0 108.281 -171.604 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 36' ' ' PHE . . . . . . . . . . . . . 31.3 p90 . . . . . 0 C--N 1.324 -0.506 0 O-C-N 124.408 1.067 . . . . 0.0 111.064 -178.939 . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 1' ' ' ARG . . . . . . . . . . . . . 99.2 mtt180 . . . . . 0 N--CA 1.453 -0.304 0 N-CA-C 110.303 -0.258 . . . . 0.0 110.303 . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.93 158.72 42.28 Favored 'Trans proline' 0 C--N 1.36 1.17 0 O-C-N 124.496 1.787 . . . . 0.0 111.05 177.319 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 51.0 p -126.41 -162.36 1.13 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.501 1.126 . . . . 0.0 110.319 178.29 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 17.0 p-10 -109.12 -2.1 18.32 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.528 1.143 . . . . 0.0 109.331 175.998 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 5' ' ' ILE . . . . . . . . . . . . . 75.5 mt -74.88 117.23 18.74 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.503 1.127 . . . . 0.0 109.26 -175.128 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 51.9 tttm -80.03 146.91 31.72 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.437 1.086 . . . . 0.0 109.302 -177.661 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 7' ' ' CYS . . . . . 0.615 ' SG ' ' SG ' ' A' ' 13' ' ' CYS . 8.4 p -153.77 157.5 39.51 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.528 1.143 . . . . 0.0 108.296 -178.401 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 92.3 p -96.93 -27.75 14.51 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.5 1.125 . . . . 0.0 110.086 169.797 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 30.6 mm-40 -149.18 161.18 42.5 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.487 1.117 . . . . 0.0 110.3 -162.507 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 58.1 m -79.4 -33.7 42.49 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.444 1.09 . . . . 0.0 110.05 -163.88 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 18.1 p90 -70.74 -11.43 60.95 Favored 'General case' 0 C--N 1.326 -0.43 0 O-C-N 124.468 1.105 . . . . 0.0 110.969 -176.385 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 74.6 mt-30 -75.97 -32.66 59.6 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.425 1.078 . . . . 0.0 110.322 173.265 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 13' ' ' CYS . . . . . 0.615 ' SG ' ' SG ' ' A' ' 7' ' ' CYS . 77.5 m -85.73 -34.19 21.28 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.49 1.119 . . . . 0.0 108.254 -170.157 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 14' ' ' PHE . . . . . 0.588 ' N ' ' CD ' ' A' ' 15' ' ' PRO . 0.1 OUTLIER -58.33 -45.12 99.73 Favored Pre-proline 0 C--N 1.325 -0.5 0 O-C-N 124.554 1.159 . . . . 0.0 111.05 -162.915 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 15' ' ' PRO . . . . . 0.588 ' CD ' ' N ' ' A' ' 14' ' ' PHE . 18.2 Cg_endo -75.0 -32.96 4.95 Favored 'Trans proline' 0 C--N 1.361 1.185 0 O-C-N 124.489 1.784 . . . . 0.0 110.996 179.735 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 0.9 OUTLIER -60.15 -40.36 83.23 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.548 1.155 . . . . 0.0 109.336 176.206 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 68.9 m -75.22 -40.72 58.85 Favored 'General case' 0 C--N 1.326 -0.426 0 O-C-N 124.394 1.059 . . . . 0.0 108.362 -174.354 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 14.7 tmtt? -68.99 -33.16 73.22 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.537 1.148 . . . . 0.0 109.355 -176.949 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 41.7 t -77.71 -57.2 3.94 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.531 1.144 . . . . 0.0 109.98 -177.405 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 41.2 ttm180 -82.59 -53.95 5.55 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.48 1.113 . . . . 0.0 110.284 -164.034 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 90.7 m-85 -94.25 -17.34 22.76 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.481 1.113 . . . . 0.0 110.972 -171.772 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 77.41 27.65 59.13 Favored Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.529 1.143 . . . . 0.0 111.08 173.905 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 2.9 mtpp -86.73 171.18 11.12 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.52 0.776 . . . . 0.0 109.252 -178.697 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 1.3 p -74.96 -37.56 61.92 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.55 1.156 . . . . 0.0 110.336 -175.514 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 30.5 t-20 -163.12 165.62 24.4 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.474 1.109 . . . . 0.0 109.323 -171.937 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -143.33 162.19 27.61 Favored Glycine 0 CA--C 1.53 0.983 0 O-C-N 124.524 1.14 . . . . 0.0 110.976 176.797 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 9.7 ptp180 -149.4 158.47 44.2 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.454 0.738 . . . . 0.0 110.272 177.039 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 4.7 t -94.32 105.66 17.64 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.554 1.159 . . . . 0.0 108.277 -172.586 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 94.8 t -96.88 109.93 23.99 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.502 1.126 . . . . 0.0 109.313 177.856 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 35.5 m-20 57.85 35.62 25.59 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.42 1.075 . . . . 0.0 109.246 171.837 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . 88.34 8.76 70.78 Favored Glycine 0 CA--C 1.53 1.029 0 O-C-N 124.494 1.121 . . . . 0.0 110.997 169.694 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 32' ' ' PHE . . . . . . . . . . . . . 49.8 m-85 -139.99 146.06 38.62 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.511 0.771 . . . . 0.0 111.021 177.624 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 33' ' ' CYS . . . . . . . . . . . . . 89.1 m -74.31 147.63 42.11 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.508 1.13 . . . . 0.0 108.325 -163.894 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 13.7 t0 -138.51 127.62 24.14 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.534 1.146 . . . . 0.0 109.315 169.758 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 35' ' ' CYS . . . . . . . . . . . . . 56.1 m -101.43 146.14 28.02 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.45 1.093 . . . . 0.0 108.346 -172.043 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 36' ' ' PHE . . . . . . . . . . . . . 45.6 p90 . . . . . 0 C--N 1.324 -0.53 0 O-C-N 124.544 1.152 . . . . 0.0 111.022 177.04 . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 1' ' ' ARG . . . . . . . . . . . . . 39.4 ptt180 . . . . . 0 N--CA 1.452 -0.327 0 N-CA-C 110.322 -0.251 . . . . 0.0 110.322 . . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.02 159.85 40.8 Favored 'Trans proline' 0 C--N 1.359 1.13 0 O-C-N 124.568 1.826 . . . . 0.0 110.986 169.578 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 20.3 p -132.47 -163.9 1.4 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.513 1.133 . . . . 0.0 110.361 175.624 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 39.2 p-10 -114.61 9.33 16.53 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.456 1.097 . . . . 0.0 109.237 -177.606 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 5' ' ' ILE . . . . . . . . . . . . . 83.3 mt -84.48 119.05 32.77 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.528 0 O-C-N 124.511 1.132 . . . . 0.0 109.301 -178.956 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 52.8 mtpt -78.22 151.46 33.12 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.533 1.146 . . . . 0.0 109.348 -177.379 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 7' ' ' CYS . . . . . 0.482 ' SG ' ' SG ' ' A' ' 13' ' ' CYS . 6.8 p -159.1 157.61 31.35 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.487 1.117 . . . . 0.0 108.305 -178.827 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 92.3 p -97.49 -28.34 14.02 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.474 1.109 . . . . 0.0 110.048 169.05 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 31.0 mm-40 -149.23 160.67 43.17 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.52 1.137 . . . . 0.0 110.342 -163.699 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 31.9 m -80.08 -32.9 39.25 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.505 1.128 . . . . 0.0 110.041 -163.321 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 17.1 p90 -70.14 -11.97 61.27 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.499 1.125 . . . . 0.0 111.042 -176.795 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 74.7 mt-30 -74.4 -33.88 63.14 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.558 1.161 . . . . 0.0 110.279 173.203 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 13' ' ' CYS . . . . . 0.482 ' SG ' ' SG ' ' A' ' 7' ' ' CYS . 64.7 m -85.7 -34.76 21.19 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.46 1.1 . . . . 0.0 108.287 -169.401 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 14' ' ' PHE . . . . . 0.586 ' N ' ' CD ' ' A' ' 15' ' ' PRO . 0.1 OUTLIER -58.24 -44.81 99.58 Favored Pre-proline 0 C--N 1.325 -0.477 0 O-C-N 124.506 1.129 . . . . 0.0 111.022 -162.214 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 15' ' ' PRO . . . . . 0.586 ' CD ' ' N ' ' A' ' 14' ' ' PHE . 18.6 Cg_endo -74.98 -33.78 4.34 Favored 'Trans proline' 0 C--N 1.359 1.118 0 O-C-N 124.547 1.814 . . . . 0.0 111.0 178.991 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 0.9 OUTLIER -59.99 -40.06 81.99 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.506 1.129 . . . . 0.0 109.291 177.29 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 88.1 m -75.11 -39.47 60.62 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.488 1.118 . . . . 0.0 108.313 -172.92 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 37.8 ttpt -70.01 -34.18 72.96 Favored 'General case' 0 C--N 1.327 -0.403 0 O-C-N 124.525 1.141 . . . . 0.0 109.332 -177.919 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 43.4 t -75.03 -50.95 14.83 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.518 1.136 . . . . 0.0 110.008 -178.137 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 25.4 tpt180 -83.1 -60.93 2.0 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.505 1.128 . . . . 0.0 110.315 -165.124 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 40.5 m-85 -99.61 -14.06 19.13 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.461 1.1 . . . . 0.0 111.011 -168.692 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 78.05 43.25 14.17 Favored Glycine 0 CA--C 1.53 0.986 0 O-C-N 124.44 1.087 . . . . 0.0 111.035 175.339 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 4.2 mptp? -101.79 160.41 14.49 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.495 0.762 . . . . 0.0 109.333 179.037 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 9.0 p -76.61 -36.44 57.47 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.507 1.129 . . . . 0.0 110.421 -170.42 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 58.7 t30 -156.74 158.39 36.8 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.504 1.127 . . . . 0.0 109.361 -177.324 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -142.73 148.21 19.88 Favored Glycine 0 CA--C 1.53 0.991 0 O-C-N 124.46 1.1 . . . . 0.0 110.958 177.117 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 99.8 mtt180 -135.17 149.64 49.99 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.517 0.775 . . . . 0.0 110.295 -177.572 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 8.5 t -88.46 98.47 11.65 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.48 1.113 . . . . 0.0 108.279 -173.025 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 99.6 t -95.04 110.67 24.33 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.503 1.127 . . . . 0.0 109.302 -179.884 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 35.7 m-20 58.38 37.02 25.85 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.506 1.128 . . . . 0.0 109.27 172.022 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . 85.17 11.01 76.91 Favored Glycine 0 CA--C 1.529 0.96 0 O-C-N 124.542 1.151 . . . . 0.0 110.995 170.186 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 32' ' ' PHE . . . . . . . . . . . . . 33.2 m-85 -137.17 146.05 44.48 Favored 'General case' 0 C--N 1.324 -0.537 0 O-C-N 124.437 0.728 . . . . 0.0 110.998 176.848 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 33' ' ' CYS . . . . . . . . . . . . . 96.1 m -73.39 138.82 45.52 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.453 1.095 . . . . 0.0 108.309 -171.968 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 9.8 t70 -126.99 122.28 34.06 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.509 1.131 . . . . 0.0 109.282 170.536 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 35' ' ' CYS . . . . . . . . . . . . . 72.0 m -107.95 139.85 41.95 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.508 1.13 . . . . 0.0 108.321 -168.478 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 36' ' ' PHE . . . . . . . . . . . . . 45.9 p90 . . . . . 0 C--N 1.324 -0.504 0 O-C-N 124.578 1.174 . . . . 0.0 110.988 179.784 . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 1' ' ' ARG . . . . . . . . . . . . . 99.4 mtt180 . . . . . 0 N--CA 1.453 -0.281 0 N-CA-C 110.332 -0.248 . . . . 0.0 110.332 . . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.96 144.62 30.63 Favored 'Trans proline' 0 C--N 1.359 1.13 0 O-C-N 124.497 1.788 . . . . 0.0 111.049 166.319 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 25.9 p -123.47 -162.14 1.02 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.513 1.133 . . . . 0.0 110.378 -179.571 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 6.7 p-10 -122.33 16.08 10.56 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.476 1.11 . . . . 0.0 109.282 -178.152 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 5' ' ' ILE . . . . . . . . . . . . . 85.5 mt -80.53 114.56 21.64 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.508 1.13 . . . . 0.0 109.314 178.002 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 84.8 tttt -73.01 144.72 47.08 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.548 1.155 . . . . 0.0 109.284 -173.156 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 7' ' ' CYS . . . . . 0.457 ' SG ' ' SG ' ' A' ' 13' ' ' CYS . 6.1 p -154.21 153.06 31.11 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.526 1.141 . . . . 0.0 108.282 -178.218 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 20.7 p -93.99 -31.44 14.25 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.456 1.097 . . . . 0.0 110.011 170.515 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 47.1 mt-10 -149.47 163.15 38.61 Favored 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.568 1.167 . . . . 0.0 110.304 -163.686 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 56.0 m -79.93 -35.87 37.16 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.519 1.137 . . . . 0.0 110.056 -159.903 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 23.4 p90 -73.14 -6.18 44.01 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.518 1.136 . . . . 0.0 111.008 -175.303 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 91.4 mt-30 -76.07 -33.95 59.56 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.567 1.167 . . . . 0.0 110.294 170.882 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 13' ' ' CYS . . . . . 0.457 ' SG ' ' SG ' ' A' ' 7' ' ' CYS . 72.3 m -85.74 -35.33 20.86 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.525 1.141 . . . . 0.0 108.28 -170.783 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 14' ' ' PHE . . . . . 0.591 ' N ' ' CD ' ' A' ' 15' ' ' PRO . 0.1 OUTLIER -58.77 -44.82 99.44 Favored Pre-proline 0 C--N 1.325 -0.47 0 O-C-N 124.505 1.128 . . . . 0.0 111.032 -162.683 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 15' ' ' PRO . . . . . 0.591 ' CD ' ' N ' ' A' ' 14' ' ' PHE . 18.3 Cg_endo -74.97 -30.03 7.66 Favored 'Trans proline' 0 C--N 1.36 1.158 0 O-C-N 124.494 1.786 . . . . 0.0 110.99 179.834 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 0.9 OUTLIER -64.1 -38.11 81.59 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.435 1.084 . . . . 0.0 109.316 176.611 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 91.6 m -74.99 -42.85 56.72 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.452 1.095 . . . . 0.0 108.301 -176.942 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 37.4 ttpt -61.88 -39.67 92.72 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.455 1.097 . . . . 0.0 109.345 -179.05 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 40.3 t -74.54 -63.2 1.29 Allowed 'General case' 0 C--N 1.326 -0.423 0 O-C-N 124.456 1.097 . . . . 0.0 110.012 -175.917 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 4.4 tmt_? -85.12 -46.96 10.63 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.434 1.084 . . . . 0.0 110.371 -162.083 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 68.5 m-85 -90.3 -21.41 22.07 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.462 1.101 . . . . 0.0 110.979 -172.42 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 73.67 36.47 53.56 Favored Glycine 0 CA--C 1.529 0.968 0 O-C-N 124.468 1.105 . . . . 0.0 111.044 178.678 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -102.19 165.7 11.0 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.48 0.753 . . . . 0.0 109.249 -177.898 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 7.5 p -77.6 -37.49 50.21 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.5 1.125 . . . . 0.0 110.4 -171.022 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 52.2 t30 -157.75 158.97 36.31 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.474 1.109 . . . . 0.0 109.251 -177.063 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -144.4 148.64 20.5 Favored Glycine 0 CA--C 1.529 0.938 0 O-C-N 124.448 1.093 . . . . 0.0 111.025 178.073 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 99.7 mtt180 -139.1 156.67 46.98 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.477 0.751 . . . . 0.0 110.311 -178.455 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 11.1 t -91.25 101.56 14.28 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.552 1.158 . . . . 0.0 108.28 -173.149 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 88.1 t -96.06 109.85 23.47 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.444 0 O-C-N 124.501 1.126 . . . . 0.0 109.265 -178.389 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 32.2 m120 53.48 41.7 32.07 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.476 1.11 . . . . 0.0 109.267 175.304 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . 85.69 7.68 81.24 Favored Glycine 0 CA--C 1.529 0.95 0 O-C-N 124.483 1.114 . . . . 0.0 111.041 167.485 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 32' ' ' PHE . . . . . . . . . . . . . 67.6 m-85 -139.34 143.18 37.69 Favored 'General case' 0 C--N 1.327 -0.411 0 O-C-N 124.429 0.723 . . . . 0.0 110.988 178.301 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 33' ' ' CYS . . . . . . . . . . . . . 91.8 m -70.65 144.71 51.0 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.532 1.145 . . . . 0.0 108.303 -167.837 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 10.3 t70 -132.45 126.26 32.63 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.471 1.107 . . . . 0.0 109.316 168.594 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 35' ' ' CYS . . . . . . . . . . . . . 65.9 m -102.38 142.31 33.8 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.53 1.144 . . . . 0.0 108.257 -174.913 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 36' ' ' PHE . . . . . . . . . . . . . 50.4 p90 . . . . . 0 C--N 1.326 -0.451 0 O-C-N 124.551 1.157 . . . . 0.0 110.994 176.726 . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 1' ' ' ARG . . . . . . . . . . . . . 95.1 mtt180 . . . . . 0 N--CA 1.453 -0.288 0 N-CA-C 110.291 -0.263 . . . . 0.0 110.291 . . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.97 159.63 41.24 Favored 'Trans proline' 0 C--N 1.36 1.167 0 O-C-N 124.435 1.755 . . . . 0.0 110.996 178.061 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 29.1 p -133.17 -165.27 1.59 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.622 1.201 . . . . 0.0 110.412 179.61 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 12.0 p-10 -101.94 -5.64 24.43 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.481 1.113 . . . . 0.0 109.351 -174.957 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 5' ' ' ILE . . . . . . . . . . . . . 82.2 mt -80.35 118.68 28.42 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.443 0 O-C-N 124.485 1.115 . . . . 0.0 109.333 -172.954 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 27.7 mtpp -79.66 153.21 29.51 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.546 1.154 . . . . 0.0 109.298 -179.107 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 7' ' ' CYS . . . . . 0.668 ' SG ' ' SG ' ' A' ' 13' ' ' CYS . 4.7 p -157.17 155.39 30.85 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.495 1.122 . . . . 0.0 108.297 -178.608 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 97.5 p -95.36 -28.14 15.1 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.494 1.121 . . . . 0.0 110.106 171.058 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 1.5 mp0 -149.33 161.26 42.41 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.516 1.135 . . . . 0.0 110.328 -163.317 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 74.3 m -80.01 -33.66 39.1 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.605 1.191 . . . . 0.0 110.039 -163.49 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 15.6 p90 -70.27 -11.25 60.77 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.554 1.159 . . . . 0.0 111.013 -176.523 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 74.8 mt-30 -75.02 -35.99 61.94 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.47 1.106 . . . . 0.0 110.343 173.322 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 13' ' ' CYS . . . . . 0.668 ' SG ' ' SG ' ' A' ' 7' ' ' CYS . 76.4 m -85.73 -35.93 20.49 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.488 1.118 . . . . 0.0 108.357 -169.553 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 14' ' ' PHE . . . . . 0.598 ' N ' ' CD ' ' A' ' 15' ' ' PRO . 0.1 OUTLIER -59.07 -44.31 98.54 Favored Pre-proline 0 C--N 1.325 -0.486 0 O-C-N 124.437 1.086 . . . . 0.0 111.019 -161.438 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 15' ' ' PRO . . . . . 0.598 ' CD ' ' N ' ' A' ' 14' ' ' PHE . 18.5 Cg_endo -74.95 -34.02 4.2 Favored 'Trans proline' 0 C--N 1.36 1.164 0 O-C-N 124.47 1.774 . . . . 0.0 111.026 179.116 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 0.9 OUTLIER -58.67 -39.53 76.57 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 O-C-N 124.473 1.108 . . . . 0.0 109.358 175.377 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 91.5 m -75.02 -44.65 46.76 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.52 1.138 . . . . 0.0 108.304 -175.199 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 61.0 tttp -63.89 -37.12 86.24 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.447 1.092 . . . . 0.0 109.302 -176.017 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 42.8 t -78.01 -62.8 1.56 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.478 1.111 . . . . 0.0 110.042 -176.537 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 4.3 tmt_? -85.02 -45.34 12.23 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.457 1.098 . . . . 0.0 110.291 -161.523 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 69.6 m-85 -90.93 -20.59 22.02 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.519 1.137 . . . . 0.0 111.0 -173.136 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 75.38 41.93 29.22 Favored Glycine 0 CA--C 1.53 0.974 0 O-C-N 124.41 1.069 . . . . 0.0 110.952 174.22 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -109.69 169.9 8.41 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.463 0.743 . . . . 0.0 109.275 -177.187 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 9.4 p -78.76 -35.9 43.85 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.545 1.153 . . . . 0.0 110.393 -173.398 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 60.9 t30 -157.26 161.92 39.21 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.482 1.114 . . . . 0.0 109.302 -175.995 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -138.61 161.2 25.75 Favored Glycine 0 CA--C 1.53 0.982 0 O-C-N 124.567 1.167 . . . . 0.0 111.004 175.074 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 55.3 ttm-85 -153.23 143.25 22.2 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.471 0.747 . . . . 0.0 110.319 -178.026 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 9.3 t -86.02 99.07 11.21 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.484 1.115 . . . . 0.0 108.258 -175.75 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 99.0 t -98.19 113.45 32.87 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.529 1.143 . . . . 0.0 109.268 -179.756 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 38.0 m-20 58.31 36.3 25.48 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.479 1.112 . . . . 0.0 109.294 172.603 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . 83.49 11.93 79.2 Favored Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.484 1.115 . . . . 0.0 110.976 170.07 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 32' ' ' PHE . . . . . . . . . . . . . 32.9 m-85 -135.18 147.14 49.3 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.466 0.745 . . . . 0.0 110.968 176.113 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 33' ' ' CYS . . . . . . . . . . . . . 84.3 m -74.79 136.47 41.66 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.557 1.161 . . . . 0.0 108.284 -173.311 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 44.2 t0 -124.93 124.87 42.96 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.429 1.081 . . . . 0.0 109.328 172.697 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 35' ' ' CYS . . . . . . . . . . . . . 70.2 m -109.71 132.64 53.96 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.428 1.08 . . . . 0.0 108.222 -172.027 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 36' ' ' PHE . . . . . . . . . . . . . 38.4 p90 . . . . . 0 C--N 1.325 -0.463 0 O-C-N 124.489 1.118 . . . . 0.0 111.027 -177.089 . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 1' ' ' ARG . . . . . . . . . . . . . 1.5 mpp_? . . . . . 0 N--CA 1.454 -0.256 0 N-CA-C 110.215 -0.291 . . . . 0.0 110.215 . . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.08 156.57 42.66 Favored 'Trans proline' 0 C--N 1.362 1.25 0 O-C-N 124.496 1.787 . . . . 0.0 110.996 -163.211 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 22.7 p -132.71 -164.77 1.51 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.495 1.122 . . . . 0.0 110.424 174.477 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 12.6 p-10 -104.05 -5.06 22.49 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.545 1.153 . . . . 0.0 109.252 -175.525 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 5' ' ' ILE . . . . . . . . . . . . . 68.3 mt -77.34 120.61 28.15 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.527 0 O-C-N 124.579 1.174 . . . . 0.0 109.318 -171.192 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 1.9 mmpt? -77.19 146.74 36.86 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.47 1.106 . . . . 0.0 109.271 -177.558 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 7' ' ' CYS . . . . . 0.643 ' SG ' ' SG ' ' A' ' 13' ' ' CYS . 7.1 p -156.41 159.02 38.32 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.514 1.134 . . . . 0.0 108.33 178.119 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 88.4 p -102.0 -23.76 14.07 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.436 1.085 . . . . 0.0 110.059 170.966 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -150.71 159.95 44.17 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.471 1.107 . . . . 0.0 110.251 -164.868 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 63.2 m -79.36 -32.96 43.29 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.481 1.113 . . . . 0.0 110.0 -164.073 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 15.5 p90 -72.8 -10.15 59.47 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.535 1.147 . . . . 0.0 110.973 -176.137 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 53.3 mt-30 -74.63 -35.06 62.89 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.525 1.14 . . . . 0.0 110.244 171.018 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 13' ' ' CYS . . . . . 0.643 ' SG ' ' SG ' ' A' ' 7' ' ' CYS . 79.4 m -85.52 -40.03 16.78 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.468 1.105 . . . . 0.0 108.324 -168.239 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 14' ' ' PHE . . . . . 0.585 ' N ' ' CD ' ' A' ' 15' ' ' PRO . 0.1 OUTLIER -57.95 -44.64 99.52 Favored Pre-proline 0 C--N 1.325 -0.47 0 O-C-N 124.511 1.132 . . . . 0.0 111.003 -161.399 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 15' ' ' PRO . . . . . 0.585 ' CD ' ' N ' ' A' ' 14' ' ' PHE . 17.9 Cg_endo -75.09 -30.65 6.81 Favored 'Trans proline' 0 C--N 1.36 1.142 0 O-C-N 124.441 1.759 . . . . 0.0 110.941 179.562 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 1.1 t -68.5 -36.62 75.51 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.502 1.126 . . . . 0.0 109.313 -177.551 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 91.4 m -74.86 -41.93 58.89 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.531 1.144 . . . . 0.0 108.321 -177.086 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 40.3 tttp -70.21 -29.36 66.17 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.542 1.151 . . . . 0.0 109.294 -175.959 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 42.9 t -76.37 -51.84 11.1 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.453 1.095 . . . . 0.0 109.987 177.195 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 1.3 tpm_? -77.96 -60.64 2.29 Favored 'General case' 0 C--N 1.326 -0.426 0 O-C-N 124.474 1.109 . . . . 0.0 110.374 -168.548 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 36.3 m-85 -94.45 -25.19 17.0 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.494 1.121 . . . . 0.0 111.037 -168.944 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 83.88 25.13 46.67 Favored Glycine 0 CA--C 1.529 0.949 0 O-C-N 124.536 1.147 . . . . 0.0 111.029 178.369 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 30.7 mttp -83.54 165.08 19.39 Favored 'General case' 0 C--N 1.326 -0.43 0 O-C-N 124.508 0.769 . . . . 0.0 109.358 176.977 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 1.4 p -74.67 -35.03 62.8 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.53 1.144 . . . . 0.0 110.395 -167.631 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 6.4 t-20 -160.17 165.69 31.12 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.496 1.122 . . . . 0.0 109.331 -176.548 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -158.71 143.73 9.6 Favored Glycine 0 CA--C 1.529 0.959 0 O-C-N 124.501 1.125 . . . . 0.0 110.998 177.442 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 97.5 mtt180 -143.94 156.08 44.29 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.438 0.729 . . . . 0.0 110.353 -171.044 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 5.2 t -90.78 105.98 18.2 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.511 1.132 . . . . 0.0 108.297 -166.281 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 97.0 t -104.4 112.85 39.63 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.505 1.128 . . . . 0.0 109.294 178.216 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 36.3 m-20 58.22 34.56 24.23 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.421 1.076 . . . . 0.0 109.313 173.042 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . 92.89 -3.0 73.25 Favored Glycine 0 CA--C 1.529 0.968 0 O-C-N 124.464 1.102 . . . . 0.0 111.031 168.675 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 32' ' ' PHE . . . . . . . . . . . . . 54.3 m-85 -124.38 144.56 49.97 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.499 0.764 . . . . 0.0 110.975 -179.305 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 33' ' ' CYS . . . . . . . . . . . . . 91.9 m -70.52 140.62 51.87 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.499 1.124 . . . . 0.0 108.314 -174.772 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 12.1 t70 -131.03 109.92 10.85 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.493 1.12 . . . . 0.0 109.273 178.274 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 35' ' ' CYS . . . . . . . . . . . . . 60.2 m -107.05 137.06 45.84 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.471 1.107 . . . . 0.0 108.328 -163.562 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 36' ' ' PHE . . . . . . . . . . . . . 46.8 p90 . . . . . 0 C--N 1.324 -0.51 0 O-C-N 124.604 1.19 . . . . 0.0 110.979 -177.491 . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 1' ' ' ARG . . . . . . . . . . . . . 68.3 mtt85 . . . . . 0 N--CA 1.453 -0.296 0 N-CA-C 110.254 -0.276 . . . . 0.0 110.254 . . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.96 154.85 42.98 Favored 'Trans proline' 0 C--N 1.359 1.103 0 O-C-N 124.554 1.818 . . . . 0.0 111.028 -178.57 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 31.6 p -126.62 -164.11 1.3 Allowed 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.422 1.076 . . . . 0.0 110.453 172.793 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 36.6 p-10 -108.6 6.28 25.78 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.468 1.105 . . . . 0.0 109.312 -175.863 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 5' ' ' ILE . . . . . . . . . . . . . 74.2 mt -82.42 111.57 19.01 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.535 1.147 . . . . 0.0 109.341 -178.002 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 19.5 ptmt -69.88 153.67 42.98 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.53 1.144 . . . . 0.0 109.355 179.944 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 7' ' ' CYS . . . . . 0.441 ' SG ' ' SG ' ' A' ' 13' ' ' CYS . 8.6 p -160.72 154.73 22.8 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.446 1.092 . . . . 0.0 108.24 -178.191 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 77.6 p -95.37 -29.67 14.32 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.465 1.103 . . . . 0.0 109.978 170.141 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 47.8 mm-40 -149.47 162.19 40.63 Favored 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.556 1.16 . . . . 0.0 110.337 -165.416 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 21.5 m -80.15 -32.81 38.85 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.474 1.109 . . . . 0.0 109.999 -163.732 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 16.0 p90 -69.87 -12.05 61.33 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.5 1.125 . . . . 0.0 111.006 -176.864 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 82.6 mt-30 -75.42 -33.26 60.92 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.505 1.128 . . . . 0.0 110.301 173.633 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 13' ' ' CYS . . . . . 0.441 ' SG ' ' SG ' ' A' ' 7' ' ' CYS . 64.2 m -85.77 -32.91 21.57 Favored 'General case' 0 C--N 1.326 -0.426 0 O-C-N 124.456 1.097 . . . . 0.0 108.316 -170.738 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 14' ' ' PHE . . . . . 0.598 ' N ' ' CD ' ' A' ' 15' ' ' PRO . 0.1 OUTLIER -57.48 -45.26 99.88 Favored Pre-proline 0 C--N 1.325 -0.462 0 O-C-N 124.488 1.117 . . . . 0.0 111.068 -162.08 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 15' ' ' PRO . . . . . 0.598 ' CD ' ' N ' ' A' ' 14' ' ' PHE . 18.6 Cg_endo -74.98 -35.78 2.96 Favored 'Trans proline' 0 C--N 1.36 1.137 0 O-C-N 124.557 1.82 . . . . 0.0 111.025 -179.246 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 0.9 OUTLIER -55.87 -42.95 72.78 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.521 0 O-C-N 124.467 1.105 . . . . 0.0 109.291 174.448 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 96.7 m -75.07 -46.0 37.67 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.484 1.115 . . . . 0.0 108.314 -173.773 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 1.1 tmtp? -63.6 -34.68 78.35 Favored 'General case' 0 C--N 1.326 -0.414 0 O-C-N 124.474 1.108 . . . . 0.0 109.358 -175.37 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 43.2 t -78.24 -65.41 0.98 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.514 1.133 . . . . 0.0 110.015 -176.978 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 3.3 tmm_? -85.07 -40.04 17.27 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.402 1.064 . . . . 0.0 110.276 -159.326 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 74.2 m-85 -92.22 -21.43 20.35 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.462 1.101 . . . . 0.0 111.047 -177.314 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 78.75 26.2 59.1 Favored Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.44 1.087 . . . . 0.0 110.998 174.485 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 18.7 mmtt -85.17 174.55 9.57 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.523 0.778 . . . . 0.0 109.301 -177.352 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 7.3 p -78.1 -43.13 29.9 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.414 1.071 . . . . 0.0 110.457 177.942 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 48.0 t30 -163.02 161.5 25.49 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.486 1.116 . . . . 0.0 109.306 -175.86 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -138.94 169.73 24.31 Favored Glycine 0 CA--C 1.53 0.987 0 O-C-N 124.568 1.168 . . . . 0.0 111.023 177.204 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 12.2 ptm85 -156.88 156.96 34.02 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.497 0.763 . . . . 0.0 110.31 -178.593 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 5.1 t -91.49 109.12 20.41 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.502 1.126 . . . . 0.0 108.327 -173.053 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 90.9 t -102.95 111.81 34.1 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.558 1.161 . . . . 0.0 109.312 176.504 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 37.0 m-20 57.86 36.86 26.73 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.467 1.104 . . . . 0.0 109.219 171.604 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . 85.34 10.88 76.59 Favored Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.529 1.143 . . . . 0.0 110.944 169.592 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 32' ' ' PHE . . . . . . . . . . . . . 44.0 m-85 -140.16 145.63 37.76 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.519 0.776 . . . . 0.0 110.945 176.867 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 33' ' ' CYS . . . . . . . . . . . . . 90.6 m -71.95 147.49 46.93 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.517 1.136 . . . . 0.0 108.284 -166.913 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 11.4 t0 -137.86 121.27 17.11 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.475 1.109 . . . . 0.0 109.277 172.849 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 35' ' ' CYS . . . . . . . . . . . . . 52.7 m -105.99 134.36 49.25 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.532 1.145 . . . . 0.0 108.279 -170.868 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 36' ' ' PHE . . . . . . . . . . . . . 52.6 p90 . . . . . 0 C--N 1.325 -0.5 0 O-C-N 124.461 1.101 . . . . 0.0 111.024 -177.384 . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 1' ' ' ARG . . . . . . . . . . . . . 39.0 mtp-105 . . . . . 0 N--CA 1.453 -0.312 0 N-CA-C 110.272 -0.269 . . . . 0.0 110.272 . . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.06 146.48 32.49 Favored 'Trans proline' 0 C--N 1.36 1.177 0 O-C-N 124.455 1.766 . . . . 0.0 111.021 165.517 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 32.2 p -123.98 -164.44 1.24 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.557 1.161 . . . . 0.0 110.364 -177.969 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 15.5 p-10 -104.51 -1.32 26.79 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.446 1.091 . . . . 0.0 109.325 -174.843 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 5' ' ' ILE . . . . . . . . . . . . . 82.3 mt -77.37 119.92 26.87 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.437 0 O-C-N 124.436 1.085 . . . . 0.0 109.297 -173.7 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 64.5 mttp -79.37 150.64 31.33 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.451 1.095 . . . . 0.0 109.262 -176.074 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 7' ' ' CYS . . . . . 0.728 ' SG ' ' SG ' ' A' ' 13' ' ' CYS . 5.5 p -158.28 154.99 28.06 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.532 1.145 . . . . 0.0 108.289 179.743 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 88.1 p -99.55 -26.88 13.95 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.492 1.12 . . . . 0.0 109.973 171.83 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 49.2 mt-10 -149.28 161.4 42.12 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.502 1.126 . . . . 0.0 110.298 -165.864 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 57.9 m -80.43 -34.51 36.06 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.483 1.114 . . . . 0.0 109.97 -159.155 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 23.2 p90 -72.65 -7.03 48.32 Favored 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.499 1.124 . . . . 0.0 111.028 -175.778 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 63.0 mt-30 -74.29 -38.68 63.31 Favored 'General case' 0 C--N 1.326 -0.424 0 O-C-N 124.494 1.121 . . . . 0.0 110.279 168.838 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 13' ' ' CYS . . . . . 0.728 ' SG ' ' SG ' ' A' ' 7' ' ' CYS . 76.5 m -85.67 -40.04 16.6 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.592 1.183 . . . . 0.0 108.349 -168.644 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 14' ' ' PHE . . . . . 0.595 ' N ' ' CD ' ' A' ' 15' ' ' PRO . 0.1 OUTLIER -57.82 -44.95 99.8 Favored Pre-proline 0 C--N 1.325 -0.483 0 O-C-N 124.511 1.132 . . . . 0.0 111.042 -161.659 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 15' ' ' PRO . . . . . 0.595 ' CD ' ' N ' ' A' ' 14' ' ' PHE . 18.1 Cg_endo -75.03 -29.61 8.0 Favored 'Trans proline' 0 C--N 1.36 1.148 0 O-C-N 124.406 1.74 . . . . 0.0 110.969 -178.811 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 1.0 OUTLIER -68.08 -35.59 72.21 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.525 0 O-C-N 124.459 1.099 . . . . 0.0 109.248 178.667 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 69.0 m -72.87 -45.54 57.71 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.534 1.146 . . . . 0.0 108.368 179.576 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 14.8 tmtt? -65.15 -35.25 80.5 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.523 1.139 . . . . 0.0 109.29 -175.39 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 43.4 t -79.27 -61.5 1.99 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.585 1.178 . . . . 0.0 110.007 -176.97 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 4.4 tmt_? -83.43 -46.22 12.76 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.484 1.115 . . . . 0.0 110.333 -161.593 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 75.2 m-85 -90.76 -21.6 21.47 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.528 1.142 . . . . 0.0 110.974 -175.922 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 80.47 25.12 57.56 Favored Glycine 0 CA--C 1.531 1.051 0 O-C-N 124.503 1.127 . . . . 0.0 111.033 172.195 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 2.4 mtpt -87.32 174.39 8.59 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.6 0.823 . . . . 0.0 109.276 -177.154 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 1.3 p -74.89 -38.2 61.92 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.522 1.139 . . . . 0.0 110.365 -177.242 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 5.3 t-20 -163.31 166.98 22.45 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.458 1.099 . . . . 0.0 109.336 -173.05 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -147.7 163.77 28.8 Favored Glycine 0 CA--C 1.531 1.071 0 O-C-N 124.514 1.134 . . . . 0.0 111.014 176.612 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 74.5 ttt180 -153.85 145.81 23.58 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.515 0.774 . . . . 0.0 110.267 -177.677 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 12.5 t -83.77 102.01 12.0 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.583 1.177 . . . . 0.0 108.356 -177.308 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 96.0 t -97.97 111.0 26.71 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.493 1.121 . . . . 0.0 109.287 179.549 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 37.5 m-20 58.35 37.25 25.91 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.477 1.11 . . . . 0.0 109.349 170.981 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . 87.27 8.52 74.7 Favored Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.546 1.154 . . . . 0.0 110.96 169.14 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 32' ' ' PHE . . . . . . . . . . . . . 45.7 m-85 -136.65 145.59 44.98 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.546 0.792 . . . . 0.0 110.942 177.366 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 33' ' ' CYS . . . . . . . . . . . . . 94.0 m -72.76 140.07 47.51 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.48 1.113 . . . . 0.0 108.302 -172.577 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 10.5 t70 -132.56 126.62 33.24 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.474 1.109 . . . . 0.0 109.35 172.204 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 35' ' ' CYS . . . . . . . . . . . . . 38.6 m -104.52 144.37 31.77 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.519 1.137 . . . . 0.0 108.302 -174.645 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 36' ' ' PHE . . . . . . . . . . . . . 30.9 p90 . . . . . 0 C--N 1.325 -0.475 0 O-C-N 124.476 1.11 . . . . 0.0 110.998 177.671 . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 1' ' ' ARG . . . . . . . . . . . . . 39.2 ptt180 . . . . . 0 N--CA 1.452 -0.338 0 N-CA-C 110.292 -0.262 . . . . 0.0 110.292 . . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.9 155.19 43.42 Favored 'Trans proline' 0 C--N 1.361 1.192 0 O-C-N 124.554 1.818 . . . . 0.0 111.032 175.106 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 33.7 p -133.06 -165.37 1.6 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.483 1.115 . . . . 0.0 110.389 -174.259 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 8.3 p-10 -97.82 -8.6 28.07 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.494 1.121 . . . . 0.0 109.359 -174.976 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 5' ' ' ILE . . . . . . . . . . . . . 68.2 mt -81.73 117.36 27.59 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.501 1.126 . . . . 0.0 109.297 -168.087 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 55.6 tttm -80.09 145.07 32.61 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.421 1.075 . . . . 0.0 109.237 176.315 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 7' ' ' CYS . . . . . 0.545 ' SG ' ' SG ' ' A' ' 13' ' ' CYS . 8.6 p -152.01 158.4 43.02 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.507 1.129 . . . . 0.0 108.314 -177.261 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 88.1 p -102.37 -21.29 14.31 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.494 1.121 . . . . 0.0 110.059 172.54 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -152.7 161.28 42.77 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.516 1.135 . . . . 0.0 110.242 -168.737 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 66.4 m -80.17 -33.24 38.5 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.525 1.141 . . . . 0.0 109.966 -164.391 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 14.6 p90 -71.15 -11.09 60.75 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.493 1.12 . . . . 0.0 110.996 -177.093 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 76.5 mt-30 -75.77 -29.84 58.93 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.425 1.078 . . . . 0.0 110.278 172.626 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 13' ' ' CYS . . . . . 0.545 ' SG ' ' SG ' ' A' ' 7' ' ' CYS . 83.2 m -85.4 -39.9 17.07 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.517 1.135 . . . . 0.0 108.29 -170.808 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 14' ' ' PHE . . . . . 0.586 ' N ' ' CD ' ' A' ' 15' ' ' PRO . 0.0 OUTLIER -56.2 -46.03 99.84 Favored Pre-proline 0 C--N 1.325 -0.469 0 O-C-N 124.523 1.14 . . . . 0.0 110.996 -161.559 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 15' ' ' PRO . . . . . 0.586 ' CD ' ' N ' ' A' ' 14' ' ' PHE . 18.2 Cg_endo -75.01 -29.9 7.71 Favored 'Trans proline' 0 C--N 1.36 1.166 0 O-C-N 124.534 1.807 . . . . 0.0 111.042 -178.607 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 1.1 t -69.76 -35.65 66.34 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.439 0 O-C-N 124.506 1.128 . . . . 0.0 109.325 -179.221 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 83.1 m -73.5 -37.37 65.72 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.523 1.14 . . . . 0.0 108.292 -177.699 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 37.7 ttpt -70.0 -32.56 70.8 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.445 1.091 . . . . 0.0 109.3 -179.95 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 44.4 t -72.69 -51.25 20.1 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.46 1.1 . . . . 0.0 110.021 179.3 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 68.5 ttt180 -83.65 -59.67 2.36 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.499 1.124 . . . . 0.0 110.291 -166.58 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 46.1 m-85 -94.26 -20.9 19.39 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.377 1.048 . . . . 0.0 111.072 -170.076 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 81.46 24.95 55.58 Favored Glycine 0 CA--C 1.53 0.986 0 O-C-N 124.545 1.153 . . . . 0.0 110.984 -177.436 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 94.3 mttt -91.18 159.72 15.92 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.477 0.751 . . . . 0.0 109.246 -177.5 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 7.4 p -75.0 -41.45 59.47 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.505 1.128 . . . . 0.0 110.39 -166.314 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 4.0 t-20 -159.95 164.95 32.96 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.483 1.114 . . . . 0.0 109.286 -175.832 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -146.37 159.41 27.97 Favored Glycine 0 CA--C 1.53 0.989 0 O-C-N 124.426 1.079 . . . . 0.0 110.995 177.596 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 59.0 ttt85 -129.93 138.69 51.02 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.488 0.758 . . . . 0.0 110.322 -177.957 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 6.2 t -81.74 91.82 6.53 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.482 1.114 . . . . 0.0 108.31 -175.38 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 78.1 t -94.9 118.12 40.28 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.515 0 O-C-N 124.48 1.113 . . . . 0.0 109.313 -178.354 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 34.5 m-20 57.24 33.92 24.01 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.462 1.101 . . . . 0.0 109.268 176.854 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . 82.23 13.58 78.59 Favored Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.545 1.153 . . . . 0.0 111.036 170.583 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 32' ' ' PHE . . . . . . . . . . . . . 25.4 m-85 -140.06 147.82 40.88 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.476 0.75 . . . . 0.0 111.038 177.641 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 33' ' ' CYS . . . . . . . . . . . . . 80.2 m -74.33 137.87 43.12 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.539 1.149 . . . . 0.0 108.28 -166.712 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 51.4 t0 -124.76 111.83 16.0 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.515 1.135 . . . . 0.0 109.345 170.218 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 35' ' ' CYS . . . . . . . . . . . . . 75.9 m -102.49 143.65 31.93 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.421 1.075 . . . . 0.0 108.33 -165.634 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 36' ' ' PHE . . . . . . . . . . . . . 16.5 p90 . . . . . 0 C--N 1.324 -0.509 0 O-C-N 124.51 1.131 . . . . 0.0 110.976 -178.857 . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' 1' ' ' ARG . . . . . . . . . . . . . 13.4 ptp180 . . . . . 0 N--CA 1.453 -0.29 0 N-CA-C 110.344 -0.243 . . . . 0.0 110.344 . . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.03 144.46 30.19 Favored 'Trans proline' 0 C--N 1.36 1.178 0 O-C-N 124.539 1.81 . . . . 0.0 110.994 165.336 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 52.3 p -126.98 -159.58 0.94 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.496 1.123 . . . . 0.0 110.393 -177.852 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 19.2 p-10 -127.37 20.04 6.81 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.553 1.158 . . . . 0.0 109.314 170.491 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 5' ' ' ILE . . . . . . . . . . . . . 57.8 mt -74.48 113.34 12.84 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.478 1.111 . . . . 0.0 109.33 177.074 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 84.5 tttt -75.12 144.44 42.84 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.425 1.078 . . . . 0.0 109.267 -170.004 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 7' ' ' CYS . . . . . 0.505 ' SG ' ' SG ' ' A' ' 13' ' ' CYS . 6.3 p -154.99 156.19 35.55 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.522 1.139 . . . . 0.0 108.303 -178.066 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 91.1 p -98.37 -26.43 14.49 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.464 1.102 . . . . 0.0 110.092 171.228 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 3.5 mm-40 -149.88 161.01 43.11 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.503 1.127 . . . . 0.0 110.31 -164.844 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 37.5 m -80.0 -33.64 39.15 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.52 1.137 . . . . 0.0 109.978 -163.437 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 16.1 p90 -70.53 -10.89 60.36 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.519 1.137 . . . . 0.0 110.944 -176.423 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 75.0 mt-30 -75.01 -33.6 61.83 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.512 1.132 . . . . 0.0 110.281 173.245 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 13' ' ' CYS . . . . . 0.505 ' SG ' ' SG ' ' A' ' 7' ' ' CYS . 84.8 m -85.71 -35.42 20.85 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.449 1.093 . . . . 0.0 108.268 -169.939 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 14' ' ' PHE . . . . . 0.587 ' N ' ' CD ' ' A' ' 15' ' ' PRO . 0.1 OUTLIER -58.25 -44.82 99.58 Favored Pre-proline 0 C--N 1.324 -0.513 0 O-C-N 124.563 1.165 . . . . 0.0 111.009 -162.225 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 15' ' ' PRO . . . . . 0.587 ' CD ' ' N ' ' A' ' 14' ' ' PHE . 18.4 Cg_endo -75.05 -34.07 4.06 Favored 'Trans proline' 0 C--N 1.36 1.14 0 O-C-N 124.483 1.781 . . . . 0.0 111.011 179.298 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 0.9 OUTLIER -58.92 -39.81 78.74 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.554 1.159 . . . . 0.0 109.335 176.017 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 93.5 m -75.23 -41.01 58.52 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.535 1.147 . . . . 0.0 108.361 -174.274 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 28.2 ttpp -66.61 -31.87 72.85 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.493 1.121 . . . . 0.0 109.225 -178.196 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 44.4 t -76.22 -50.05 15.5 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.415 1.072 . . . . 0.0 109.953 179.567 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 49.5 tpt85 -79.2 -58.37 3.26 Favored 'General case' 0 C--N 1.324 -0.533 0 O-C-N 124.536 1.148 . . . . 0.0 110.285 -167.557 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 68.4 m-85 -99.76 -19.99 16.46 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.408 1.067 . . . . 0.0 110.961 -168.667 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 78.11 27.86 57.3 Favored Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.521 1.138 . . . . 0.0 110.977 -177.513 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 25.0 mmtt -81.47 170.76 15.54 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.52 0.776 . . . . 0.0 109.346 -179.218 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 8.2 p -87.12 -31.1 20.6 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.495 1.122 . . . . 0.0 110.429 -169.485 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 55.2 t30 -164.48 157.72 17.54 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.518 1.136 . . . . 0.0 109.287 -179.138 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -142.65 147.48 18.94 Favored Glycine 0 CA--C 1.53 1.023 0 O-C-N 124.487 1.117 . . . . 0.0 111.028 177.726 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 99.7 mtt180 -135.21 153.47 51.93 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.571 0.807 . . . . 0.0 110.282 -177.092 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 9.0 t -90.59 97.03 10.94 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.441 1.088 . . . . 0.0 108.274 -172.491 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 97.9 t -95.05 113.21 28.97 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 O-C-N 124.532 1.145 . . . . 0.0 109.282 -178.433 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 33.1 m-20 58.1 35.71 25.35 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.487 1.117 . . . . 0.0 109.306 174.411 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . 84.35 10.04 80.72 Favored Glycine 0 CA--C 1.53 0.98 0 O-C-N 124.469 1.106 . . . . 0.0 111.026 170.742 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 32' ' ' PHE . . . . . . . . . . . . . 73.3 m-85 -138.44 145.17 40.59 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.428 0.722 . . . . 0.0 110.998 178.557 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 33' ' ' CYS . . . . . . . . . . . . . 82.4 m -70.93 142.9 51.08 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.455 1.097 . . . . 0.0 108.3 -169.727 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 61.4 t0 -136.62 127.17 26.91 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.519 1.137 . . . . 0.0 109.307 168.142 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 35' ' ' CYS . . . . . . . . . . . . . 33.9 m -109.71 145.6 36.3 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.498 1.124 . . . . 0.0 108.299 -167.869 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 36' ' ' PHE . . . . . . . . . . . . . 42.6 p90 . . . . . 0 C--N 1.325 -0.482 0 O-C-N 124.504 1.128 . . . . 0.0 111.016 -179.997 . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' 1' ' ' ARG . . . . . . . . . . . . . 6.1 ptm180 . . . . . 0 N--CA 1.453 -0.307 0 N-CA-C 110.337 -0.246 . . . . 0.0 110.337 . . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 18.7 Cg_endo -74.92 164.99 32.32 Favored 'Trans proline' 0 C--N 1.36 1.14 0 O-C-N 124.529 1.805 . . . . 0.0 111.058 171.85 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 13.2 p -132.59 -163.49 1.35 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.511 1.132 . . . . 0.0 110.46 171.764 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 16.0 p-10 -114.25 4.2 15.39 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.459 1.099 . . . . 0.0 109.329 -179.094 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 5' ' ' ILE . . . . . . . . . . . . . 85.5 mt -79.84 119.6 29.58 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.473 1.108 . . . . 0.0 109.309 -173.977 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 17.2 tptm -78.65 139.15 38.56 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.455 1.097 . . . . 0.0 109.322 -176.741 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 7' ' ' CYS . . . . . 0.617 ' SG ' ' SG ' ' A' ' 13' ' ' CYS . 8.1 p -151.9 158.17 42.83 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.52 1.138 . . . . 0.0 108.28 -178.796 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 90.6 p -95.23 -31.03 13.68 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.555 1.159 . . . . 0.0 110.038 167.765 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 23.9 mt-10 -149.08 159.94 43.78 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.451 1.095 . . . . 0.0 110.253 -156.261 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 73.6 m -78.3 -32.96 49.6 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.491 1.119 . . . . 0.0 109.985 -161.926 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 13.4 p90 -70.98 -14.03 62.21 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.532 1.145 . . . . 0.0 111.089 -175.387 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 52.8 mt-30 -72.37 -35.92 68.6 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.477 1.111 . . . . 0.0 110.338 172.415 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 13' ' ' CYS . . . . . 0.617 ' SG ' ' SG ' ' A' ' 7' ' ' CYS . 83.9 m -85.69 -40.0 16.62 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.427 1.079 . . . . 0.0 108.296 -166.909 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 14' ' ' PHE . . . . . 0.584 ' N ' ' CD ' ' A' ' 15' ' ' PRO . 0.1 OUTLIER -58.46 -44.89 99.6 Favored Pre-proline 0 C--N 1.324 -0.521 0 O-C-N 124.552 1.158 . . . . 0.0 110.998 -161.022 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 15' ' ' PRO . . . . . 0.584 ' CD ' ' N ' ' A' ' 14' ' ' PHE . 18.2 Cg_endo -75.02 -30.32 7.26 Favored 'Trans proline' 0 C--N 1.361 1.207 0 O-C-N 124.47 1.774 . . . . 0.0 111.035 179.834 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 1.1 t -68.03 -35.96 73.71 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.515 1.135 . . . . 0.0 109.284 -179.514 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 69.6 m -73.79 -39.7 63.94 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.484 1.115 . . . . 0.0 108.313 -176.366 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 64.7 tttm -69.89 -34.06 73.04 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.548 1.155 . . . . 0.0 109.348 -178.055 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 47.2 t -73.57 -49.38 26.62 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.484 1.115 . . . . 0.0 109.979 179.88 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 1.2 tpm_? -80.84 -61.8 1.86 Allowed 'General case' 0 C--N 1.326 -0.432 0 O-C-N 124.439 1.087 . . . . 0.0 110.26 -167.547 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 79.5 m-85 -99.15 -9.18 24.1 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.471 1.107 . . . . 0.0 110.953 -167.021 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 73.67 25.68 71.53 Favored Glycine 0 CA--C 1.53 1.017 0 O-C-N 124.495 1.122 . . . . 0.0 110.979 177.635 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 24.6 mmtt -81.15 162.63 23.57 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.509 0.77 . . . . 0.0 109.314 -178.458 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 6.1 p -74.99 -36.02 62.02 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.474 1.109 . . . . 0.0 110.409 -172.467 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 10.4 t-20 -162.14 164.16 28.08 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.541 1.151 . . . . 0.0 109.268 -177.923 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -150.01 160.1 28.38 Favored Glycine 0 CA--C 1.531 1.036 0 O-C-N 124.429 1.081 . . . . 0.0 111.015 177.287 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 16.7 ptp180 -153.37 160.36 42.63 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.455 0.738 . . . . 0.0 110.345 -179.539 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 5.9 t -92.26 109.67 21.05 Favored 'General case' 0 C--N 1.324 -0.534 0 O-C-N 124.563 1.165 . . . . 0.0 108.258 -169.674 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 95.8 t -104.63 111.35 33.81 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.454 1.096 . . . . 0.0 109.326 178.414 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 36.9 m-20 58.13 36.32 25.78 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.482 1.114 . . . . 0.0 109.257 171.746 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . 91.32 0.13 74.0 Favored Glycine 0 CA--C 1.53 0.991 0 O-C-N 124.462 1.101 . . . . 0.0 111.001 168.572 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 32' ' ' PHE . . . . . . . . . . . . . 52.9 m-85 -133.05 143.63 49.5 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.48 0.753 . . . . 0.0 111.01 179.904 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 33' ' ' CYS . . . . . 0.426 ' SG ' ' SG ' ' A' ' 7' ' ' CYS . 87.4 m -71.68 144.02 49.5 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.447 1.092 . . . . 0.0 108.29 -168.884 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 13.2 t70 -131.51 120.17 22.57 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.491 1.12 . . . . 0.0 109.333 173.405 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 35' ' ' CYS . . . . . . . . . . . . . 40.0 m -105.24 141.79 36.16 Favored 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.504 1.128 . . . . 0.0 108.343 -170.425 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 36' ' ' PHE . . . . . . . . . . . . . 45.3 p90 . . . . . 0 C--N 1.323 -0.553 0 O-C-N 124.469 1.105 . . . . 0.0 111.017 178.437 . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' 1' ' ' ARG . . . . . . . . . . . . . 18.9 mmm180 . . . . . 0 N--CA 1.454 -0.26 0 N-CA-C 110.366 -0.235 . . . . 0.0 110.366 . . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.03 155.74 42.79 Favored 'Trans proline' 0 C--N 1.359 1.127 0 O-C-N 124.495 1.787 . . . . 0.0 111.005 -178.353 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 10.7 p -129.39 -159.61 0.97 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.471 1.107 . . . . 0.0 110.432 172.862 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 7.1 p-10 -127.37 20.06 6.8 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.486 1.116 . . . . 0.0 109.312 175.608 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 5' ' ' ILE . . . . . . . . . . . . . 76.5 mt -80.87 113.32 20.12 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.471 1.107 . . . . 0.0 109.257 176.661 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 63.4 tttm -72.38 144.22 48.3 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.481 1.113 . . . . 0.0 109.321 -172.956 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 7' ' ' CYS . . . . . 0.53 ' SG ' ' SG ' ' A' ' 13' ' ' CYS . 6.3 p -155.79 154.95 32.17 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.489 1.118 . . . . 0.0 108.296 -178.519 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 63.8 p -96.14 -29.02 14.3 Favored 'General case' 0 C--N 1.324 -0.531 0 O-C-N 124.586 1.179 . . . . 0.0 110.018 170.654 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 48.3 mm-40 -149.4 162.56 39.85 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.466 1.104 . . . . 0.0 110.324 -165.133 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 42.4 m -80.14 -33.27 38.66 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.499 1.124 . . . . 0.0 109.984 -163.711 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 17.7 p90 -70.34 -11.75 61.12 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.435 1.085 . . . . 0.0 111.01 -177.073 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 85.8 mt-30 -76.41 -31.87 58.19 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.53 1.144 . . . . 0.0 110.3 173.827 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 13' ' ' CYS . . . . . 0.53 ' SG ' ' SG ' ' A' ' 7' ' ' CYS . 73.1 m -85.38 -40.07 16.89 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.536 1.147 . . . . 0.0 108.279 -170.296 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 14' ' ' PHE . . . . . 0.588 ' N ' ' CD ' ' A' ' 15' ' ' PRO . 0.1 OUTLIER -58.27 -44.91 99.66 Favored Pre-proline 0 C--N 1.326 -0.441 0 O-C-N 124.485 1.115 . . . . 0.0 111.026 -160.71 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 15' ' ' PRO . . . . . 0.588 ' CD ' ' N ' ' A' ' 14' ' ' PHE . 18.5 Cg_endo -74.93 -29.94 7.82 Favored 'Trans proline' 0 C--N 1.36 1.156 0 O-C-N 124.439 1.758 . . . . 0.0 111.019 -179.56 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 1.0 OUTLIER -68.41 -36.36 74.54 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.432 1.082 . . . . 0.0 109.335 179.718 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 93.6 m -75.16 -39.82 60.05 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.449 1.093 . . . . 0.0 108.331 -177.539 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 28.2 ttpp -67.05 -34.24 77.26 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.542 1.151 . . . . 0.0 109.233 -179.089 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 47.1 t -74.14 -50.15 20.68 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.551 1.157 . . . . 0.0 109.994 179.826 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 26.6 tpt180 -79.67 -60.36 2.38 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.51 1.131 . . . . 0.0 110.308 -168.35 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 45.7 m-85 -96.79 -21.2 17.68 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.482 1.114 . . . . 0.0 111.027 -168.109 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 79.19 29.16 51.52 Favored Glycine 0 CA--C 1.529 0.939 0 O-C-N 124.579 1.175 . . . . 0.0 111.012 -178.635 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 8.7 mmtp -80.14 164.2 23.51 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.511 0.771 . . . . 0.0 109.324 179.994 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 6.6 p -75.73 -38.55 58.42 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.493 1.12 . . . . 0.0 110.399 -175.247 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 60.4 t30 -157.57 159.57 37.25 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.483 1.115 . . . . 0.0 109.247 -178.224 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -148.11 146.67 16.55 Favored Glycine 0 CA--C 1.531 1.045 0 O-C-N 124.497 1.123 . . . . 0.0 110.995 174.461 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 94.3 mtt-85 -139.67 156.03 47.06 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.578 0.811 . . . . 0.0 110.224 -175.439 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 8.4 t -89.67 102.95 15.64 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.536 1.147 . . . . 0.0 108.286 -169.674 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 98.2 t -97.64 109.97 24.5 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.485 1.116 . . . . 0.0 109.315 179.313 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 34.4 m-20 58.47 36.61 25.42 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.484 1.115 . . . . 0.0 109.287 172.094 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . 88.39 5.95 74.88 Favored Glycine 0 CA--C 1.53 1.018 0 O-C-N 124.597 1.186 . . . . 0.0 110.997 169.557 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 32' ' ' PHE . . . . . . . . . . . . . 79.8 m-85 -138.33 143.64 40.0 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.5 0.765 . . . . 0.0 110.984 178.312 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 33' ' ' CYS . . . . . . . . . . . . . 74.3 m -70.45 144.98 51.29 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.572 1.17 . . . . 0.0 108.273 -168.38 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 10.8 t0 -129.02 121.72 28.51 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.455 1.097 . . . . 0.0 109.338 167.924 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 35' ' ' CYS . . . . . . . . . . . . . 61.7 m -111.55 126.04 54.56 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.452 1.095 . . . . 0.0 108.307 -167.713 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 36' ' ' PHE . . . . . . . . . . . . . 45.8 p90 . . . . . 0 C--N 1.324 -0.507 0 O-C-N 124.53 1.144 . . . . 0.0 110.987 -172.783 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo . . . . . 0 N--CA 1.454 -0.841 0 N-CA-C 110.926 -0.452 . . . . 0.0 110.926 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 46.0 p -127.12 -161.28 1.06 Allowed 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.57 1.169 . . . . 0.0 110.393 -179.772 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 41.9 p-10 -118.41 11.23 12.95 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.511 1.132 . . . . 0.0 109.307 173.808 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 5' ' ' ILE . . . . . . . . . . . . . 50.8 mt -74.71 112.47 12.03 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.443 0 O-C-N 124.519 1.137 . . . . 0.0 109.284 178.809 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 38.3 ttpt -73.22 145.41 46.24 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.422 1.076 . . . . 0.0 109.28 -172.556 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 7' ' ' CYS . . . . . 0.551 ' SG ' ' SG ' ' A' ' 13' ' ' CYS . 11.2 p -153.13 154.22 34.35 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.499 1.124 . . . . 0.0 108.255 179.328 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 7.9 p -100.48 -23.7 14.66 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.581 1.175 . . . . 0.0 110.038 173.252 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 4.3 mp0 -149.55 163.7 37.12 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.561 1.163 . . . . 0.0 110.282 -173.005 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 19.8 m -80.06 -33.12 39.25 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.502 1.126 . . . . 0.0 110.013 -165.502 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 16.5 p90 -72.1 -9.72 58.8 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.443 1.089 . . . . 0.0 111.013 -177.174 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 70.5 mt-30 -78.04 -28.83 49.06 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.532 1.145 . . . . 0.0 110.291 173.189 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 13' ' ' CYS . . . . . 0.551 ' SG ' ' SG ' ' A' ' 7' ' ' CYS . 74.6 m -85.48 -38.97 18.0 Favored 'General case' 0 C--N 1.326 -0.432 0 O-C-N 124.469 1.105 . . . . 0.0 108.292 -172.494 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 14' ' ' PHE . . . . . 0.591 ' N ' ' CD ' ' A' ' 15' ' ' PRO . 0.1 OUTLIER -55.99 -46.19 99.8 Favored Pre-proline 0 C--N 1.325 -0.495 0 O-C-N 124.454 1.097 . . . . 0.0 110.929 -162.103 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 15' ' ' PRO . . . . . 0.591 ' CD ' ' N ' ' A' ' 14' ' ' PHE . 18.5 Cg_endo -74.97 -29.69 8.01 Favored 'Trans proline' 0 C--N 1.359 1.119 0 O-C-N 124.561 1.822 . . . . 0.0 111.109 -177.543 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 1.1 t -68.66 -36.58 75.1 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 O-C-N 124.485 1.115 . . . . 0.0 109.3 178.72 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 93.1 m -75.0 -41.15 60.03 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.452 1.095 . . . . 0.0 108.299 -177.467 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 14.8 tmtt? -65.55 -36.3 83.38 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.484 1.115 . . . . 0.0 109.302 -179.35 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 42.6 t -72.06 -51.5 21.33 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.499 1.124 . . . . 0.0 110.008 -179.447 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 9.2 tpm_? -79.89 -57.9 3.43 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.541 1.15 . . . . 0.0 110.243 -166.924 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 40.3 m-85 -97.91 -20.88 17.19 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.386 1.054 . . . . 0.0 111.017 -167.838 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 80.62 27.27 51.75 Favored Glycine 0 CA--C 1.529 0.932 0 O-C-N 124.458 1.099 . . . . 0.0 111.027 -178.45 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 25.2 mmtt -80.41 172.49 13.69 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.474 0.749 . . . . 0.0 109.341 179.669 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 7.4 p -89.72 -31.95 17.22 Favored 'General case' 0 C--N 1.324 -0.536 0 O-C-N 124.545 1.153 . . . . 0.0 110.326 -170.447 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 38.4 t-20 -163.51 160.41 23.17 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.477 1.11 . . . . 0.0 109.296 -176.32 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -139.28 158.15 25.26 Favored Glycine 0 CA--C 1.529 0.96 0 O-C-N 124.474 1.109 . . . . 0.0 111.062 178.049 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 19.1 ptt180 -151.79 142.71 23.02 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.518 0.775 . . . . 0.0 110.282 -175.644 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 3.9 t -88.04 104.37 16.59 Favored 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.485 1.116 . . . . 0.0 108.324 -168.935 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 91.7 t -99.73 112.57 32.49 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.503 1.127 . . . . 0.0 109.33 177.527 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 34.7 m-20 58.1 35.11 24.87 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.576 1.173 . . . . 0.0 109.273 173.21 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . 83.77 12.13 78.1 Favored Glycine 0 CA--C 1.531 1.043 0 O-C-N 124.446 1.091 . . . . 0.0 110.942 171.012 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 32' ' ' PHE . . . . . . . . . . . . . 73.2 m-85 -137.35 145.57 43.5 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.531 0.783 . . . . 0.0 111.009 177.525 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 33' ' ' CYS . . . . . . . . . . . . . 84.0 m -71.33 139.39 49.87 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.478 1.111 . . . . 0.0 108.255 -167.472 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 27.1 t70 -124.95 119.28 28.29 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.497 1.123 . . . . 0.0 109.345 167.981 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 35' ' ' CYS . . . . . . . . . . . . . 56.6 m -105.04 140.69 37.85 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.527 1.142 . . . . 0.0 108.313 -171.085 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 36' ' ' PHE . . . . . . . . . . . . . 32.5 p90 . . . . . 0 C--N 1.325 -0.475 0 O-C-N 124.547 1.154 . . . . 0.0 111.033 -178.75 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo . . . . . 0 N--CA 1.453 -0.872 0 N-CA-C 111.037 -0.409 . . . . 0.0 111.037 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 32.0 p -126.95 -164.54 1.36 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.523 1.14 . . . . 0.0 110.413 174.803 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 38.1 p-10 -110.44 6.19 21.97 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.381 1.051 . . . . 0.0 109.28 -174.725 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 5' ' ' ILE . . . . . . . . . . . . . 80.1 mt -81.03 110.98 17.1 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.524 1.14 . . . . 0.0 109.306 -178.284 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 58.1 pttt -69.79 153.75 42.91 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.449 1.093 . . . . 0.0 109.279 -179.022 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 7.6 p -161.99 156.06 21.77 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.517 1.136 . . . . 0.0 108.295 -178.317 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 93.3 p -96.35 -29.28 14.06 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.507 1.13 . . . . 0.0 109.969 169.671 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 38.6 mm-40 -149.57 162.11 40.83 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.531 1.145 . . . . 0.0 110.285 -165.134 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 51.8 m -80.2 -32.62 38.58 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.491 1.119 . . . . 0.0 110.011 -163.838 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 16.0 p90 -71.08 -11.54 61.01 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.508 1.13 . . . . 0.0 110.993 -177.004 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 78.0 mt-30 -75.74 -30.37 59.18 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.519 1.137 . . . . 0.0 110.292 173.062 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 81.0 m -85.4 -40.07 16.88 Favored 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.507 1.129 . . . . 0.0 108.261 -170.182 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 14' ' ' PHE . . . . . 0.591 ' N ' ' CD ' ' A' ' 15' ' ' PRO . 0.1 OUTLIER -56.71 -45.64 99.92 Favored Pre-proline 0 C--N 1.325 -0.496 0 O-C-N 124.554 1.159 . . . . 0.0 110.994 -161.809 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 15' ' ' PRO . . . . . 0.591 ' CD ' ' N ' ' A' ' 14' ' ' PHE . 18.1 Cg_endo -75.0 -29.79 7.85 Favored 'Trans proline' 0 C--N 1.36 1.171 0 O-C-N 124.529 1.805 . . . . 0.0 110.962 -178.678 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 1.1 t -68.66 -36.03 72.66 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.515 0 O-C-N 124.531 1.144 . . . . 0.0 109.271 179.647 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 73.7 m -75.0 -38.14 61.68 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.531 1.144 . . . . 0.0 108.265 -176.502 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 14.8 tmtt? -67.75 -37.75 82.56 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.452 1.095 . . . . 0.0 109.28 179.34 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 44.1 t -71.61 -48.48 47.77 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.537 1.148 . . . . 0.0 109.994 -178.533 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 25.9 tpt180 -82.5 -59.78 2.41 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.529 1.143 . . . . 0.0 110.298 -167.743 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 35.0 m-85 -96.96 -20.49 18.06 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.524 1.14 . . . . 0.0 111.047 -168.015 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 80.61 23.97 59.34 Favored Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.499 1.124 . . . . 0.0 111.037 -176.488 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 94.6 mttt -87.99 157.51 18.9 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.492 0.76 . . . . 0.0 109.347 -178.679 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 8.1 p -74.84 -38.56 61.96 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.532 1.145 . . . . 0.0 110.436 -164.877 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 7.3 t-20 -160.44 164.09 32.54 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.446 1.091 . . . . 0.0 109.255 -178.98 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -151.55 150.9 22.89 Favored Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.471 1.107 . . . . 0.0 110.944 175.547 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 87.1 mtm180 -130.35 151.65 50.62 Favored 'General case' 0 C--N 1.326 -0.429 0 O-C-N 124.47 0.747 . . . . 0.0 110.317 -176.742 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 8.2 t -86.98 97.61 10.81 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.507 1.129 . . . . 0.0 108.316 -171.217 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 92.4 t -95.06 112.43 27.49 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.527 0 O-C-N 124.547 1.154 . . . . 0.0 109.274 -179.998 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 35.7 m-20 57.97 36.85 26.52 Favored 'General case' 0 C--N 1.323 -0.545 0 O-C-N 124.503 1.127 . . . . 0.0 109.23 172.966 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . 84.11 11.65 78.2 Favored Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.447 1.092 . . . . 0.0 110.998 170.221 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 32' ' ' PHE . . . . . . . . . . . . . 47.8 m-85 -140.09 144.78 36.97 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.535 0.786 . . . . 0.0 110.975 177.026 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 33' ' ' CYS . . . . . . . . . . . . . 84.3 m -70.96 143.52 50.83 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.45 1.093 . . . . 0.0 108.332 -169.323 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 10.0 t0 -129.11 111.14 12.63 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.5 1.125 . . . . 0.0 109.291 171.144 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 35' ' ' CYS . . . . . . . . . . . . . 74.5 m -105.39 141.86 36.16 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.53 1.144 . . . . 0.0 108.335 -165.16 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 36' ' ' PHE . . . . . . . . . . . . . 29.5 p90 . . . . . 0 C--N 1.324 -0.502 0 O-C-N 124.476 1.11 . . . . 0.0 111.005 -178.914 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo . . . . . 0 N--CA 1.453 -0.906 0 N-CA-C 111.001 -0.423 . . . . 0.0 111.001 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 30.5 p -125.6 -164.29 1.29 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.457 1.098 . . . . 0.0 110.357 175.801 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 5.7 p-10 -101.53 -8.54 21.82 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.486 1.116 . . . . 0.0 109.311 -174.348 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 5' ' ' ILE . . . . . . . . . . . . . 77.6 mt -77.85 113.72 17.43 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.442 0 O-C-N 124.417 1.073 . . . . 0.0 109.312 -171.503 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -72.17 157.0 38.56 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.498 1.124 . . . . 0.0 109.316 179.059 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 7' ' ' CYS . . . . . 0.565 ' SG ' ' SG ' ' A' ' 13' ' ' CYS . 3.8 p -161.44 154.87 21.45 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.415 1.072 . . . . 0.0 108.346 -177.649 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 97.0 p -102.92 -20.69 14.15 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.498 1.124 . . . . 0.0 110.012 175.076 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 1.4 mp0 -149.51 159.72 44.07 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.456 1.097 . . . . 0.0 110.363 -169.607 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 58.0 m -79.2 -35.93 40.96 Favored 'General case' 0 C--N 1.324 -0.532 0 O-C-N 124.437 1.086 . . . . 0.0 109.959 -165.054 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 14.9 p90 -75.47 -2.18 27.6 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.498 1.124 . . . . 0.0 111.06 -175.867 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 79.3 mt-30 -76.12 -35.94 59.06 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.546 1.154 . . . . 0.0 110.296 168.099 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 13' ' ' CYS . . . . . 0.565 ' SG ' ' SG ' ' A' ' 7' ' ' CYS . 63.9 m -85.9 -35.14 20.72 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.553 1.158 . . . . 0.0 108.251 -169.441 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 14' ' ' PHE . . . . . 0.594 ' N ' ' CD ' ' A' ' 15' ' ' PRO . 0.1 OUTLIER -59.29 -43.84 97.3 Favored Pre-proline 0 C--N 1.325 -0.483 0 O-C-N 124.445 1.09 . . . . 0.0 111.024 -162.379 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 15' ' ' PRO . . . . . 0.594 ' CD ' ' N ' ' A' ' 14' ' ' PHE . 18.1 Cg_endo -75.12 -35.65 2.94 Favored 'Trans proline' 0 C--N 1.36 1.169 0 O-C-N 124.451 1.764 . . . . 0.0 110.914 178.331 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 0.9 OUTLIER -56.63 -41.07 72.96 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.465 1.103 . . . . 0.0 109.359 176.729 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 98.8 m -75.2 -46.46 33.9 Favored 'General case' 0 C--N 1.326 -0.426 0 O-C-N 124.487 1.117 . . . . 0.0 108.235 -174.543 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 66.4 tttm -63.56 -36.21 83.02 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.481 1.113 . . . . 0.0 109.288 -174.271 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 67.3 m -81.1 -62.08 1.77 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.602 1.189 . . . . 0.0 109.973 -176.647 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 41.1 ttp85 -85.12 -40.03 17.23 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.499 1.124 . . . . 0.0 110.257 -159.073 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 62.2 m-85 -91.6 -26.27 18.79 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.41 1.069 . . . . 0.0 110.962 -178.773 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 82.78 34.34 22.17 Favored Glycine 0 CA--C 1.531 1.043 0 O-C-N 124.515 1.135 . . . . 0.0 110.973 177.957 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 4.7 tptp -95.11 -174.05 3.12 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.523 0.778 . . . . 0.0 109.33 -177.011 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 5.7 p -98.62 -32.94 11.17 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.524 1.14 . . . . 0.0 110.39 -175.37 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 55.6 t30 -163.57 157.94 20.11 Favored 'General case' 0 C--N 1.324 -0.535 0 O-C-N 124.558 1.161 . . . . 0.0 109.344 -177.656 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -147.23 147.75 18.79 Favored Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.517 1.136 . . . . 0.0 111.037 178.99 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 67.2 mtp85 -143.06 159.91 41.37 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.494 0.761 . . . . 0.0 110.182 -179.592 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 8.2 t -92.19 101.42 13.93 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.453 1.096 . . . . 0.0 108.229 -172.252 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 96.7 t -96.01 111.58 26.57 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.436 1.085 . . . . 0.0 109.348 179.451 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 35.0 m-20 58.13 37.04 26.34 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.515 1.135 . . . . 0.0 109.307 172.772 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . 85.17 10.31 78.32 Favored Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.414 1.071 . . . . 0.0 111.004 169.873 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 32' ' ' PHE . . . . . . . . . . . . . 51.3 m-85 -140.05 145.49 37.78 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.457 0.739 . . . . 0.0 111.022 177.496 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 33' ' ' CYS . . . . . . . . . . . . . 85.0 m -71.97 145.29 48.49 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.462 1.101 . . . . 0.0 108.236 -168.388 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 11.2 t0 -134.0 123.17 24.12 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.482 1.113 . . . . 0.0 109.284 172.875 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 35' ' ' CYS . . . . . . . . . . . . . 63.7 m -105.34 134.82 47.81 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.507 1.129 . . . . 0.0 108.272 -172.476 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 36' ' ' PHE . . . . . . . . . . . . . 45.6 p90 . . . . . 0 C--N 1.325 -0.47 0 O-C-N 124.483 1.114 . . . . 0.0 110.998 179.748 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo . . . . . 0 N--CA 1.452 -0.919 0 N-CA-C 111.004 -0.421 . . . . 0.0 111.004 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 23.8 p -132.87 -164.19 1.44 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.527 1.142 . . . . 0.0 110.435 177.588 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 5.8 p-10 -107.27 -0.1 22.8 Favored 'General case' 0 C--N 1.324 -0.54 0 O-C-N 124.516 1.135 . . . . 0.0 109.299 -176.097 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 5' ' ' ILE . . . . . . . . . . . . . 77.0 mt -80.86 117.99 27.84 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.524 1.14 . . . . 0.0 109.247 -173.615 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 98.9 mttt -75.59 149.81 38.19 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.422 1.076 . . . . 0.0 109.273 -178.832 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 7' ' ' CYS . . . . . 0.491 ' SG ' ' SG ' ' A' ' 13' ' ' CYS . 6.7 p -158.75 157.23 31.29 Favored 'General case' 0 C--N 1.326 -0.43 0 O-C-N 124.524 1.14 . . . . 0.0 108.285 179.773 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 93.8 p -98.45 -27.89 13.86 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.512 1.133 . . . . 0.0 109.977 169.403 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 61.5 mm-40 -149.21 161.16 42.56 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.508 1.13 . . . . 0.0 110.269 -164.223 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 37.5 m -80.06 -32.4 39.35 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.525 1.14 . . . . 0.0 110.03 -162.94 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 17.3 p90 -70.6 -12.11 61.36 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.466 1.104 . . . . 0.0 111.031 -176.673 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 72.9 mt-30 -74.61 -32.81 62.45 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.493 1.121 . . . . 0.0 110.34 173.159 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 13' ' ' CYS . . . . . 0.491 ' SG ' ' SG ' ' A' ' 7' ' ' CYS . 84.1 m -85.57 -39.16 17.67 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.558 1.162 . . . . 0.0 108.318 -168.588 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 14' ' ' PHE . . . . . 0.596 ' N ' ' CD ' ' A' ' 15' ' ' PRO . 0.1 OUTLIER -57.68 -45.22 99.85 Favored Pre-proline 0 C--N 1.325 -0.5 0 O-C-N 124.509 1.13 . . . . 0.0 111.007 -162.01 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 15' ' ' PRO . . . . . 0.596 ' CD ' ' N ' ' A' ' 14' ' ' PHE . 18.3 Cg_endo -75.0 -29.91 7.72 Favored 'Trans proline' 0 C--N 1.359 1.127 0 O-C-N 124.449 1.762 . . . . 0.0 111.003 -179.158 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 1.1 t -69.01 -36.35 73.45 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.569 1.168 . . . . 0.0 109.288 -179.205 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 91.6 m -74.94 -37.81 61.9 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.502 1.126 . . . . 0.0 108.245 -177.484 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 28.4 ttpp -70.05 -34.43 73.21 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.449 1.093 . . . . 0.0 109.282 -178.834 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 43.6 t -74.79 -52.6 11.04 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.507 1.13 . . . . 0.0 110.026 -178.633 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 40.2 ttm180 -82.78 -57.6 3.24 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.556 1.16 . . . . 0.0 110.333 -164.901 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 34.8 m-85 -95.69 -21.0 18.47 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.456 1.098 . . . . 0.0 110.971 -170.707 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 78.96 35.98 29.5 Favored Glycine 0 CA--C 1.531 1.041 0 O-C-N 124.486 1.116 . . . . 0.0 110.962 -177.951 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 9.8 mptt -91.65 158.25 16.51 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.506 0.768 . . . . 0.0 109.322 178.893 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 6.9 p -75.02 -35.52 61.96 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.532 1.145 . . . . 0.0 110.371 -169.301 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 7.4 t-20 -159.62 164.65 33.95 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.578 1.174 . . . . 0.0 109.296 179.307 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -152.23 147.28 16.83 Favored Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.479 1.112 . . . . 0.0 110.985 176.683 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 72.5 mtp85 -138.5 153.06 48.77 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.507 0.769 . . . . 0.0 110.323 -175.826 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 7.9 t -88.66 103.12 15.64 Favored 'General case' 0 C--N 1.324 -0.53 0 O-C-N 124.531 1.145 . . . . 0.0 108.34 -169.148 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 98.0 t -98.98 110.37 26.14 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.506 1.129 . . . . 0.0 109.295 178.669 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 36.2 m-20 58.47 37.45 25.63 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.546 1.154 . . . . 0.0 109.343 170.997 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . 86.84 8.35 76.42 Favored Glycine 0 CA--C 1.53 1.031 0 O-C-N 124.435 1.085 . . . . 0.0 110.962 169.275 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 32' ' ' PHE . . . . . . . . . . . . . 46.8 m-85 -136.28 144.95 45.04 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.533 0.784 . . . . 0.0 110.969 176.698 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 33' ' ' CYS . . . . . . . . . . . . . 87.9 m -71.88 140.26 49.2 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.47 1.106 . . . . 0.0 108.29 -172.318 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 10.4 t70 -124.79 116.05 21.67 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.5 1.125 . . . . 0.0 109.304 171.488 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 35' ' ' CYS . . . . . . . . . . . . . 86.2 m -103.95 137.26 42.19 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.529 1.143 . . . . 0.0 108.376 -169.521 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 36' ' ' PHE . . . . . . . . . . . . . 44.4 p90 . . . . . 0 C--N 1.324 -0.503 0 O-C-N 124.447 1.092 . . . . 0.0 111.025 -179.562 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo . . . . . 0 N--CA 1.452 -0.933 0 N-CA-C 111.011 -0.419 . . . . 0.0 111.011 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 15.0 p -132.52 -160.02 1.01 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.412 1.07 . . . . 0.0 110.439 -179.567 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 19.5 p-10 -125.92 20.01 7.72 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.551 1.157 . . . . 0.0 109.252 173.29 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 5' ' ' ILE . . . . . . . . . . . . . 49.9 mt -75.15 108.78 7.28 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.517 1.136 . . . . 0.0 109.297 178.488 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 58.0 pttt -66.6 148.11 52.34 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.505 1.128 . . . . 0.0 109.308 -170.656 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 7' ' ' CYS . . . . . 0.401 ' SG ' ' SG ' ' A' ' 13' ' ' CYS . 11.3 p -159.14 156.12 28.46 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.536 1.147 . . . . 0.0 108.275 178.41 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 90.9 p -97.52 -27.82 14.25 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.576 1.173 . . . . 0.0 110.01 170.142 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 4.5 mm-40 -149.9 163.51 37.86 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.503 1.127 . . . . 0.0 110.349 -166.945 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 58.1 m -80.05 -33.61 38.89 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.485 1.115 . . . . 0.0 110.027 -164.285 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 16.3 p90 -71.2 -10.02 59.07 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.586 1.178 . . . . 0.0 110.986 -176.584 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 79.2 mt-30 -77.31 -30.03 53.92 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.485 1.116 . . . . 0.0 110.272 173.199 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 13' ' ' CYS . . . . . 0.401 ' SG ' ' SG ' ' A' ' 7' ' ' CYS . 68.3 m -85.53 -35.77 20.91 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.512 1.133 . . . . 0.0 108.353 -172.334 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 14' ' ' PHE . . . . . 0.584 ' N ' ' CD ' ' A' ' 15' ' ' PRO . 0.1 OUTLIER -56.29 -45.5 99.91 Favored Pre-proline 0 C--N 1.326 -0.454 0 O-C-N 124.389 1.056 . . . . 0.0 111.034 -163.321 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 15' ' ' PRO . . . . . 0.584 ' CD ' ' N ' ' A' ' 14' ' ' PHE . 18.0 Cg_endo -75.06 -32.87 4.95 Favored 'Trans proline' 0 C--N 1.36 1.135 0 O-C-N 124.514 1.797 . . . . 0.0 111.023 -179.871 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 0.9 OUTLIER -61.26 -39.15 81.62 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.55 1.157 . . . . 0.0 109.25 177.27 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 83.5 m -75.16 -39.85 60.01 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.534 1.146 . . . . 0.0 108.3 -174.009 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 28.4 ttpp -69.08 -32.4 71.81 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.463 1.102 . . . . 0.0 109.288 -178.261 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 45.6 t -74.51 -50.85 16.56 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.512 1.133 . . . . 0.0 110.054 179.903 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 73.0 ttt180 -82.24 -59.99 2.36 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.487 1.117 . . . . 0.0 110.287 -166.66 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 62.2 m-85 -95.52 -18.96 20.21 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.512 1.133 . . . . 0.0 110.928 -169.598 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 78.79 25.47 60.31 Favored Glycine 0 CA--C 1.531 1.068 0 O-C-N 124.473 1.108 . . . . 0.0 110.955 -178.545 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 55.4 mttp -88.47 164.01 15.67 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.58 0.812 . . . . 0.0 109.322 -178.926 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 1.3 p -74.63 -37.81 62.68 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.533 1.145 . . . . 0.0 110.425 -167.003 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 6.1 t-20 -164.52 165.97 20.8 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.495 1.122 . . . . 0.0 109.328 -173.205 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -144.61 161.17 28.01 Favored Glycine 0 CA--C 1.53 1.016 0 O-C-N 124.425 1.078 . . . . 0.0 110.998 176.81 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 16.7 ptm180 -141.91 147.72 37.53 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.51 0.77 . . . . 0.0 110.324 -178.183 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 5.7 t -89.88 99.59 12.57 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.508 1.13 . . . . 0.0 108.319 -168.881 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 83.3 t -94.88 110.01 23.2 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.511 1.132 . . . . 0.0 109.294 -179.239 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 32.1 m120 53.48 40.13 30.95 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.427 1.08 . . . . 0.0 109.303 176.049 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . 83.6 13.77 74.98 Favored Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.49 1.119 . . . . 0.0 111.026 168.606 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 32' ' ' PHE . . . . . . . . . . . . . 72.1 m-85 -139.79 142.54 36.7 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.532 0.784 . . . . 0.0 110.978 177.441 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 33' ' ' CYS . . . . . . . . . . . . . 84.0 m -71.69 137.44 47.81 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.552 1.157 . . . . 0.0 108.307 -168.905 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 12.5 t70 -124.93 115.34 20.44 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.474 1.109 . . . . 0.0 109.271 166.358 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 35' ' ' CYS . . . . . . . . . . . . . 66.8 m -94.92 151.59 19.07 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.511 1.132 . . . . 0.0 108.328 -171.659 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 36' ' ' PHE . . . . . . . . . . . . . 52.9 p90 . . . . . 0 C--N 1.323 -0.551 0 O-C-N 124.532 1.145 . . . . 0.0 111.04 177.375 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo . . . . . 0 N--CA 1.454 -0.838 0 N-CA-C 110.965 -0.436 . . . . 0.0 110.965 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 31.9 p -126.54 -165.06 1.4 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.452 1.095 . . . . 0.0 110.38 177.994 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 12.4 p-10 -102.06 -6.1 23.75 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.414 1.071 . . . . 0.0 109.354 -173.974 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 5' ' ' ILE . . . . . . . . . . . . . 78.1 mt -76.73 120.89 27.84 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.515 0 O-C-N 124.556 1.16 . . . . 0.0 109.278 -172.032 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 98.8 mttt -78.37 152.16 32.44 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.494 1.122 . . . . 0.0 109.317 -177.484 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 7' ' ' CYS . . . . . 0.576 ' SG ' ' SG ' ' A' ' 13' ' ' CYS . 7.5 p -158.83 158.21 33.05 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.479 1.112 . . . . 0.0 108.307 179.027 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 89.5 p -99.59 -25.74 14.32 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.489 1.118 . . . . 0.0 110.061 169.894 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 1.2 mp0 -149.07 161.35 42.13 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.426 1.079 . . . . 0.0 110.284 -165.495 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 66.1 m -80.0 -34.48 38.46 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.517 1.135 . . . . 0.0 109.981 -165.008 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 21.4 p90 -72.4 -8.75 56.62 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.444 1.09 . . . . 0.0 111.04 -177.246 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 90.9 mt-30 -78.2 -29.76 48.61 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.497 1.123 . . . . 0.0 110.314 172.458 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 13' ' ' CYS . . . . . 0.576 ' SG ' ' SG ' ' A' ' 7' ' ' CYS . 72.7 m -85.36 -39.98 17.02 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.628 1.205 . . . . 0.0 108.39 -171.19 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 14' ' ' PHE . . . . . 0.59 ' N ' ' CD ' ' A' ' 15' ' ' PRO . 0.1 OUTLIER -56.8 -45.59 99.93 Favored Pre-proline 0 C--N 1.325 -0.48 0 O-C-N 124.441 1.088 . . . . 0.0 110.995 -162.351 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 15' ' ' PRO . . . . . 0.59 ' CD ' ' N ' ' A' ' 14' ' ' PHE . 18.6 Cg_endo -75.0 -29.81 7.83 Favored 'Trans proline' 0 C--N 1.36 1.158 0 O-C-N 124.502 1.791 . . . . 0.0 111.035 -179.147 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 1.2 t -68.02 -35.7 72.76 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.492 1.12 . . . . 0.0 109.294 179.089 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 79.9 m -74.86 -38.55 61.91 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.56 1.162 . . . . 0.0 108.324 -176.295 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 2.8 tmtm? -68.38 -35.71 78.09 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.494 1.121 . . . . 0.0 109.286 179.649 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 46.5 t -72.08 -49.6 35.09 Favored 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.53 1.144 . . . . 0.0 110.016 -179.142 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 51.2 tpt85 -82.32 -57.88 3.18 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.542 1.151 . . . . 0.0 110.251 -166.92 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 52.2 m-85 -98.85 -21.74 16.17 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.565 1.166 . . . . 0.0 111.033 -168.749 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 81.5 24.16 56.99 Favored Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.479 1.112 . . . . 0.0 110.978 -176.088 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 56.0 mttp -88.49 164.41 15.46 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.443 0.731 . . . . 0.0 109.271 -179.345 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 8.8 p -86.61 -31.46 21.14 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.493 1.121 . . . . 0.0 110.413 -159.088 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 10.9 t-20 -161.33 162.02 30.71 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.514 1.134 . . . . 0.0 109.329 -176.716 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -142.09 153.0 24.05 Favored Glycine 0 CA--C 1.531 1.061 0 O-C-N 124.484 1.115 . . . . 0.0 110.988 -179.926 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 10.8 tpp180 -140.02 136.76 34.04 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.543 0.79 . . . . 0.0 110.332 -179.081 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 6.8 t -85.04 97.14 9.66 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.406 1.066 . . . . 0.0 108.24 -171.534 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 95.4 t -94.96 110.69 24.33 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.504 1.127 . . . . 0.0 109.318 -179.943 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 35.8 m-20 58.57 35.78 24.76 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.501 1.126 . . . . 0.0 109.285 171.825 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . 85.42 11.8 74.32 Favored Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.469 1.105 . . . . 0.0 111.0 170.421 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 32' ' ' PHE . . . . . . . . . . . . . 58.6 m-85 -134.46 144.23 47.99 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.526 0.78 . . . . 0.0 110.997 175.401 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 33' ' ' CYS . . . . . . . . . . . . . 87.6 m -71.8 139.77 49.12 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.522 1.139 . . . . 0.0 108.295 -173.375 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 11.0 t0 -124.93 115.29 20.37 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.499 1.124 . . . . 0.0 109.276 170.185 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 35' ' ' CYS . . . . . . . . . . . . . 70.8 m -107.05 141.95 37.47 Favored 'General case' 0 C--N 1.326 -0.415 0 O-C-N 124.467 1.105 . . . . 0.0 108.326 -166.218 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 36' ' ' PHE . . . . . . . . . . . . . 20.0 p90 . . . . . 0 C--N 1.324 -0.522 0 O-C-N 124.451 1.094 . . . . 0.0 110.991 -179.097 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo . . . . . 0 N--CA 1.453 -0.86 0 N-CA-C 110.987 -0.428 . . . . 0.0 110.987 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 17.4 p -131.81 -164.24 1.43 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.521 1.138 . . . . 0.0 110.406 -179.861 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 16.6 p-10 -112.75 3.92 16.77 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.457 1.098 . . . . 0.0 109.302 -177.345 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 5' ' ' ILE . . . . . . . . . . . . . 54.7 mt -75.11 113.71 14.23 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.559 1.162 . . . . 0.0 109.306 -174.666 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 84.5 tttt -74.55 144.86 43.84 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.553 1.158 . . . . 0.0 109.333 -173.393 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 7' ' ' CYS . . . . . 0.653 ' SG ' ' SG ' ' A' ' 13' ' ' CYS . 6.0 p -156.32 154.97 31.45 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.521 1.138 . . . . 0.0 108.313 -177.744 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 93.2 p -97.89 -27.69 14.16 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.415 1.072 . . . . 0.0 109.979 171.876 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 4.0 mm-40 -149.72 161.7 41.71 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.568 1.168 . . . . 0.0 110.327 -162.028 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 29.8 m -77.03 -35.68 56.76 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.466 1.104 . . . . 0.0 109.992 -164.073 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 19.1 p90 -70.19 -10.9 60.28 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.452 1.095 . . . . 0.0 110.989 -173.965 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 62.4 mt-30 -75.7 -36.58 59.97 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.553 1.158 . . . . 0.0 110.314 172.016 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 13' ' ' CYS . . . . . 0.653 ' SG ' ' SG ' ' A' ' 7' ' ' CYS . 80.8 m -85.52 -39.9 16.93 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.533 1.146 . . . . 0.0 108.31 -169.865 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 14' ' ' PHE . . . . . 0.602 ' N ' ' CD ' ' A' ' 15' ' ' PRO . 0.1 OUTLIER -57.4 -45.28 99.9 Favored Pre-proline 0 C--N 1.324 -0.522 0 O-C-N 124.472 1.108 . . . . 0.0 111.034 -161.317 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 15' ' ' PRO . . . . . 0.602 ' CD ' ' N ' ' A' ' 14' ' ' PHE . 18.5 Cg_endo -74.98 -29.7 7.98 Favored 'Trans proline' 0 C--N 1.36 1.139 0 O-C-N 124.562 1.822 . . . . 0.0 111.013 -178.166 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 1.0 OUTLIER -67.78 -36.04 74.54 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.488 1.118 . . . . 0.0 109.255 178.311 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 63.4 m -74.51 -44.96 48.86 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.536 1.148 . . . . 0.0 108.285 -179.405 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 1.1 tmtp? -64.07 -36.06 82.78 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.483 1.114 . . . . 0.0 109.244 -176.045 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 42.2 t -78.6 -62.15 1.78 Allowed 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.531 1.144 . . . . 0.0 109.97 -177.309 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 4.3 tmt_? -83.15 -46.65 12.5 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.592 1.182 . . . . 0.0 110.28 -161.167 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 69.8 m-85 -89.8 -21.71 22.48 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.531 1.144 . . . . 0.0 110.989 -175.584 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 78.65 28.27 55.37 Favored Glycine 0 CA--C 1.53 0.989 0 O-C-N 124.5 1.125 . . . . 0.0 111.028 173.328 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 2.3 mtpp -90.01 173.98 7.91 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.453 0.737 . . . . 0.0 109.271 -178.027 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 1.4 p -74.84 -37.29 62.28 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.497 1.123 . . . . 0.0 110.409 -178.168 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 6.0 t-20 -163.36 167.66 21.45 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.478 1.111 . . . . 0.0 109.297 -174.881 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -154.13 154.56 25.59 Favored Glycine 0 CA--C 1.529 0.934 0 O-C-N 124.48 1.112 . . . . 0.0 111.057 173.318 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 52.1 mtp180 -143.17 163.7 32.19 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.497 0.763 . . . . 0.0 110.313 179.914 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 9.0 t -90.84 105.47 17.85 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.469 1.106 . . . . 0.0 108.316 -173.487 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 90.4 t -101.37 112.76 35.44 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.488 1.118 . . . . 0.0 109.291 179.872 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 35.0 m-20 58.29 35.97 25.28 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.521 1.138 . . . . 0.0 109.314 173.207 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . 85.43 8.72 80.48 Favored Glycine 0 CA--C 1.531 1.048 0 O-C-N 124.513 1.133 . . . . 0.0 111.043 170.249 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 32' ' ' PHE . . . . . . . . . . . . . 72.0 m-85 -139.39 144.5 38.18 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.562 0.801 . . . . 0.0 110.959 178.636 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 33' ' ' CYS . . . . . . . . . . . . . 96.5 m -72.42 138.28 47.03 Favored 'General case' 0 C--N 1.324 -0.535 0 O-C-N 124.535 1.147 . . . . 0.0 108.229 -168.162 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 11.0 t70 -129.56 128.49 42.86 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.424 1.078 . . . . 0.0 109.277 170.168 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 35' ' ' CYS . . . . . . . . . . . . . 32.4 m -101.58 147.02 26.9 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.466 1.104 . . . . 0.0 108.277 -176.31 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 36' ' ' PHE . . . . . . . . . . . . . 50.9 p90 . . . . . 0 C--N 1.324 -0.505 0 O-C-N 124.543 1.152 . . . . 0.0 111.041 175.779 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo . . . . . 0 N--CA 1.451 -0.973 0 N-CA-C 111.033 -0.411 . . . . 0.0 111.033 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 31.8 p -124.99 -164.67 1.3 Allowed 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.374 1.046 . . . . 0.0 110.417 176.254 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 13.2 p-10 -102.58 -4.75 24.77 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.454 1.096 . . . . 0.0 109.336 -174.345 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 5' ' ' ILE . . . . . . . . . . . . . 78.5 mt -78.14 110.1 13.49 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.465 1.103 . . . . 0.0 109.361 -171.987 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 57.7 pttt -70.49 155.18 41.05 Favored 'General case' 0 C--N 1.324 -0.54 0 O-C-N 124.563 1.164 . . . . 0.0 109.247 178.174 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 7' ' ' CYS . . . . . 0.68 ' SG ' ' SG ' ' A' ' 13' ' ' CYS . 5.7 p -161.57 155.07 21.43 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.445 1.09 . . . . 0.0 108.32 -176.83 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 93.3 p -101.38 -21.94 14.7 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.446 1.091 . . . . 0.0 110.02 174.21 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -151.55 158.8 44.04 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.456 1.098 . . . . 0.0 110.254 -165.459 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 63.3 m -80.41 -32.89 37.35 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.529 1.143 . . . . 0.0 110.0 -164.257 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 13.1 p90 -71.33 -9.83 58.77 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.437 1.085 . . . . 0.0 111.002 -177.175 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 66.0 mt-30 -75.24 -37.15 61.16 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.522 1.139 . . . . 0.0 110.301 170.77 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 13' ' ' CYS . . . . . 0.68 ' SG ' ' SG ' ' A' ' 7' ' ' CYS . 71.4 m -85.63 -40.15 16.53 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.501 1.126 . . . . 0.0 108.324 -168.517 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 14' ' ' PHE . . . . . 0.597 ' N ' ' CD ' ' A' ' 15' ' ' PRO . 0.1 OUTLIER -58.76 -44.5 99.05 Favored Pre-proline 0 C--N 1.325 -0.473 0 O-C-N 124.452 1.095 . . . . 0.0 111.038 -161.749 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 15' ' ' PRO . . . . . 0.597 ' CD ' ' N ' ' A' ' 14' ' ' PHE . 18.5 Cg_endo -75.01 -29.75 7.89 Favored 'Trans proline' 0 C--N 1.361 1.219 0 O-C-N 124.517 1.799 . . . . 0.0 111.018 -179.701 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 1.1 t -67.64 -35.45 72.94 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.518 0 O-C-N 124.482 1.114 . . . . 0.0 109.271 178.951 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 70.3 m -73.27 -43.24 61.41 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.479 1.112 . . . . 0.0 108.236 -179.602 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 13.9 ttmt -68.0 -32.49 72.93 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.556 1.16 . . . . 0.0 109.327 -176.055 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 41.0 t -78.75 -64.34 1.2 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.484 1.115 . . . . 0.0 110.045 -178.026 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -85.09 -38.04 19.57 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.505 1.128 . . . . 0.0 110.312 -159.412 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 82.1 m-85 -98.35 -25.74 14.73 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.474 1.109 . . . . 0.0 110.97 -176.47 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 80.71 27.72 49.72 Favored Glycine 0 CA--C 1.53 0.971 0 O-C-N 124.527 1.142 . . . . 0.0 111.063 174.49 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 2.2 mtpp -90.28 168.73 11.69 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.456 0.739 . . . . 0.0 109.249 -176.609 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 1.9 p -76.47 -31.22 57.66 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.505 1.128 . . . . 0.0 110.425 -170.694 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 55.9 t30 -163.82 162.04 23.51 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.479 1.112 . . . . 0.0 109.26 -177.056 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -142.31 162.35 27.24 Favored Glycine 0 CA--C 1.53 1.031 0 O-C-N 124.474 1.109 . . . . 0.0 110.998 175.471 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 2.2 tpt180 -154.64 144.98 22.05 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.576 0.81 . . . . 0.0 110.291 -178.755 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 13.5 t -83.78 99.02 10.02 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.485 1.115 . . . . 0.0 108.247 -177.13 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 81.1 t -94.97 110.0 23.22 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.39 1.056 . . . . 0.0 109.336 -178.291 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 32.2 m120 53.51 42.59 31.92 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.557 1.161 . . . . 0.0 109.395 175.344 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . 86.45 7.94 78.42 Favored Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.458 1.099 . . . . 0.0 111.011 166.097 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 32' ' ' PHE . . . . . . . . . . . . . 43.7 m-85 -140.07 144.38 36.81 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.556 0.797 . . . . 0.0 111.077 177.659 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 33' ' ' CYS . . . . . . . . . . . . . 83.8 m -72.66 142.86 48.28 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.524 1.14 . . . . 0.0 108.29 -168.578 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 11.5 t70 -133.11 125.32 29.29 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.531 1.144 . . . . 0.0 109.301 172.873 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 35' ' ' CYS . . . . . . . . . . . . . 58.6 m -108.08 139.36 42.85 Favored 'General case' 0 C--N 1.324 -0.536 0 O-C-N 124.565 1.165 . . . . 0.0 108.348 -172.364 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 36' ' ' PHE . . . . . . . . . . . . . 31.3 p90 . . . . . 0 C--N 1.324 -0.523 0 O-C-N 124.478 1.111 . . . . 0.0 111.087 -179.407 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo . . . . . 0 N--CA 1.452 -0.929 0 N-CA-C 110.983 -0.429 . . . . 0.0 110.983 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 16.3 p -131.16 -161.34 1.12 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.495 1.122 . . . . 0.0 110.39 172.275 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 4.7 p-10 -124.79 20.08 8.51 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.522 1.139 . . . . 0.0 109.267 177.335 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 5' ' ' ILE . . . . . . . . . . . . . 83.5 mt -87.28 113.79 25.29 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.588 1.18 . . . . 0.0 109.378 177.038 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 58.3 tttm -75.64 144.94 41.42 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.492 1.12 . . . . 0.0 109.272 -178.696 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 7' ' ' CYS . . . . . 0.637 ' SG ' ' SG ' ' A' ' 13' ' ' CYS . 5.2 p -151.9 153.6 34.47 Favored 'General case' 0 C--N 1.324 -0.54 0 O-C-N 124.549 1.155 . . . . 0.0 108.335 -176.819 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 60.6 p -97.7 -26.26 14.81 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.459 1.099 . . . . 0.0 110.036 172.693 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 4.0 mp0 -149.57 163.97 36.4 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.502 1.126 . . . . 0.0 110.286 -169.694 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 67.4 m -80.29 -31.91 38.19 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.554 1.159 . . . . 0.0 110.063 -163.33 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 16.9 p90 -70.42 -11.34 60.85 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.468 1.105 . . . . 0.0 111.002 -176.633 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 78.5 mt-30 -76.18 -32.34 58.98 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.447 1.092 . . . . 0.0 110.39 172.621 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 13' ' ' CYS . . . . . 0.637 ' SG ' ' SG ' ' A' ' 7' ' ' CYS . 71.6 m -85.38 -40.06 16.9 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.509 1.13 . . . . 0.0 108.282 -169.648 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 14' ' ' PHE . . . . . 0.6 ' N ' ' CD ' ' A' ' 15' ' ' PRO . 0.1 OUTLIER -58.22 -44.82 99.59 Favored Pre-proline 0 C--N 1.325 -0.495 0 O-C-N 124.488 1.117 . . . . 0.0 111.032 -161.711 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 15' ' ' PRO . . . . . 0.6 ' CD ' ' N ' ' A' ' 14' ' ' PHE . 18.0 Cg_endo -75.04 -29.84 7.75 Favored 'Trans proline' 0 C--N 1.36 1.161 0 O-C-N 124.506 1.793 . . . . 0.0 110.96 -179.29 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 1.1 t -67.9 -35.58 72.64 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.479 1.112 . . . . 0.0 109.299 178.948 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 99.2 m -75.01 -41.6 59.13 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.551 1.157 . . . . 0.0 108.311 -178.737 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 86.7 tttt -66.88 -33.77 76.33 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.538 1.149 . . . . 0.0 109.26 -177.683 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 41.5 t -77.38 -59.12 2.91 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.553 1.158 . . . . 0.0 109.961 -178.308 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 4.4 tmt_? -84.41 -50.33 7.88 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.553 1.158 . . . . 0.0 110.333 -161.758 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 66.0 m-85 -88.39 -24.5 23.06 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.501 1.125 . . . . 0.0 110.925 -175.519 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 79.6 26.85 55.86 Favored Glycine 0 CA--C 1.53 0.973 0 O-C-N 124.497 1.123 . . . . 0.0 111.001 179.472 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 25.2 mmtt -88.05 169.8 11.64 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.453 0.737 . . . . 0.0 109.322 -176.755 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 1.4 p -74.92 -37.18 62.11 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.557 1.16 . . . . 0.0 110.412 -174.929 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 5.9 t-20 -162.34 166.62 25.0 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.516 1.135 . . . . 0.0 109.215 -173.268 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -146.81 162.76 28.57 Favored Glycine 0 CA--C 1.531 1.036 0 O-C-N 124.506 1.128 . . . . 0.0 111.024 176.77 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 56.0 ttp180 -150.48 144.05 25.13 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.524 0.779 . . . . 0.0 110.326 -177.543 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 6.9 t -81.95 99.37 9.06 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.536 1.148 . . . . 0.0 108.287 -176.281 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 73.1 t -94.9 109.98 23.16 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.444 0 O-C-N 124.474 1.108 . . . . 0.0 109.264 -179.658 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 31.7 m120 53.46 41.99 32.03 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.428 1.08 . . . . 0.0 109.317 176.41 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . 87.81 4.98 78.47 Favored Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.476 1.11 . . . . 0.0 110.998 166.289 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 32' ' ' PHE . . . . . . . . . . . . . 29.7 m-85 -140.14 145.71 37.9 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.507 0.769 . . . . 0.0 110.997 179.479 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 33' ' ' CYS . . . . . . . . . . . . . 75.2 m -74.71 141.54 44.49 Favored 'General case' 0 C--N 1.326 -0.421 0 O-C-N 124.51 1.132 . . . . 0.0 108.323 -165.433 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 10.2 t70 -128.41 128.12 43.86 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.453 1.095 . . . . 0.0 109.323 168.083 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 35' ' ' CYS . . . . . . . . . . . . . 58.7 m -106.65 139.85 40.45 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.517 1.135 . . . . 0.0 108.281 -171.604 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 36' ' ' PHE . . . . . . . . . . . . . 31.3 p90 . . . . . 0 C--N 1.324 -0.506 0 O-C-N 124.408 1.067 . . . . 0.0 111.064 -178.939 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo . . . . . 0 N--CA 1.452 -0.915 0 N-CA-C 111.05 -0.404 . . . . 0.0 111.05 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 51.0 p -126.41 -162.36 1.13 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.501 1.126 . . . . 0.0 110.319 178.29 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 17.0 p-10 -109.12 -2.1 18.32 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.528 1.143 . . . . 0.0 109.331 175.998 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 5' ' ' ILE . . . . . . . . . . . . . 75.5 mt -74.88 117.23 18.74 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.503 1.127 . . . . 0.0 109.26 -175.128 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 51.9 tttm -80.03 146.91 31.72 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.437 1.086 . . . . 0.0 109.302 -177.661 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 7' ' ' CYS . . . . . 0.615 ' SG ' ' SG ' ' A' ' 13' ' ' CYS . 8.4 p -153.77 157.5 39.51 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.528 1.143 . . . . 0.0 108.296 -178.401 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 92.3 p -96.93 -27.75 14.51 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.5 1.125 . . . . 0.0 110.086 169.797 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 30.6 mm-40 -149.18 161.18 42.5 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.487 1.117 . . . . 0.0 110.3 -162.507 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 58.1 m -79.4 -33.7 42.49 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.444 1.09 . . . . 0.0 110.05 -163.88 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 18.1 p90 -70.74 -11.43 60.95 Favored 'General case' 0 C--N 1.326 -0.43 0 O-C-N 124.468 1.105 . . . . 0.0 110.969 -176.385 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 74.6 mt-30 -75.97 -32.66 59.6 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.425 1.078 . . . . 0.0 110.322 173.265 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 13' ' ' CYS . . . . . 0.615 ' SG ' ' SG ' ' A' ' 7' ' ' CYS . 77.5 m -85.73 -34.19 21.28 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.49 1.119 . . . . 0.0 108.254 -170.157 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 14' ' ' PHE . . . . . 0.588 ' N ' ' CD ' ' A' ' 15' ' ' PRO . 0.1 OUTLIER -58.33 -45.12 99.73 Favored Pre-proline 0 C--N 1.325 -0.5 0 O-C-N 124.554 1.159 . . . . 0.0 111.05 -162.915 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 15' ' ' PRO . . . . . 0.588 ' CD ' ' N ' ' A' ' 14' ' ' PHE . 18.2 Cg_endo -75.0 -32.96 4.95 Favored 'Trans proline' 0 C--N 1.361 1.185 0 O-C-N 124.489 1.784 . . . . 0.0 110.996 179.735 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 0.9 OUTLIER -60.15 -40.36 83.23 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.548 1.155 . . . . 0.0 109.336 176.206 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 68.9 m -75.22 -40.72 58.85 Favored 'General case' 0 C--N 1.326 -0.426 0 O-C-N 124.394 1.059 . . . . 0.0 108.362 -174.354 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 14.7 tmtt? -68.99 -33.16 73.22 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.537 1.148 . . . . 0.0 109.355 -176.949 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 41.7 t -77.71 -57.2 3.94 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.531 1.144 . . . . 0.0 109.98 -177.405 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 41.2 ttm180 -82.59 -53.95 5.55 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.48 1.113 . . . . 0.0 110.284 -164.034 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 90.7 m-85 -94.25 -17.34 22.76 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.481 1.113 . . . . 0.0 110.972 -171.772 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 77.41 27.65 59.13 Favored Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.529 1.143 . . . . 0.0 111.08 173.905 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 2.9 mtpp -86.73 171.18 11.12 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.52 0.776 . . . . 0.0 109.252 -178.697 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 1.3 p -74.96 -37.56 61.92 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.55 1.156 . . . . 0.0 110.336 -175.514 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 30.5 t-20 -163.12 165.62 24.4 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.474 1.109 . . . . 0.0 109.323 -171.937 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -143.33 162.19 27.61 Favored Glycine 0 CA--C 1.53 0.983 0 O-C-N 124.524 1.14 . . . . 0.0 110.976 176.797 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 9.7 ptp180 -149.4 158.47 44.2 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.454 0.738 . . . . 0.0 110.272 177.039 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 4.7 t -94.32 105.66 17.64 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.554 1.159 . . . . 0.0 108.277 -172.586 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 94.8 t -96.88 109.93 23.99 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.502 1.126 . . . . 0.0 109.313 177.856 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 35.5 m-20 57.85 35.62 25.59 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.42 1.075 . . . . 0.0 109.246 171.837 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . 88.34 8.76 70.78 Favored Glycine 0 CA--C 1.53 1.029 0 O-C-N 124.494 1.121 . . . . 0.0 110.997 169.694 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 32' ' ' PHE . . . . . . . . . . . . . 49.8 m-85 -139.99 146.06 38.62 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.511 0.771 . . . . 0.0 111.021 177.624 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 33' ' ' CYS . . . . . . . . . . . . . 89.1 m -74.31 147.63 42.11 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.508 1.13 . . . . 0.0 108.325 -163.894 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 13.7 t0 -138.51 127.62 24.14 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.534 1.146 . . . . 0.0 109.315 169.758 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 35' ' ' CYS . . . . . . . . . . . . . 56.1 m -101.43 146.14 28.02 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.45 1.093 . . . . 0.0 108.346 -172.043 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 36' ' ' PHE . . . . . . . . . . . . . 45.6 p90 . . . . . 0 C--N 1.324 -0.53 0 O-C-N 124.544 1.152 . . . . 0.0 111.022 177.04 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo . . . . . 0 N--CA 1.453 -0.864 0 N-CA-C 110.986 -0.429 . . . . 0.0 110.986 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 20.3 p -132.47 -163.9 1.4 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.513 1.133 . . . . 0.0 110.361 175.624 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 39.2 p-10 -114.61 9.33 16.53 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.456 1.097 . . . . 0.0 109.237 -177.606 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 5' ' ' ILE . . . . . . . . . . . . . 83.3 mt -84.48 119.05 32.77 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.528 0 O-C-N 124.511 1.132 . . . . 0.0 109.301 -178.956 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 52.8 mtpt -78.22 151.46 33.12 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.533 1.146 . . . . 0.0 109.348 -177.379 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 7' ' ' CYS . . . . . 0.482 ' SG ' ' SG ' ' A' ' 13' ' ' CYS . 6.8 p -159.1 157.61 31.35 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.487 1.117 . . . . 0.0 108.305 -178.827 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 92.3 p -97.49 -28.34 14.02 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.474 1.109 . . . . 0.0 110.048 169.05 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 31.0 mm-40 -149.23 160.67 43.17 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.52 1.137 . . . . 0.0 110.342 -163.699 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 31.9 m -80.08 -32.9 39.25 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.505 1.128 . . . . 0.0 110.041 -163.321 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 17.1 p90 -70.14 -11.97 61.27 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.499 1.125 . . . . 0.0 111.042 -176.795 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 74.7 mt-30 -74.4 -33.88 63.14 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.558 1.161 . . . . 0.0 110.279 173.203 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 13' ' ' CYS . . . . . 0.482 ' SG ' ' SG ' ' A' ' 7' ' ' CYS . 64.7 m -85.7 -34.76 21.19 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.46 1.1 . . . . 0.0 108.287 -169.401 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 14' ' ' PHE . . . . . 0.586 ' N ' ' CD ' ' A' ' 15' ' ' PRO . 0.1 OUTLIER -58.24 -44.81 99.58 Favored Pre-proline 0 C--N 1.325 -0.477 0 O-C-N 124.506 1.129 . . . . 0.0 111.022 -162.214 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 15' ' ' PRO . . . . . 0.586 ' CD ' ' N ' ' A' ' 14' ' ' PHE . 18.6 Cg_endo -74.98 -33.78 4.34 Favored 'Trans proline' 0 C--N 1.359 1.118 0 O-C-N 124.547 1.814 . . . . 0.0 111.0 178.991 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 0.9 OUTLIER -59.99 -40.06 81.99 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.506 1.129 . . . . 0.0 109.291 177.29 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 88.1 m -75.11 -39.47 60.62 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.488 1.118 . . . . 0.0 108.313 -172.92 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 37.8 ttpt -70.01 -34.18 72.96 Favored 'General case' 0 C--N 1.327 -0.403 0 O-C-N 124.525 1.141 . . . . 0.0 109.332 -177.919 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 43.4 t -75.03 -50.95 14.83 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.518 1.136 . . . . 0.0 110.008 -178.137 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 25.4 tpt180 -83.1 -60.93 2.0 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.505 1.128 . . . . 0.0 110.315 -165.124 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 40.5 m-85 -99.61 -14.06 19.13 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.461 1.1 . . . . 0.0 111.011 -168.692 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 78.05 43.25 14.17 Favored Glycine 0 CA--C 1.53 0.986 0 O-C-N 124.44 1.087 . . . . 0.0 111.035 175.339 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 4.2 mptp? -101.79 160.41 14.49 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.495 0.762 . . . . 0.0 109.333 179.037 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 9.0 p -76.61 -36.44 57.47 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.507 1.129 . . . . 0.0 110.421 -170.42 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 58.7 t30 -156.74 158.39 36.8 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.504 1.127 . . . . 0.0 109.361 -177.324 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -142.73 148.21 19.88 Favored Glycine 0 CA--C 1.53 0.991 0 O-C-N 124.46 1.1 . . . . 0.0 110.958 177.117 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 99.8 mtt180 -135.17 149.64 49.99 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.517 0.775 . . . . 0.0 110.295 -177.572 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 8.5 t -88.46 98.47 11.65 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.48 1.113 . . . . 0.0 108.279 -173.025 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 99.6 t -95.04 110.67 24.33 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.503 1.127 . . . . 0.0 109.302 -179.884 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 35.7 m-20 58.38 37.02 25.85 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.506 1.128 . . . . 0.0 109.27 172.022 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . 85.17 11.01 76.91 Favored Glycine 0 CA--C 1.529 0.96 0 O-C-N 124.542 1.151 . . . . 0.0 110.995 170.186 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 32' ' ' PHE . . . . . . . . . . . . . 33.2 m-85 -137.17 146.05 44.48 Favored 'General case' 0 C--N 1.324 -0.537 0 O-C-N 124.437 0.728 . . . . 0.0 110.998 176.848 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 33' ' ' CYS . . . . . . . . . . . . . 96.1 m -73.39 138.82 45.52 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.453 1.095 . . . . 0.0 108.309 -171.968 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 9.8 t70 -126.99 122.28 34.06 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.509 1.131 . . . . 0.0 109.282 170.536 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 35' ' ' CYS . . . . . . . . . . . . . 72.0 m -107.95 139.85 41.95 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.508 1.13 . . . . 0.0 108.321 -168.478 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 36' ' ' PHE . . . . . . . . . . . . . 45.9 p90 . . . . . 0 C--N 1.324 -0.504 0 O-C-N 124.578 1.174 . . . . 0.0 110.988 179.784 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo . . . . . 0 N--CA 1.452 -0.919 0 N-CA-C 111.049 -0.404 . . . . 0.0 111.049 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 25.9 p -123.47 -162.14 1.02 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.513 1.133 . . . . 0.0 110.378 -179.571 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 6.7 p-10 -122.33 16.08 10.56 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.476 1.11 . . . . 0.0 109.282 -178.152 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 5' ' ' ILE . . . . . . . . . . . . . 85.5 mt -80.53 114.56 21.64 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.508 1.13 . . . . 0.0 109.314 178.002 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 84.8 tttt -73.01 144.72 47.08 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.548 1.155 . . . . 0.0 109.284 -173.156 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 7' ' ' CYS . . . . . 0.457 ' SG ' ' SG ' ' A' ' 13' ' ' CYS . 6.1 p -154.21 153.06 31.11 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.526 1.141 . . . . 0.0 108.282 -178.218 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 20.7 p -93.99 -31.44 14.25 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.456 1.097 . . . . 0.0 110.011 170.515 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 47.1 mt-10 -149.47 163.15 38.61 Favored 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.568 1.167 . . . . 0.0 110.304 -163.686 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 56.0 m -79.93 -35.87 37.16 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.519 1.137 . . . . 0.0 110.056 -159.903 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 23.4 p90 -73.14 -6.18 44.01 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.518 1.136 . . . . 0.0 111.008 -175.303 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 91.4 mt-30 -76.07 -33.95 59.56 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.567 1.167 . . . . 0.0 110.294 170.882 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 13' ' ' CYS . . . . . 0.457 ' SG ' ' SG ' ' A' ' 7' ' ' CYS . 72.3 m -85.74 -35.33 20.86 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.525 1.141 . . . . 0.0 108.28 -170.783 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 14' ' ' PHE . . . . . 0.591 ' N ' ' CD ' ' A' ' 15' ' ' PRO . 0.1 OUTLIER -58.77 -44.82 99.44 Favored Pre-proline 0 C--N 1.325 -0.47 0 O-C-N 124.505 1.128 . . . . 0.0 111.032 -162.683 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 15' ' ' PRO . . . . . 0.591 ' CD ' ' N ' ' A' ' 14' ' ' PHE . 18.3 Cg_endo -74.97 -30.03 7.66 Favored 'Trans proline' 0 C--N 1.36 1.158 0 O-C-N 124.494 1.786 . . . . 0.0 110.99 179.834 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 0.9 OUTLIER -64.1 -38.11 81.59 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.435 1.084 . . . . 0.0 109.316 176.611 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 91.6 m -74.99 -42.85 56.72 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.452 1.095 . . . . 0.0 108.301 -176.942 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 37.4 ttpt -61.88 -39.67 92.72 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.455 1.097 . . . . 0.0 109.345 -179.05 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 40.3 t -74.54 -63.2 1.29 Allowed 'General case' 0 C--N 1.326 -0.423 0 O-C-N 124.456 1.097 . . . . 0.0 110.012 -175.917 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 4.4 tmt_? -85.12 -46.96 10.63 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.434 1.084 . . . . 0.0 110.371 -162.083 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 68.5 m-85 -90.3 -21.41 22.07 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.462 1.101 . . . . 0.0 110.979 -172.42 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 73.67 36.47 53.56 Favored Glycine 0 CA--C 1.529 0.968 0 O-C-N 124.468 1.105 . . . . 0.0 111.044 178.678 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -102.19 165.7 11.0 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.48 0.753 . . . . 0.0 109.249 -177.898 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 7.5 p -77.6 -37.49 50.21 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.5 1.125 . . . . 0.0 110.4 -171.022 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 52.2 t30 -157.75 158.97 36.31 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.474 1.109 . . . . 0.0 109.251 -177.063 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -144.4 148.64 20.5 Favored Glycine 0 CA--C 1.529 0.938 0 O-C-N 124.448 1.093 . . . . 0.0 111.025 178.073 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 99.7 mtt180 -139.1 156.67 46.98 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.477 0.751 . . . . 0.0 110.311 -178.455 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 11.1 t -91.25 101.56 14.28 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.552 1.158 . . . . 0.0 108.28 -173.149 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 88.1 t -96.06 109.85 23.47 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.444 0 O-C-N 124.501 1.126 . . . . 0.0 109.265 -178.389 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 32.2 m120 53.48 41.7 32.07 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.476 1.11 . . . . 0.0 109.267 175.304 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . 85.69 7.68 81.24 Favored Glycine 0 CA--C 1.529 0.95 0 O-C-N 124.483 1.114 . . . . 0.0 111.041 167.485 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 32' ' ' PHE . . . . . . . . . . . . . 67.6 m-85 -139.34 143.18 37.69 Favored 'General case' 0 C--N 1.327 -0.411 0 O-C-N 124.429 0.723 . . . . 0.0 110.988 178.301 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 33' ' ' CYS . . . . . . . . . . . . . 91.8 m -70.65 144.71 51.0 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.532 1.145 . . . . 0.0 108.303 -167.837 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 10.3 t70 -132.45 126.26 32.63 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.471 1.107 . . . . 0.0 109.316 168.594 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 35' ' ' CYS . . . . . . . . . . . . . 65.9 m -102.38 142.31 33.8 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.53 1.144 . . . . 0.0 108.257 -174.913 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 36' ' ' PHE . . . . . . . . . . . . . 50.4 p90 . . . . . 0 C--N 1.326 -0.451 0 O-C-N 124.551 1.157 . . . . 0.0 110.994 176.726 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo . . . . . 0 N--CA 1.453 -0.858 0 N-CA-C 110.996 -0.425 . . . . 0.0 110.996 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 29.1 p -133.17 -165.27 1.59 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.622 1.201 . . . . 0.0 110.412 179.61 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 12.0 p-10 -101.94 -5.64 24.43 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.481 1.113 . . . . 0.0 109.351 -174.957 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 5' ' ' ILE . . . . . . . . . . . . . 82.2 mt -80.35 118.68 28.42 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.443 0 O-C-N 124.485 1.115 . . . . 0.0 109.333 -172.954 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 27.7 mtpp -79.66 153.21 29.51 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.546 1.154 . . . . 0.0 109.298 -179.107 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 7' ' ' CYS . . . . . 0.668 ' SG ' ' SG ' ' A' ' 13' ' ' CYS . 4.7 p -157.17 155.39 30.85 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.495 1.122 . . . . 0.0 108.297 -178.608 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 97.5 p -95.36 -28.14 15.1 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.494 1.121 . . . . 0.0 110.106 171.058 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 1.5 mp0 -149.33 161.26 42.41 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.516 1.135 . . . . 0.0 110.328 -163.317 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 74.3 m -80.01 -33.66 39.1 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.605 1.191 . . . . 0.0 110.039 -163.49 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 15.6 p90 -70.27 -11.25 60.77 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.554 1.159 . . . . 0.0 111.013 -176.523 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 74.8 mt-30 -75.02 -35.99 61.94 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.47 1.106 . . . . 0.0 110.343 173.322 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 13' ' ' CYS . . . . . 0.668 ' SG ' ' SG ' ' A' ' 7' ' ' CYS . 76.4 m -85.73 -35.93 20.49 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.488 1.118 . . . . 0.0 108.357 -169.553 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 14' ' ' PHE . . . . . 0.598 ' N ' ' CD ' ' A' ' 15' ' ' PRO . 0.1 OUTLIER -59.07 -44.31 98.54 Favored Pre-proline 0 C--N 1.325 -0.486 0 O-C-N 124.437 1.086 . . . . 0.0 111.019 -161.438 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 15' ' ' PRO . . . . . 0.598 ' CD ' ' N ' ' A' ' 14' ' ' PHE . 18.5 Cg_endo -74.95 -34.02 4.2 Favored 'Trans proline' 0 C--N 1.36 1.164 0 O-C-N 124.47 1.774 . . . . 0.0 111.026 179.116 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 0.9 OUTLIER -58.67 -39.53 76.57 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 O-C-N 124.473 1.108 . . . . 0.0 109.358 175.377 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 91.5 m -75.02 -44.65 46.76 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.52 1.138 . . . . 0.0 108.304 -175.199 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 61.0 tttp -63.89 -37.12 86.24 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.447 1.092 . . . . 0.0 109.302 -176.017 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 42.8 t -78.01 -62.8 1.56 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.478 1.111 . . . . 0.0 110.042 -176.537 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 4.3 tmt_? -85.02 -45.34 12.23 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.457 1.098 . . . . 0.0 110.291 -161.523 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 69.6 m-85 -90.93 -20.59 22.02 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.519 1.137 . . . . 0.0 111.0 -173.136 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 75.38 41.93 29.22 Favored Glycine 0 CA--C 1.53 0.974 0 O-C-N 124.41 1.069 . . . . 0.0 110.952 174.22 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -109.69 169.9 8.41 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.463 0.743 . . . . 0.0 109.275 -177.187 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 9.4 p -78.76 -35.9 43.85 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.545 1.153 . . . . 0.0 110.393 -173.398 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 60.9 t30 -157.26 161.92 39.21 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.482 1.114 . . . . 0.0 109.302 -175.995 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -138.61 161.2 25.75 Favored Glycine 0 CA--C 1.53 0.982 0 O-C-N 124.567 1.167 . . . . 0.0 111.004 175.074 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 55.3 ttm-85 -153.23 143.25 22.2 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.471 0.747 . . . . 0.0 110.319 -178.026 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 9.3 t -86.02 99.07 11.21 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.484 1.115 . . . . 0.0 108.258 -175.75 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 99.0 t -98.19 113.45 32.87 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.529 1.143 . . . . 0.0 109.268 -179.756 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 38.0 m-20 58.31 36.3 25.48 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.479 1.112 . . . . 0.0 109.294 172.603 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . 83.49 11.93 79.2 Favored Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.484 1.115 . . . . 0.0 110.976 170.07 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 32' ' ' PHE . . . . . . . . . . . . . 32.9 m-85 -135.18 147.14 49.3 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.466 0.745 . . . . 0.0 110.968 176.113 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 33' ' ' CYS . . . . . . . . . . . . . 84.3 m -74.79 136.47 41.66 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.557 1.161 . . . . 0.0 108.284 -173.311 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 44.2 t0 -124.93 124.87 42.96 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.429 1.081 . . . . 0.0 109.328 172.697 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 35' ' ' CYS . . . . . . . . . . . . . 70.2 m -109.71 132.64 53.96 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.428 1.08 . . . . 0.0 108.222 -172.027 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 36' ' ' PHE . . . . . . . . . . . . . 38.4 p90 . . . . . 0 C--N 1.325 -0.463 0 O-C-N 124.489 1.118 . . . . 0.0 111.027 -177.089 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo . . . . . 0 N--CA 1.453 -0.91 0 N-CA-C 110.996 -0.425 . . . . 0.0 110.996 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 22.7 p -132.71 -164.77 1.51 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.495 1.122 . . . . 0.0 110.424 174.477 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 12.6 p-10 -104.05 -5.06 22.49 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.545 1.153 . . . . 0.0 109.252 -175.525 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 5' ' ' ILE . . . . . . . . . . . . . 68.3 mt -77.34 120.61 28.15 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.527 0 O-C-N 124.579 1.174 . . . . 0.0 109.318 -171.192 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 1.9 mmpt? -77.19 146.74 36.86 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.47 1.106 . . . . 0.0 109.271 -177.558 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 7' ' ' CYS . . . . . 0.643 ' SG ' ' SG ' ' A' ' 13' ' ' CYS . 7.1 p -156.41 159.02 38.32 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.514 1.134 . . . . 0.0 108.33 178.119 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 88.4 p -102.0 -23.76 14.07 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.436 1.085 . . . . 0.0 110.059 170.966 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -150.71 159.95 44.17 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.471 1.107 . . . . 0.0 110.251 -164.868 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 63.2 m -79.36 -32.96 43.29 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.481 1.113 . . . . 0.0 110.0 -164.073 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 15.5 p90 -72.8 -10.15 59.47 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.535 1.147 . . . . 0.0 110.973 -176.137 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 53.3 mt-30 -74.63 -35.06 62.89 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.525 1.14 . . . . 0.0 110.244 171.018 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 13' ' ' CYS . . . . . 0.643 ' SG ' ' SG ' ' A' ' 7' ' ' CYS . 79.4 m -85.52 -40.03 16.78 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.468 1.105 . . . . 0.0 108.324 -168.239 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 14' ' ' PHE . . . . . 0.585 ' N ' ' CD ' ' A' ' 15' ' ' PRO . 0.1 OUTLIER -57.95 -44.64 99.52 Favored Pre-proline 0 C--N 1.325 -0.47 0 O-C-N 124.511 1.132 . . . . 0.0 111.003 -161.399 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 15' ' ' PRO . . . . . 0.585 ' CD ' ' N ' ' A' ' 14' ' ' PHE . 17.9 Cg_endo -75.09 -30.65 6.81 Favored 'Trans proline' 0 C--N 1.36 1.142 0 O-C-N 124.441 1.759 . . . . 0.0 110.941 179.562 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 1.1 t -68.5 -36.62 75.51 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.502 1.126 . . . . 0.0 109.313 -177.551 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 91.4 m -74.86 -41.93 58.89 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.531 1.144 . . . . 0.0 108.321 -177.086 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 40.3 tttp -70.21 -29.36 66.17 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.542 1.151 . . . . 0.0 109.294 -175.959 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 42.9 t -76.37 -51.84 11.1 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.453 1.095 . . . . 0.0 109.987 177.195 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 1.3 tpm_? -77.96 -60.64 2.29 Favored 'General case' 0 C--N 1.326 -0.426 0 O-C-N 124.474 1.109 . . . . 0.0 110.374 -168.548 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 36.3 m-85 -94.45 -25.19 17.0 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.494 1.121 . . . . 0.0 111.037 -168.944 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 83.88 25.13 46.67 Favored Glycine 0 CA--C 1.529 0.949 0 O-C-N 124.536 1.147 . . . . 0.0 111.029 178.369 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 30.7 mttp -83.54 165.08 19.39 Favored 'General case' 0 C--N 1.326 -0.43 0 O-C-N 124.508 0.769 . . . . 0.0 109.358 176.977 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 1.4 p -74.67 -35.03 62.8 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.53 1.144 . . . . 0.0 110.395 -167.631 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 6.4 t-20 -160.17 165.69 31.12 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.496 1.122 . . . . 0.0 109.331 -176.548 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -158.71 143.73 9.6 Favored Glycine 0 CA--C 1.529 0.959 0 O-C-N 124.501 1.125 . . . . 0.0 110.998 177.442 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 97.5 mtt180 -143.94 156.08 44.29 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.438 0.729 . . . . 0.0 110.353 -171.044 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 5.2 t -90.78 105.98 18.2 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.511 1.132 . . . . 0.0 108.297 -166.281 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 97.0 t -104.4 112.85 39.63 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.505 1.128 . . . . 0.0 109.294 178.216 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 36.3 m-20 58.22 34.56 24.23 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.421 1.076 . . . . 0.0 109.313 173.042 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . 92.89 -3.0 73.25 Favored Glycine 0 CA--C 1.529 0.968 0 O-C-N 124.464 1.102 . . . . 0.0 111.031 168.675 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 32' ' ' PHE . . . . . . . . . . . . . 54.3 m-85 -124.38 144.56 49.97 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.499 0.764 . . . . 0.0 110.975 -179.305 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 33' ' ' CYS . . . . . . . . . . . . . 91.9 m -70.52 140.62 51.87 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.499 1.124 . . . . 0.0 108.314 -174.772 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 12.1 t70 -131.03 109.92 10.85 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.493 1.12 . . . . 0.0 109.273 178.274 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 35' ' ' CYS . . . . . . . . . . . . . 60.2 m -107.05 137.06 45.84 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.471 1.107 . . . . 0.0 108.328 -163.562 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 36' ' ' PHE . . . . . . . . . . . . . 46.8 p90 . . . . . 0 C--N 1.324 -0.51 0 O-C-N 124.604 1.19 . . . . 0.0 110.979 -177.491 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo . . . . . 0 N--CA 1.454 -0.847 0 N-CA-C 111.028 -0.412 . . . . 0.0 111.028 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 31.6 p -126.62 -164.11 1.3 Allowed 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.422 1.076 . . . . 0.0 110.453 172.793 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 36.6 p-10 -108.6 6.28 25.78 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.468 1.105 . . . . 0.0 109.312 -175.863 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 5' ' ' ILE . . . . . . . . . . . . . 74.2 mt -82.42 111.57 19.01 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.535 1.147 . . . . 0.0 109.341 -178.002 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 19.5 ptmt -69.88 153.67 42.98 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.53 1.144 . . . . 0.0 109.355 179.944 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 7' ' ' CYS . . . . . 0.441 ' SG ' ' SG ' ' A' ' 13' ' ' CYS . 8.6 p -160.72 154.73 22.8 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.446 1.092 . . . . 0.0 108.24 -178.191 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 77.6 p -95.37 -29.67 14.32 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.465 1.103 . . . . 0.0 109.978 170.141 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 47.8 mm-40 -149.47 162.19 40.63 Favored 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.556 1.16 . . . . 0.0 110.337 -165.416 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 21.5 m -80.15 -32.81 38.85 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.474 1.109 . . . . 0.0 109.999 -163.732 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 16.0 p90 -69.87 -12.05 61.33 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.5 1.125 . . . . 0.0 111.006 -176.864 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 82.6 mt-30 -75.42 -33.26 60.92 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.505 1.128 . . . . 0.0 110.301 173.633 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 13' ' ' CYS . . . . . 0.441 ' SG ' ' SG ' ' A' ' 7' ' ' CYS . 64.2 m -85.77 -32.91 21.57 Favored 'General case' 0 C--N 1.326 -0.426 0 O-C-N 124.456 1.097 . . . . 0.0 108.316 -170.738 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 14' ' ' PHE . . . . . 0.598 ' N ' ' CD ' ' A' ' 15' ' ' PRO . 0.1 OUTLIER -57.48 -45.26 99.88 Favored Pre-proline 0 C--N 1.325 -0.462 0 O-C-N 124.488 1.117 . . . . 0.0 111.068 -162.08 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 15' ' ' PRO . . . . . 0.598 ' CD ' ' N ' ' A' ' 14' ' ' PHE . 18.6 Cg_endo -74.98 -35.78 2.96 Favored 'Trans proline' 0 C--N 1.36 1.137 0 O-C-N 124.557 1.82 . . . . 0.0 111.025 -179.246 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 0.9 OUTLIER -55.87 -42.95 72.78 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.521 0 O-C-N 124.467 1.105 . . . . 0.0 109.291 174.448 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 96.7 m -75.07 -46.0 37.67 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.484 1.115 . . . . 0.0 108.314 -173.773 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 1.1 tmtp? -63.6 -34.68 78.35 Favored 'General case' 0 C--N 1.326 -0.414 0 O-C-N 124.474 1.108 . . . . 0.0 109.358 -175.37 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 43.2 t -78.24 -65.41 0.98 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.514 1.133 . . . . 0.0 110.015 -176.978 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 3.3 tmm_? -85.07 -40.04 17.27 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.402 1.064 . . . . 0.0 110.276 -159.326 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 74.2 m-85 -92.22 -21.43 20.35 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.462 1.101 . . . . 0.0 111.047 -177.314 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 78.75 26.2 59.1 Favored Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.44 1.087 . . . . 0.0 110.998 174.485 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 18.7 mmtt -85.17 174.55 9.57 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.523 0.778 . . . . 0.0 109.301 -177.352 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 7.3 p -78.1 -43.13 29.9 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.414 1.071 . . . . 0.0 110.457 177.942 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 48.0 t30 -163.02 161.5 25.49 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.486 1.116 . . . . 0.0 109.306 -175.86 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -138.94 169.73 24.31 Favored Glycine 0 CA--C 1.53 0.987 0 O-C-N 124.568 1.168 . . . . 0.0 111.023 177.204 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 12.2 ptm85 -156.88 156.96 34.02 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.497 0.763 . . . . 0.0 110.31 -178.593 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 5.1 t -91.49 109.12 20.41 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.502 1.126 . . . . 0.0 108.327 -173.053 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 90.9 t -102.95 111.81 34.1 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.558 1.161 . . . . 0.0 109.312 176.504 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 37.0 m-20 57.86 36.86 26.73 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.467 1.104 . . . . 0.0 109.219 171.604 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . 85.34 10.88 76.59 Favored Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.529 1.143 . . . . 0.0 110.944 169.592 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 32' ' ' PHE . . . . . . . . . . . . . 44.0 m-85 -140.16 145.63 37.76 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.519 0.776 . . . . 0.0 110.945 176.867 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 33' ' ' CYS . . . . . . . . . . . . . 90.6 m -71.95 147.49 46.93 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.517 1.136 . . . . 0.0 108.284 -166.913 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 11.4 t0 -137.86 121.27 17.11 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.475 1.109 . . . . 0.0 109.277 172.849 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 35' ' ' CYS . . . . . . . . . . . . . 52.7 m -105.99 134.36 49.25 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.532 1.145 . . . . 0.0 108.279 -170.868 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 36' ' ' PHE . . . . . . . . . . . . . 52.6 p90 . . . . . 0 C--N 1.325 -0.5 0 O-C-N 124.461 1.101 . . . . 0.0 111.024 -177.384 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo . . . . . 0 N--CA 1.452 -0.928 0 N-CA-C 111.021 -0.415 . . . . 0.0 111.021 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 32.2 p -123.98 -164.44 1.24 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.557 1.161 . . . . 0.0 110.364 -177.969 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 15.5 p-10 -104.51 -1.32 26.79 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.446 1.091 . . . . 0.0 109.325 -174.843 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 5' ' ' ILE . . . . . . . . . . . . . 82.3 mt -77.37 119.92 26.87 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.437 0 O-C-N 124.436 1.085 . . . . 0.0 109.297 -173.7 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 64.5 mttp -79.37 150.64 31.33 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.451 1.095 . . . . 0.0 109.262 -176.074 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 7' ' ' CYS . . . . . 0.728 ' SG ' ' SG ' ' A' ' 13' ' ' CYS . 5.5 p -158.28 154.99 28.06 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.532 1.145 . . . . 0.0 108.289 179.743 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 88.1 p -99.55 -26.88 13.95 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.492 1.12 . . . . 0.0 109.973 171.83 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 49.2 mt-10 -149.28 161.4 42.12 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.502 1.126 . . . . 0.0 110.298 -165.864 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 57.9 m -80.43 -34.51 36.06 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.483 1.114 . . . . 0.0 109.97 -159.155 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 23.2 p90 -72.65 -7.03 48.32 Favored 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.499 1.124 . . . . 0.0 111.028 -175.778 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 63.0 mt-30 -74.29 -38.68 63.31 Favored 'General case' 0 C--N 1.326 -0.424 0 O-C-N 124.494 1.121 . . . . 0.0 110.279 168.838 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 13' ' ' CYS . . . . . 0.728 ' SG ' ' SG ' ' A' ' 7' ' ' CYS . 76.5 m -85.67 -40.04 16.6 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.592 1.183 . . . . 0.0 108.349 -168.644 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 14' ' ' PHE . . . . . 0.595 ' N ' ' CD ' ' A' ' 15' ' ' PRO . 0.1 OUTLIER -57.82 -44.95 99.8 Favored Pre-proline 0 C--N 1.325 -0.483 0 O-C-N 124.511 1.132 . . . . 0.0 111.042 -161.659 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 15' ' ' PRO . . . . . 0.595 ' CD ' ' N ' ' A' ' 14' ' ' PHE . 18.1 Cg_endo -75.03 -29.61 8.0 Favored 'Trans proline' 0 C--N 1.36 1.148 0 O-C-N 124.406 1.74 . . . . 0.0 110.969 -178.811 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 1.0 OUTLIER -68.08 -35.59 72.21 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.525 0 O-C-N 124.459 1.099 . . . . 0.0 109.248 178.667 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 69.0 m -72.87 -45.54 57.71 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.534 1.146 . . . . 0.0 108.368 179.576 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 14.8 tmtt? -65.15 -35.25 80.5 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.523 1.139 . . . . 0.0 109.29 -175.39 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 43.4 t -79.27 -61.5 1.99 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.585 1.178 . . . . 0.0 110.007 -176.97 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 4.4 tmt_? -83.43 -46.22 12.76 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.484 1.115 . . . . 0.0 110.333 -161.593 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 75.2 m-85 -90.76 -21.6 21.47 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.528 1.142 . . . . 0.0 110.974 -175.922 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 80.47 25.12 57.56 Favored Glycine 0 CA--C 1.531 1.051 0 O-C-N 124.503 1.127 . . . . 0.0 111.033 172.195 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 2.4 mtpt -87.32 174.39 8.59 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.6 0.823 . . . . 0.0 109.276 -177.154 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 1.3 p -74.89 -38.2 61.92 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.522 1.139 . . . . 0.0 110.365 -177.242 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 5.3 t-20 -163.31 166.98 22.45 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.458 1.099 . . . . 0.0 109.336 -173.05 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -147.7 163.77 28.8 Favored Glycine 0 CA--C 1.531 1.071 0 O-C-N 124.514 1.134 . . . . 0.0 111.014 176.612 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 74.5 ttt180 -153.85 145.81 23.58 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.515 0.774 . . . . 0.0 110.267 -177.677 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 12.5 t -83.77 102.01 12.0 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.583 1.177 . . . . 0.0 108.356 -177.308 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 96.0 t -97.97 111.0 26.71 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.493 1.121 . . . . 0.0 109.287 179.549 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 37.5 m-20 58.35 37.25 25.91 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.477 1.11 . . . . 0.0 109.349 170.981 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . 87.27 8.52 74.7 Favored Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.546 1.154 . . . . 0.0 110.96 169.14 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 32' ' ' PHE . . . . . . . . . . . . . 45.7 m-85 -136.65 145.59 44.98 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.546 0.792 . . . . 0.0 110.942 177.366 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 33' ' ' CYS . . . . . . . . . . . . . 94.0 m -72.76 140.07 47.51 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.48 1.113 . . . . 0.0 108.302 -172.577 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 10.5 t70 -132.56 126.62 33.24 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.474 1.109 . . . . 0.0 109.35 172.204 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 35' ' ' CYS . . . . . . . . . . . . . 38.6 m -104.52 144.37 31.77 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.519 1.137 . . . . 0.0 108.302 -174.645 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 36' ' ' PHE . . . . . . . . . . . . . 30.9 p90 . . . . . 0 C--N 1.325 -0.475 0 O-C-N 124.476 1.11 . . . . 0.0 110.998 177.671 . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo . . . . . 0 N--CA 1.453 -0.882 0 N-CA-C 111.032 -0.411 . . . . 0.0 111.032 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 33.7 p -133.06 -165.37 1.6 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.483 1.115 . . . . 0.0 110.389 -174.259 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 8.3 p-10 -97.82 -8.6 28.07 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.494 1.121 . . . . 0.0 109.359 -174.976 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 5' ' ' ILE . . . . . . . . . . . . . 68.2 mt -81.73 117.36 27.59 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.501 1.126 . . . . 0.0 109.297 -168.087 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 55.6 tttm -80.09 145.07 32.61 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.421 1.075 . . . . 0.0 109.237 176.315 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 7' ' ' CYS . . . . . 0.545 ' SG ' ' SG ' ' A' ' 13' ' ' CYS . 8.6 p -152.01 158.4 43.02 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.507 1.129 . . . . 0.0 108.314 -177.261 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 88.1 p -102.37 -21.29 14.31 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.494 1.121 . . . . 0.0 110.059 172.54 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -152.7 161.28 42.77 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.516 1.135 . . . . 0.0 110.242 -168.737 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 66.4 m -80.17 -33.24 38.5 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.525 1.141 . . . . 0.0 109.966 -164.391 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 14.6 p90 -71.15 -11.09 60.75 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.493 1.12 . . . . 0.0 110.996 -177.093 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 76.5 mt-30 -75.77 -29.84 58.93 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.425 1.078 . . . . 0.0 110.278 172.626 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 13' ' ' CYS . . . . . 0.545 ' SG ' ' SG ' ' A' ' 7' ' ' CYS . 83.2 m -85.4 -39.9 17.07 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.517 1.135 . . . . 0.0 108.29 -170.808 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 14' ' ' PHE . . . . . 0.586 ' N ' ' CD ' ' A' ' 15' ' ' PRO . 0.0 OUTLIER -56.2 -46.03 99.84 Favored Pre-proline 0 C--N 1.325 -0.469 0 O-C-N 124.523 1.14 . . . . 0.0 110.996 -161.559 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 15' ' ' PRO . . . . . 0.586 ' CD ' ' N ' ' A' ' 14' ' ' PHE . 18.2 Cg_endo -75.01 -29.9 7.71 Favored 'Trans proline' 0 C--N 1.36 1.166 0 O-C-N 124.534 1.807 . . . . 0.0 111.042 -178.607 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 1.1 t -69.76 -35.65 66.34 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.439 0 O-C-N 124.506 1.128 . . . . 0.0 109.325 -179.221 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 83.1 m -73.5 -37.37 65.72 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.523 1.14 . . . . 0.0 108.292 -177.699 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 37.7 ttpt -70.0 -32.56 70.8 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.445 1.091 . . . . 0.0 109.3 -179.95 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 44.4 t -72.69 -51.25 20.1 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.46 1.1 . . . . 0.0 110.021 179.3 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 68.5 ttt180 -83.65 -59.67 2.36 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.499 1.124 . . . . 0.0 110.291 -166.58 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 46.1 m-85 -94.26 -20.9 19.39 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.377 1.048 . . . . 0.0 111.072 -170.076 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 81.46 24.95 55.58 Favored Glycine 0 CA--C 1.53 0.986 0 O-C-N 124.545 1.153 . . . . 0.0 110.984 -177.436 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 94.3 mttt -91.18 159.72 15.92 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.477 0.751 . . . . 0.0 109.246 -177.5 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 7.4 p -75.0 -41.45 59.47 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.505 1.128 . . . . 0.0 110.39 -166.314 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 4.0 t-20 -159.95 164.95 32.96 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.483 1.114 . . . . 0.0 109.286 -175.832 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -146.37 159.41 27.97 Favored Glycine 0 CA--C 1.53 0.989 0 O-C-N 124.426 1.079 . . . . 0.0 110.995 177.596 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 59.0 ttt85 -129.93 138.69 51.02 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.488 0.758 . . . . 0.0 110.322 -177.957 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 6.2 t -81.74 91.82 6.53 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.482 1.114 . . . . 0.0 108.31 -175.38 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 78.1 t -94.9 118.12 40.28 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.515 0 O-C-N 124.48 1.113 . . . . 0.0 109.313 -178.354 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 34.5 m-20 57.24 33.92 24.01 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.462 1.101 . . . . 0.0 109.268 176.854 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . 82.23 13.58 78.59 Favored Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.545 1.153 . . . . 0.0 111.036 170.583 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 32' ' ' PHE . . . . . . . . . . . . . 25.4 m-85 -140.06 147.82 40.88 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.476 0.75 . . . . 0.0 111.038 177.641 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 33' ' ' CYS . . . . . . . . . . . . . 80.2 m -74.33 137.87 43.12 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.539 1.149 . . . . 0.0 108.28 -166.712 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 51.4 t0 -124.76 111.83 16.0 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.515 1.135 . . . . 0.0 109.345 170.218 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 35' ' ' CYS . . . . . . . . . . . . . 75.9 m -102.49 143.65 31.93 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.421 1.075 . . . . 0.0 108.33 -165.634 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 36' ' ' PHE . . . . . . . . . . . . . 16.5 p90 . . . . . 0 C--N 1.324 -0.509 0 O-C-N 124.51 1.131 . . . . 0.0 110.976 -178.857 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo . . . . . 0 N--CA 1.453 -0.884 0 N-CA-C 110.994 -0.426 . . . . 0.0 110.994 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 52.3 p -126.98 -159.58 0.94 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.496 1.123 . . . . 0.0 110.393 -177.852 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 19.2 p-10 -127.37 20.04 6.81 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.553 1.158 . . . . 0.0 109.314 170.491 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 5' ' ' ILE . . . . . . . . . . . . . 57.8 mt -74.48 113.34 12.84 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.478 1.111 . . . . 0.0 109.33 177.074 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 84.5 tttt -75.12 144.44 42.84 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.425 1.078 . . . . 0.0 109.267 -170.004 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 7' ' ' CYS . . . . . 0.505 ' SG ' ' SG ' ' A' ' 13' ' ' CYS . 6.3 p -154.99 156.19 35.55 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.522 1.139 . . . . 0.0 108.303 -178.066 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 91.1 p -98.37 -26.43 14.49 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.464 1.102 . . . . 0.0 110.092 171.228 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 3.5 mm-40 -149.88 161.01 43.11 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.503 1.127 . . . . 0.0 110.31 -164.844 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 37.5 m -80.0 -33.64 39.15 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.52 1.137 . . . . 0.0 109.978 -163.437 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 16.1 p90 -70.53 -10.89 60.36 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.519 1.137 . . . . 0.0 110.944 -176.423 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 75.0 mt-30 -75.01 -33.6 61.83 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.512 1.132 . . . . 0.0 110.281 173.245 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 13' ' ' CYS . . . . . 0.505 ' SG ' ' SG ' ' A' ' 7' ' ' CYS . 84.8 m -85.71 -35.42 20.85 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.449 1.093 . . . . 0.0 108.268 -169.939 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 14' ' ' PHE . . . . . 0.587 ' N ' ' CD ' ' A' ' 15' ' ' PRO . 0.1 OUTLIER -58.25 -44.82 99.58 Favored Pre-proline 0 C--N 1.324 -0.513 0 O-C-N 124.563 1.165 . . . . 0.0 111.009 -162.225 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 15' ' ' PRO . . . . . 0.587 ' CD ' ' N ' ' A' ' 14' ' ' PHE . 18.4 Cg_endo -75.05 -34.07 4.06 Favored 'Trans proline' 0 C--N 1.36 1.14 0 O-C-N 124.483 1.781 . . . . 0.0 111.011 179.298 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 0.9 OUTLIER -58.92 -39.81 78.74 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.554 1.159 . . . . 0.0 109.335 176.017 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 93.5 m -75.23 -41.01 58.52 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.535 1.147 . . . . 0.0 108.361 -174.274 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 28.2 ttpp -66.61 -31.87 72.85 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.493 1.121 . . . . 0.0 109.225 -178.196 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 44.4 t -76.22 -50.05 15.5 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.415 1.072 . . . . 0.0 109.953 179.567 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 49.5 tpt85 -79.2 -58.37 3.26 Favored 'General case' 0 C--N 1.324 -0.533 0 O-C-N 124.536 1.148 . . . . 0.0 110.285 -167.557 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 68.4 m-85 -99.76 -19.99 16.46 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.408 1.067 . . . . 0.0 110.961 -168.667 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 78.11 27.86 57.3 Favored Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.521 1.138 . . . . 0.0 110.977 -177.513 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 25.0 mmtt -81.47 170.76 15.54 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.52 0.776 . . . . 0.0 109.346 -179.218 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 8.2 p -87.12 -31.1 20.6 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.495 1.122 . . . . 0.0 110.429 -169.485 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 55.2 t30 -164.48 157.72 17.54 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.518 1.136 . . . . 0.0 109.287 -179.138 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -142.65 147.48 18.94 Favored Glycine 0 CA--C 1.53 1.023 0 O-C-N 124.487 1.117 . . . . 0.0 111.028 177.726 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 99.7 mtt180 -135.21 153.47 51.93 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.571 0.807 . . . . 0.0 110.282 -177.092 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 9.0 t -90.59 97.03 10.94 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.441 1.088 . . . . 0.0 108.274 -172.491 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 97.9 t -95.05 113.21 28.97 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 O-C-N 124.532 1.145 . . . . 0.0 109.282 -178.433 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 33.1 m-20 58.1 35.71 25.35 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.487 1.117 . . . . 0.0 109.306 174.411 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . 84.35 10.04 80.72 Favored Glycine 0 CA--C 1.53 0.98 0 O-C-N 124.469 1.106 . . . . 0.0 111.026 170.742 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 32' ' ' PHE . . . . . . . . . . . . . 73.3 m-85 -138.44 145.17 40.59 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.428 0.722 . . . . 0.0 110.998 178.557 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 33' ' ' CYS . . . . . . . . . . . . . 82.4 m -70.93 142.9 51.08 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.455 1.097 . . . . 0.0 108.3 -169.727 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 61.4 t0 -136.62 127.17 26.91 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.519 1.137 . . . . 0.0 109.307 168.142 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 35' ' ' CYS . . . . . . . . . . . . . 33.9 m -109.71 145.6 36.3 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.498 1.124 . . . . 0.0 108.299 -167.869 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 36' ' ' PHE . . . . . . . . . . . . . 42.6 p90 . . . . . 0 C--N 1.325 -0.482 0 O-C-N 124.504 1.128 . . . . 0.0 111.016 -179.997 . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 18.7 Cg_endo . . . . . 0 N--CA 1.453 -0.902 0 N-CA-C 111.058 -0.401 . . . . 0.0 111.058 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 13.2 p -132.59 -163.49 1.35 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.511 1.132 . . . . 0.0 110.46 171.764 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 16.0 p-10 -114.25 4.2 15.39 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.459 1.099 . . . . 0.0 109.329 -179.094 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 5' ' ' ILE . . . . . . . . . . . . . 85.5 mt -79.84 119.6 29.58 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.473 1.108 . . . . 0.0 109.309 -173.977 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 17.2 tptm -78.65 139.15 38.56 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.455 1.097 . . . . 0.0 109.322 -176.741 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 7' ' ' CYS . . . . . 0.617 ' SG ' ' SG ' ' A' ' 13' ' ' CYS . 8.1 p -151.9 158.17 42.83 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.52 1.138 . . . . 0.0 108.28 -178.796 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 90.6 p -95.23 -31.03 13.68 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.555 1.159 . . . . 0.0 110.038 167.765 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 23.9 mt-10 -149.08 159.94 43.78 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.451 1.095 . . . . 0.0 110.253 -156.261 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 73.6 m -78.3 -32.96 49.6 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.491 1.119 . . . . 0.0 109.985 -161.926 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 13.4 p90 -70.98 -14.03 62.21 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.532 1.145 . . . . 0.0 111.089 -175.387 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 52.8 mt-30 -72.37 -35.92 68.6 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.477 1.111 . . . . 0.0 110.338 172.415 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 13' ' ' CYS . . . . . 0.617 ' SG ' ' SG ' ' A' ' 7' ' ' CYS . 83.9 m -85.69 -40.0 16.62 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.427 1.079 . . . . 0.0 108.296 -166.909 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 14' ' ' PHE . . . . . 0.584 ' N ' ' CD ' ' A' ' 15' ' ' PRO . 0.1 OUTLIER -58.46 -44.89 99.6 Favored Pre-proline 0 C--N 1.324 -0.521 0 O-C-N 124.552 1.158 . . . . 0.0 110.998 -161.022 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 15' ' ' PRO . . . . . 0.584 ' CD ' ' N ' ' A' ' 14' ' ' PHE . 18.2 Cg_endo -75.02 -30.32 7.26 Favored 'Trans proline' 0 C--N 1.361 1.207 0 O-C-N 124.47 1.774 . . . . 0.0 111.035 179.834 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 1.1 t -68.03 -35.96 73.71 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.515 1.135 . . . . 0.0 109.284 -179.514 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 69.6 m -73.79 -39.7 63.94 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.484 1.115 . . . . 0.0 108.313 -176.366 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 64.7 tttm -69.89 -34.06 73.04 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.548 1.155 . . . . 0.0 109.348 -178.055 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 47.2 t -73.57 -49.38 26.62 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.484 1.115 . . . . 0.0 109.979 179.88 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 1.2 tpm_? -80.84 -61.8 1.86 Allowed 'General case' 0 C--N 1.326 -0.432 0 O-C-N 124.439 1.087 . . . . 0.0 110.26 -167.547 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 79.5 m-85 -99.15 -9.18 24.1 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.471 1.107 . . . . 0.0 110.953 -167.021 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 73.67 25.68 71.53 Favored Glycine 0 CA--C 1.53 1.017 0 O-C-N 124.495 1.122 . . . . 0.0 110.979 177.635 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 24.6 mmtt -81.15 162.63 23.57 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.509 0.77 . . . . 0.0 109.314 -178.458 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 6.1 p -74.99 -36.02 62.02 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.474 1.109 . . . . 0.0 110.409 -172.467 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 10.4 t-20 -162.14 164.16 28.08 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.541 1.151 . . . . 0.0 109.268 -177.923 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -150.01 160.1 28.38 Favored Glycine 0 CA--C 1.531 1.036 0 O-C-N 124.429 1.081 . . . . 0.0 111.015 177.287 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 16.7 ptp180 -153.37 160.36 42.63 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.455 0.738 . . . . 0.0 110.345 -179.539 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 5.9 t -92.26 109.67 21.05 Favored 'General case' 0 C--N 1.324 -0.534 0 O-C-N 124.563 1.165 . . . . 0.0 108.258 -169.674 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 95.8 t -104.63 111.35 33.81 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.454 1.096 . . . . 0.0 109.326 178.414 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 36.9 m-20 58.13 36.32 25.78 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.482 1.114 . . . . 0.0 109.257 171.746 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . 91.32 0.13 74.0 Favored Glycine 0 CA--C 1.53 0.991 0 O-C-N 124.462 1.101 . . . . 0.0 111.001 168.572 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 32' ' ' PHE . . . . . . . . . . . . . 52.9 m-85 -133.05 143.63 49.5 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.48 0.753 . . . . 0.0 111.01 179.904 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 33' ' ' CYS . . . . . 0.426 ' SG ' ' SG ' ' A' ' 7' ' ' CYS . 87.4 m -71.68 144.02 49.5 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.447 1.092 . . . . 0.0 108.29 -168.884 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 13.2 t70 -131.51 120.17 22.57 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.491 1.12 . . . . 0.0 109.333 173.405 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 35' ' ' CYS . . . . . . . . . . . . . 40.0 m -105.24 141.79 36.16 Favored 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.504 1.128 . . . . 0.0 108.343 -170.425 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 36' ' ' PHE . . . . . . . . . . . . . 45.3 p90 . . . . . 0 C--N 1.323 -0.553 0 O-C-N 124.469 1.105 . . . . 0.0 111.017 178.437 . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo . . . . . 0 N--CA 1.453 -0.897 0 N-CA-C 111.005 -0.421 . . . . 0.0 111.005 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 10.7 p -129.39 -159.61 0.97 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.471 1.107 . . . . 0.0 110.432 172.862 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 7.1 p-10 -127.37 20.06 6.8 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.486 1.116 . . . . 0.0 109.312 175.608 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 5' ' ' ILE . . . . . . . . . . . . . 76.5 mt -80.87 113.32 20.12 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.471 1.107 . . . . 0.0 109.257 176.661 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 63.4 tttm -72.38 144.22 48.3 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.481 1.113 . . . . 0.0 109.321 -172.956 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 7' ' ' CYS . . . . . 0.53 ' SG ' ' SG ' ' A' ' 13' ' ' CYS . 6.3 p -155.79 154.95 32.17 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.489 1.118 . . . . 0.0 108.296 -178.519 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 63.8 p -96.14 -29.02 14.3 Favored 'General case' 0 C--N 1.324 -0.531 0 O-C-N 124.586 1.179 . . . . 0.0 110.018 170.654 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 48.3 mm-40 -149.4 162.56 39.85 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.466 1.104 . . . . 0.0 110.324 -165.133 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 42.4 m -80.14 -33.27 38.66 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.499 1.124 . . . . 0.0 109.984 -163.711 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 17.7 p90 -70.34 -11.75 61.12 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.435 1.085 . . . . 0.0 111.01 -177.073 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 85.8 mt-30 -76.41 -31.87 58.19 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.53 1.144 . . . . 0.0 110.3 173.827 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 13' ' ' CYS . . . . . 0.53 ' SG ' ' SG ' ' A' ' 7' ' ' CYS . 73.1 m -85.38 -40.07 16.89 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.536 1.147 . . . . 0.0 108.279 -170.296 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 14' ' ' PHE . . . . . 0.588 ' N ' ' CD ' ' A' ' 15' ' ' PRO . 0.1 OUTLIER -58.27 -44.91 99.66 Favored Pre-proline 0 C--N 1.326 -0.441 0 O-C-N 124.485 1.115 . . . . 0.0 111.026 -160.71 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 15' ' ' PRO . . . . . 0.588 ' CD ' ' N ' ' A' ' 14' ' ' PHE . 18.5 Cg_endo -74.93 -29.94 7.82 Favored 'Trans proline' 0 C--N 1.36 1.156 0 O-C-N 124.439 1.758 . . . . 0.0 111.019 -179.56 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 1.0 OUTLIER -68.41 -36.36 74.54 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.432 1.082 . . . . 0.0 109.335 179.718 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 93.6 m -75.16 -39.82 60.05 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.449 1.093 . . . . 0.0 108.331 -177.539 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 28.2 ttpp -67.05 -34.24 77.26 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.542 1.151 . . . . 0.0 109.233 -179.089 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 47.1 t -74.14 -50.15 20.68 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.551 1.157 . . . . 0.0 109.994 179.826 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 26.6 tpt180 -79.67 -60.36 2.38 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.51 1.131 . . . . 0.0 110.308 -168.35 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 45.7 m-85 -96.79 -21.2 17.68 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.482 1.114 . . . . 0.0 111.027 -168.109 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 79.19 29.16 51.52 Favored Glycine 0 CA--C 1.529 0.939 0 O-C-N 124.579 1.175 . . . . 0.0 111.012 -178.635 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 8.7 mmtp -80.14 164.2 23.51 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.511 0.771 . . . . 0.0 109.324 179.994 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 6.6 p -75.73 -38.55 58.42 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.493 1.12 . . . . 0.0 110.399 -175.247 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 60.4 t30 -157.57 159.57 37.25 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.483 1.115 . . . . 0.0 109.247 -178.224 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -148.11 146.67 16.55 Favored Glycine 0 CA--C 1.531 1.045 0 O-C-N 124.497 1.123 . . . . 0.0 110.995 174.461 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 94.3 mtt-85 -139.67 156.03 47.06 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.578 0.811 . . . . 0.0 110.224 -175.439 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 8.4 t -89.67 102.95 15.64 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.536 1.147 . . . . 0.0 108.286 -169.674 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 98.2 t -97.64 109.97 24.5 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.485 1.116 . . . . 0.0 109.315 179.313 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 34.4 m-20 58.47 36.61 25.42 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.484 1.115 . . . . 0.0 109.287 172.094 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . 88.39 5.95 74.88 Favored Glycine 0 CA--C 1.53 1.018 0 O-C-N 124.597 1.186 . . . . 0.0 110.997 169.557 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 32' ' ' PHE . . . . . . . . . . . . . 79.8 m-85 -138.33 143.64 40.0 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.5 0.765 . . . . 0.0 110.984 178.312 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 33' ' ' CYS . . . . . . . . . . . . . 74.3 m -70.45 144.98 51.29 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.572 1.17 . . . . 0.0 108.273 -168.38 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 10.8 t0 -129.02 121.72 28.51 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.455 1.097 . . . . 0.0 109.338 167.924 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 35' ' ' CYS . . . . . . . . . . . . . 61.7 m -111.55 126.04 54.56 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.452 1.095 . . . . 0.0 108.307 -167.713 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 36' ' ' PHE . . . . . . . . . . . . . 45.8 p90 . . . . . 0 C--N 1.324 -0.507 0 O-C-N 124.53 1.144 . . . . 0.0 110.987 -172.783 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 1' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.452 -0.339 0 N-CA-C 110.345 -0.243 . . . . 0.0 110.345 . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.04 152.52 40.66 Favored 'Trans proline' 0 C--N 1.359 1.08 0 O-C-N 124.545 1.813 . . . . 0.0 110.926 170.621 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 46.0 p -127.12 -161.28 1.06 Allowed 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.57 1.169 . . . . 0.0 110.393 -179.772 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 41.9 p-10 -118.41 11.23 12.95 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.511 1.132 . . . . 0.0 109.307 173.808 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 5' ' ' ILE . . . . . . . . . . . . . 50.8 mt -74.71 112.47 12.03 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.443 0 O-C-N 124.519 1.137 . . . . 0.0 109.284 178.809 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 38.3 ttpt -73.22 145.41 46.24 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.422 1.076 . . . . 0.0 109.28 -172.556 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 7' ' ' CYS . . . . . 0.551 ' SG ' ' SG ' ' A' ' 13' ' ' CYS . 11.2 p -153.13 154.22 34.35 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.499 1.124 . . . . 0.0 108.255 179.328 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 7.9 p -100.48 -23.7 14.66 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.581 1.175 . . . . 0.0 110.038 173.252 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 4.3 mp0 -149.55 163.7 37.12 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.561 1.163 . . . . 0.0 110.282 -173.005 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 19.8 m -80.06 -33.12 39.25 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.502 1.126 . . . . 0.0 110.013 -165.502 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 16.5 p90 -72.1 -9.72 58.8 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.443 1.089 . . . . 0.0 111.013 -177.174 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 70.5 mt-30 -78.04 -28.83 49.06 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.532 1.145 . . . . 0.0 110.291 173.189 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 13' ' ' CYS . . . . . 0.551 ' SG ' ' SG ' ' A' ' 7' ' ' CYS . 74.6 m -85.48 -38.97 18.0 Favored 'General case' 0 C--N 1.326 -0.432 0 O-C-N 124.469 1.105 . . . . 0.0 108.292 -172.494 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 14' ' ' PHE . . . . . 0.591 ' N ' ' CD ' ' A' ' 15' ' ' PRO . 0.1 OUTLIER -55.99 -46.19 99.8 Favored Pre-proline 0 C--N 1.325 -0.495 0 O-C-N 124.454 1.097 . . . . 0.0 110.929 -162.103 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 15' ' ' PRO . . . . . 0.591 ' CD ' ' N ' ' A' ' 14' ' ' PHE . 18.5 Cg_endo -74.97 -29.69 8.01 Favored 'Trans proline' 0 C--N 1.359 1.119 0 O-C-N 124.561 1.822 . . . . 0.0 111.109 -177.543 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 1.1 t -68.66 -36.58 75.1 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 O-C-N 124.485 1.115 . . . . 0.0 109.3 178.72 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 93.1 m -75.0 -41.15 60.03 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.452 1.095 . . . . 0.0 108.299 -177.467 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 14.8 tmtt? -65.55 -36.3 83.38 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.484 1.115 . . . . 0.0 109.302 -179.35 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 42.6 t -72.06 -51.5 21.33 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.499 1.124 . . . . 0.0 110.008 -179.447 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 9.2 tpm_? -79.89 -57.9 3.43 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.541 1.15 . . . . 0.0 110.243 -166.924 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 40.3 m-85 -97.91 -20.88 17.19 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.386 1.054 . . . . 0.0 111.017 -167.838 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 80.62 27.27 51.75 Favored Glycine 0 CA--C 1.529 0.932 0 O-C-N 124.458 1.099 . . . . 0.0 111.027 -178.45 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 25.2 mmtt -80.41 172.49 13.69 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.474 0.749 . . . . 0.0 109.341 179.669 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 7.4 p -89.72 -31.95 17.22 Favored 'General case' 0 C--N 1.324 -0.536 0 O-C-N 124.545 1.153 . . . . 0.0 110.326 -170.447 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 38.4 t-20 -163.51 160.41 23.17 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.477 1.11 . . . . 0.0 109.296 -176.32 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -139.28 158.15 25.26 Favored Glycine 0 CA--C 1.529 0.96 0 O-C-N 124.474 1.109 . . . . 0.0 111.062 178.049 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 19.1 ptt180 -151.79 142.71 23.02 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.518 0.775 . . . . 0.0 110.282 -175.644 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 3.9 t -88.04 104.37 16.59 Favored 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.485 1.116 . . . . 0.0 108.324 -168.935 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 91.7 t -99.73 112.57 32.49 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.503 1.127 . . . . 0.0 109.33 177.527 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 34.7 m-20 58.1 35.11 24.87 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.576 1.173 . . . . 0.0 109.273 173.21 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . 83.77 12.13 78.1 Favored Glycine 0 CA--C 1.531 1.043 0 O-C-N 124.446 1.091 . . . . 0.0 110.942 171.012 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 32' ' ' PHE . . . . . . . . . . . . . 73.2 m-85 -137.35 145.57 43.5 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.531 0.783 . . . . 0.0 111.009 177.525 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 33' ' ' CYS . . . . . . . . . . . . . 84.0 m -71.33 139.39 49.87 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.478 1.111 . . . . 0.0 108.255 -167.472 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 27.1 t70 -124.95 119.28 28.29 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.497 1.123 . . . . 0.0 109.345 167.981 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 35' ' ' CYS . . . . . . . . . . . . . 56.6 m -105.04 140.69 37.85 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.527 1.142 . . . . 0.0 108.313 -171.085 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 36' ' ' PHE . . . . . . . . . . . . . 32.5 p90 . . . . . 0 C--N 1.325 -0.475 0 O-C-N 124.547 1.154 . . . . 0.0 111.033 -178.75 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 1' ' ' ARG . . . . . . . . . . . . . 1.4 mpt_? . . . . . 0 N--CA 1.453 -0.319 0 N-CA-C 110.363 -0.236 . . . . 0.0 110.363 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.93 150.26 38.23 Favored 'Trans proline' 0 C--N 1.36 1.16 0 O-C-N 124.469 1.773 . . . . 0.0 111.037 -174.185 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 32.0 p -126.95 -164.54 1.36 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.523 1.14 . . . . 0.0 110.413 174.803 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 38.1 p-10 -110.44 6.19 21.97 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.381 1.051 . . . . 0.0 109.28 -174.725 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 5' ' ' ILE . . . . . . . . . . . . . 80.1 mt -81.03 110.98 17.1 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.524 1.14 . . . . 0.0 109.306 -178.284 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 58.1 pttt -69.79 153.75 42.91 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.449 1.093 . . . . 0.0 109.279 -179.022 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 7.6 p -161.99 156.06 21.77 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.517 1.136 . . . . 0.0 108.295 -178.317 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 93.3 p -96.35 -29.28 14.06 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.507 1.13 . . . . 0.0 109.969 169.671 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 38.6 mm-40 -149.57 162.11 40.83 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.531 1.145 . . . . 0.0 110.285 -165.134 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 51.8 m -80.2 -32.62 38.58 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.491 1.119 . . . . 0.0 110.011 -163.838 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 16.0 p90 -71.08 -11.54 61.01 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.508 1.13 . . . . 0.0 110.993 -177.004 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 78.0 mt-30 -75.74 -30.37 59.18 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.519 1.137 . . . . 0.0 110.292 173.062 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 81.0 m -85.4 -40.07 16.88 Favored 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.507 1.129 . . . . 0.0 108.261 -170.182 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 14' ' ' PHE . . . . . 0.591 ' N ' ' CD ' ' A' ' 15' ' ' PRO . 0.1 OUTLIER -56.71 -45.64 99.92 Favored Pre-proline 0 C--N 1.325 -0.496 0 O-C-N 124.554 1.159 . . . . 0.0 110.994 -161.809 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 15' ' ' PRO . . . . . 0.591 ' CD ' ' N ' ' A' ' 14' ' ' PHE . 18.1 Cg_endo -75.0 -29.79 7.85 Favored 'Trans proline' 0 C--N 1.36 1.171 0 O-C-N 124.529 1.805 . . . . 0.0 110.962 -178.678 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 1.1 t -68.66 -36.03 72.66 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.515 0 O-C-N 124.531 1.144 . . . . 0.0 109.271 179.647 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 73.7 m -75.0 -38.14 61.68 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.531 1.144 . . . . 0.0 108.265 -176.502 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 14.8 tmtt? -67.75 -37.75 82.56 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.452 1.095 . . . . 0.0 109.28 179.34 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 44.1 t -71.61 -48.48 47.77 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.537 1.148 . . . . 0.0 109.994 -178.533 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 25.9 tpt180 -82.5 -59.78 2.41 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.529 1.143 . . . . 0.0 110.298 -167.743 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 35.0 m-85 -96.96 -20.49 18.06 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.524 1.14 . . . . 0.0 111.047 -168.015 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 80.61 23.97 59.34 Favored Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.499 1.124 . . . . 0.0 111.037 -176.488 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 94.6 mttt -87.99 157.51 18.9 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.492 0.76 . . . . 0.0 109.347 -178.679 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 8.1 p -74.84 -38.56 61.96 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.532 1.145 . . . . 0.0 110.436 -164.877 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 7.3 t-20 -160.44 164.09 32.54 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.446 1.091 . . . . 0.0 109.255 -178.98 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -151.55 150.9 22.89 Favored Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.471 1.107 . . . . 0.0 110.944 175.547 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 87.1 mtm180 -130.35 151.65 50.62 Favored 'General case' 0 C--N 1.326 -0.429 0 O-C-N 124.47 0.747 . . . . 0.0 110.317 -176.742 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 8.2 t -86.98 97.61 10.81 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.507 1.129 . . . . 0.0 108.316 -171.217 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 92.4 t -95.06 112.43 27.49 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.527 0 O-C-N 124.547 1.154 . . . . 0.0 109.274 -179.998 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 35.7 m-20 57.97 36.85 26.52 Favored 'General case' 0 C--N 1.323 -0.545 0 O-C-N 124.503 1.127 . . . . 0.0 109.23 172.966 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . 84.11 11.65 78.2 Favored Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.447 1.092 . . . . 0.0 110.998 170.221 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 32' ' ' PHE . . . . . . . . . . . . . 47.8 m-85 -140.09 144.78 36.97 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.535 0.786 . . . . 0.0 110.975 177.026 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 33' ' ' CYS . . . . . . . . . . . . . 84.3 m -70.96 143.52 50.83 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.45 1.093 . . . . 0.0 108.332 -169.323 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 10.0 t0 -129.11 111.14 12.63 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.5 1.125 . . . . 0.0 109.291 171.144 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 35' ' ' CYS . . . . . . . . . . . . . 74.5 m -105.39 141.86 36.16 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.53 1.144 . . . . 0.0 108.335 -165.16 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 36' ' ' PHE . . . . . . . . . . . . . 29.5 p90 . . . . . 0 C--N 1.324 -0.502 0 O-C-N 124.476 1.11 . . . . 0.0 111.005 -178.914 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 1' ' ' ARG . . . . . . . . . . . . . 71.1 mtp180 . . . . . 0 N--CA 1.452 -0.337 0 N-CA-C 110.274 -0.269 . . . . 0.0 110.274 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.03 153.47 41.67 Favored 'Trans proline' 0 C--N 1.36 1.177 0 O-C-N 124.476 1.777 . . . . 0.0 111.001 178.672 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 30.5 p -125.6 -164.29 1.29 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.457 1.098 . . . . 0.0 110.357 175.801 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 5.7 p-10 -101.53 -8.54 21.82 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.486 1.116 . . . . 0.0 109.311 -174.348 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 5' ' ' ILE . . . . . . . . . . . . . 77.6 mt -77.85 113.72 17.43 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.442 0 O-C-N 124.417 1.073 . . . . 0.0 109.312 -171.503 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -72.17 157.0 38.56 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.498 1.124 . . . . 0.0 109.316 179.059 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 7' ' ' CYS . . . . . 0.565 ' SG ' ' SG ' ' A' ' 13' ' ' CYS . 3.8 p -161.44 154.87 21.45 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.415 1.072 . . . . 0.0 108.346 -177.649 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 97.0 p -102.92 -20.69 14.15 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.498 1.124 . . . . 0.0 110.012 175.076 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 1.4 mp0 -149.51 159.72 44.07 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.456 1.097 . . . . 0.0 110.363 -169.607 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 58.0 m -79.2 -35.93 40.96 Favored 'General case' 0 C--N 1.324 -0.532 0 O-C-N 124.437 1.086 . . . . 0.0 109.959 -165.054 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 14.9 p90 -75.47 -2.18 27.6 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.498 1.124 . . . . 0.0 111.06 -175.867 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 79.3 mt-30 -76.12 -35.94 59.06 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.546 1.154 . . . . 0.0 110.296 168.099 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 13' ' ' CYS . . . . . 0.565 ' SG ' ' SG ' ' A' ' 7' ' ' CYS . 63.9 m -85.9 -35.14 20.72 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.553 1.158 . . . . 0.0 108.251 -169.441 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 14' ' ' PHE . . . . . 0.594 ' N ' ' CD ' ' A' ' 15' ' ' PRO . 0.1 OUTLIER -59.29 -43.84 97.3 Favored Pre-proline 0 C--N 1.325 -0.483 0 O-C-N 124.445 1.09 . . . . 0.0 111.024 -162.379 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 15' ' ' PRO . . . . . 0.594 ' CD ' ' N ' ' A' ' 14' ' ' PHE . 18.1 Cg_endo -75.12 -35.65 2.94 Favored 'Trans proline' 0 C--N 1.36 1.169 0 O-C-N 124.451 1.764 . . . . 0.0 110.914 178.331 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 0.9 OUTLIER -56.63 -41.07 72.96 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.465 1.103 . . . . 0.0 109.359 176.729 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 98.8 m -75.2 -46.46 33.9 Favored 'General case' 0 C--N 1.326 -0.426 0 O-C-N 124.487 1.117 . . . . 0.0 108.235 -174.543 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 66.4 tttm -63.56 -36.21 83.02 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.481 1.113 . . . . 0.0 109.288 -174.271 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 67.3 m -81.1 -62.08 1.77 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.602 1.189 . . . . 0.0 109.973 -176.647 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 41.1 ttp85 -85.12 -40.03 17.23 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.499 1.124 . . . . 0.0 110.257 -159.073 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 62.2 m-85 -91.6 -26.27 18.79 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.41 1.069 . . . . 0.0 110.962 -178.773 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 82.78 34.34 22.17 Favored Glycine 0 CA--C 1.531 1.043 0 O-C-N 124.515 1.135 . . . . 0.0 110.973 177.957 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 4.7 tptp -95.11 -174.05 3.12 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.523 0.778 . . . . 0.0 109.33 -177.011 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 5.7 p -98.62 -32.94 11.17 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.524 1.14 . . . . 0.0 110.39 -175.37 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 55.6 t30 -163.57 157.94 20.11 Favored 'General case' 0 C--N 1.324 -0.535 0 O-C-N 124.558 1.161 . . . . 0.0 109.344 -177.656 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -147.23 147.75 18.79 Favored Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.517 1.136 . . . . 0.0 111.037 178.99 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 67.2 mtp85 -143.06 159.91 41.37 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.494 0.761 . . . . 0.0 110.182 -179.592 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 8.2 t -92.19 101.42 13.93 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.453 1.096 . . . . 0.0 108.229 -172.252 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 96.7 t -96.01 111.58 26.57 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.436 1.085 . . . . 0.0 109.348 179.451 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 35.0 m-20 58.13 37.04 26.34 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.515 1.135 . . . . 0.0 109.307 172.772 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . 85.17 10.31 78.32 Favored Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.414 1.071 . . . . 0.0 111.004 169.873 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 32' ' ' PHE . . . . . . . . . . . . . 51.3 m-85 -140.05 145.49 37.78 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.457 0.739 . . . . 0.0 111.022 177.496 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 33' ' ' CYS . . . . . . . . . . . . . 85.0 m -71.97 145.29 48.49 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.462 1.101 . . . . 0.0 108.236 -168.388 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 11.2 t0 -134.0 123.17 24.12 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.482 1.113 . . . . 0.0 109.284 172.875 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 35' ' ' CYS . . . . . . . . . . . . . 63.7 m -105.34 134.82 47.81 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.507 1.129 . . . . 0.0 108.272 -172.476 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 36' ' ' PHE . . . . . . . . . . . . . 45.6 p90 . . . . . 0 C--N 1.325 -0.47 0 O-C-N 124.483 1.114 . . . . 0.0 110.998 179.748 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 1' ' ' ARG . . . . . . . . . . . . . 91.4 mtt180 . . . . . 0 N--CA 1.454 -0.24 0 N-CA-C 110.294 -0.261 . . . . 0.0 110.294 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.0 158.12 42.38 Favored 'Trans proline' 0 C--N 1.36 1.16 0 O-C-N 124.432 1.754 . . . . 0.0 111.004 -177.024 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 23.8 p -132.87 -164.19 1.44 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.527 1.142 . . . . 0.0 110.435 177.588 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 5.8 p-10 -107.27 -0.1 22.8 Favored 'General case' 0 C--N 1.324 -0.54 0 O-C-N 124.516 1.135 . . . . 0.0 109.299 -176.097 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 5' ' ' ILE . . . . . . . . . . . . . 77.0 mt -80.86 117.99 27.84 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.524 1.14 . . . . 0.0 109.247 -173.615 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 98.9 mttt -75.59 149.81 38.19 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.422 1.076 . . . . 0.0 109.273 -178.832 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 7' ' ' CYS . . . . . 0.491 ' SG ' ' SG ' ' A' ' 13' ' ' CYS . 6.7 p -158.75 157.23 31.29 Favored 'General case' 0 C--N 1.326 -0.43 0 O-C-N 124.524 1.14 . . . . 0.0 108.285 179.773 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 93.8 p -98.45 -27.89 13.86 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.512 1.133 . . . . 0.0 109.977 169.403 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 61.5 mm-40 -149.21 161.16 42.56 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.508 1.13 . . . . 0.0 110.269 -164.223 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 37.5 m -80.06 -32.4 39.35 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.525 1.14 . . . . 0.0 110.03 -162.94 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 17.3 p90 -70.6 -12.11 61.36 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.466 1.104 . . . . 0.0 111.031 -176.673 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 72.9 mt-30 -74.61 -32.81 62.45 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.493 1.121 . . . . 0.0 110.34 173.159 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 13' ' ' CYS . . . . . 0.491 ' SG ' ' SG ' ' A' ' 7' ' ' CYS . 84.1 m -85.57 -39.16 17.67 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.558 1.162 . . . . 0.0 108.318 -168.588 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 14' ' ' PHE . . . . . 0.596 ' N ' ' CD ' ' A' ' 15' ' ' PRO . 0.1 OUTLIER -57.68 -45.22 99.85 Favored Pre-proline 0 C--N 1.325 -0.5 0 O-C-N 124.509 1.13 . . . . 0.0 111.007 -162.01 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 15' ' ' PRO . . . . . 0.596 ' CD ' ' N ' ' A' ' 14' ' ' PHE . 18.3 Cg_endo -75.0 -29.91 7.72 Favored 'Trans proline' 0 C--N 1.359 1.127 0 O-C-N 124.449 1.762 . . . . 0.0 111.003 -179.158 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 1.1 t -69.01 -36.35 73.45 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.569 1.168 . . . . 0.0 109.288 -179.205 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 91.6 m -74.94 -37.81 61.9 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.502 1.126 . . . . 0.0 108.245 -177.484 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 28.4 ttpp -70.05 -34.43 73.21 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.449 1.093 . . . . 0.0 109.282 -178.834 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 43.6 t -74.79 -52.6 11.04 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.507 1.13 . . . . 0.0 110.026 -178.633 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 40.2 ttm180 -82.78 -57.6 3.24 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.556 1.16 . . . . 0.0 110.333 -164.901 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 34.8 m-85 -95.69 -21.0 18.47 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.456 1.098 . . . . 0.0 110.971 -170.707 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 78.96 35.98 29.5 Favored Glycine 0 CA--C 1.531 1.041 0 O-C-N 124.486 1.116 . . . . 0.0 110.962 -177.951 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 9.8 mptt -91.65 158.25 16.51 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.506 0.768 . . . . 0.0 109.322 178.893 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 6.9 p -75.02 -35.52 61.96 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.532 1.145 . . . . 0.0 110.371 -169.301 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 7.4 t-20 -159.62 164.65 33.95 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.578 1.174 . . . . 0.0 109.296 179.307 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -152.23 147.28 16.83 Favored Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.479 1.112 . . . . 0.0 110.985 176.683 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 72.5 mtp85 -138.5 153.06 48.77 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.507 0.769 . . . . 0.0 110.323 -175.826 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 7.9 t -88.66 103.12 15.64 Favored 'General case' 0 C--N 1.324 -0.53 0 O-C-N 124.531 1.145 . . . . 0.0 108.34 -169.148 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 98.0 t -98.98 110.37 26.14 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.506 1.129 . . . . 0.0 109.295 178.669 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 36.2 m-20 58.47 37.45 25.63 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.546 1.154 . . . . 0.0 109.343 170.997 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . 86.84 8.35 76.42 Favored Glycine 0 CA--C 1.53 1.031 0 O-C-N 124.435 1.085 . . . . 0.0 110.962 169.275 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 32' ' ' PHE . . . . . . . . . . . . . 46.8 m-85 -136.28 144.95 45.04 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.533 0.784 . . . . 0.0 110.969 176.698 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 33' ' ' CYS . . . . . . . . . . . . . 87.9 m -71.88 140.26 49.2 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.47 1.106 . . . . 0.0 108.29 -172.318 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 10.4 t70 -124.79 116.05 21.67 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.5 1.125 . . . . 0.0 109.304 171.488 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 35' ' ' CYS . . . . . . . . . . . . . 86.2 m -103.95 137.26 42.19 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.529 1.143 . . . . 0.0 108.376 -169.521 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 36' ' ' PHE . . . . . . . . . . . . . 44.4 p90 . . . . . 0 C--N 1.324 -0.503 0 O-C-N 124.447 1.092 . . . . 0.0 111.025 -179.562 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 1' ' ' ARG . . . . . . . . . . . . . 9.8 ptp85 . . . . . 0 N--CA 1.454 -0.248 0 N-CA-C 110.298 -0.26 . . . . 0.0 110.298 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.9 146.41 33.05 Favored 'Trans proline' 0 C--N 1.36 1.169 0 O-C-N 124.431 1.753 . . . . 0.0 111.011 164.132 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 15.0 p -132.52 -160.02 1.01 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.412 1.07 . . . . 0.0 110.439 -179.567 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 19.5 p-10 -125.92 20.01 7.72 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.551 1.157 . . . . 0.0 109.252 173.29 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 5' ' ' ILE . . . . . . . . . . . . . 49.9 mt -75.15 108.78 7.28 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.517 1.136 . . . . 0.0 109.297 178.488 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 58.0 pttt -66.6 148.11 52.34 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.505 1.128 . . . . 0.0 109.308 -170.656 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 7' ' ' CYS . . . . . 0.401 ' SG ' ' SG ' ' A' ' 13' ' ' CYS . 11.3 p -159.14 156.12 28.46 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.536 1.147 . . . . 0.0 108.275 178.41 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 90.9 p -97.52 -27.82 14.25 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.576 1.173 . . . . 0.0 110.01 170.142 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 4.5 mm-40 -149.9 163.51 37.86 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.503 1.127 . . . . 0.0 110.349 -166.945 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 58.1 m -80.05 -33.61 38.89 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.485 1.115 . . . . 0.0 110.027 -164.285 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 16.3 p90 -71.2 -10.02 59.07 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.586 1.178 . . . . 0.0 110.986 -176.584 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 79.2 mt-30 -77.31 -30.03 53.92 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.485 1.116 . . . . 0.0 110.272 173.199 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 13' ' ' CYS . . . . . 0.401 ' SG ' ' SG ' ' A' ' 7' ' ' CYS . 68.3 m -85.53 -35.77 20.91 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.512 1.133 . . . . 0.0 108.353 -172.334 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 14' ' ' PHE . . . . . 0.584 ' N ' ' CD ' ' A' ' 15' ' ' PRO . 0.1 OUTLIER -56.29 -45.5 99.91 Favored Pre-proline 0 C--N 1.326 -0.454 0 O-C-N 124.389 1.056 . . . . 0.0 111.034 -163.321 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 15' ' ' PRO . . . . . 0.584 ' CD ' ' N ' ' A' ' 14' ' ' PHE . 18.0 Cg_endo -75.06 -32.87 4.95 Favored 'Trans proline' 0 C--N 1.36 1.135 0 O-C-N 124.514 1.797 . . . . 0.0 111.023 -179.871 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 0.9 OUTLIER -61.26 -39.15 81.62 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.55 1.157 . . . . 0.0 109.25 177.27 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 83.5 m -75.16 -39.85 60.01 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.534 1.146 . . . . 0.0 108.3 -174.009 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 28.4 ttpp -69.08 -32.4 71.81 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.463 1.102 . . . . 0.0 109.288 -178.261 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 45.6 t -74.51 -50.85 16.56 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.512 1.133 . . . . 0.0 110.054 179.903 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 73.0 ttt180 -82.24 -59.99 2.36 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.487 1.117 . . . . 0.0 110.287 -166.66 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 62.2 m-85 -95.52 -18.96 20.21 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.512 1.133 . . . . 0.0 110.928 -169.598 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 78.79 25.47 60.31 Favored Glycine 0 CA--C 1.531 1.068 0 O-C-N 124.473 1.108 . . . . 0.0 110.955 -178.545 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 55.4 mttp -88.47 164.01 15.67 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.58 0.812 . . . . 0.0 109.322 -178.926 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 1.3 p -74.63 -37.81 62.68 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.533 1.145 . . . . 0.0 110.425 -167.003 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 6.1 t-20 -164.52 165.97 20.8 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.495 1.122 . . . . 0.0 109.328 -173.205 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -144.61 161.17 28.01 Favored Glycine 0 CA--C 1.53 1.016 0 O-C-N 124.425 1.078 . . . . 0.0 110.998 176.81 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 16.7 ptm180 -141.91 147.72 37.53 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.51 0.77 . . . . 0.0 110.324 -178.183 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 5.7 t -89.88 99.59 12.57 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.508 1.13 . . . . 0.0 108.319 -168.881 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 83.3 t -94.88 110.01 23.2 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.511 1.132 . . . . 0.0 109.294 -179.239 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 32.1 m120 53.48 40.13 30.95 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.427 1.08 . . . . 0.0 109.303 176.049 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . 83.6 13.77 74.98 Favored Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.49 1.119 . . . . 0.0 111.026 168.606 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 32' ' ' PHE . . . . . . . . . . . . . 72.1 m-85 -139.79 142.54 36.7 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.532 0.784 . . . . 0.0 110.978 177.441 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 33' ' ' CYS . . . . . . . . . . . . . 84.0 m -71.69 137.44 47.81 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.552 1.157 . . . . 0.0 108.307 -168.905 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 12.5 t70 -124.93 115.34 20.44 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.474 1.109 . . . . 0.0 109.271 166.358 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 35' ' ' CYS . . . . . . . . . . . . . 66.8 m -94.92 151.59 19.07 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.511 1.132 . . . . 0.0 108.328 -171.659 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 36' ' ' PHE . . . . . . . . . . . . . 52.9 p90 . . . . . 0 C--N 1.323 -0.551 0 O-C-N 124.532 1.145 . . . . 0.0 111.04 177.375 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 1' ' ' ARG . . . . . . . . . . . . . 69.5 mtt85 . . . . . 0 N--CA 1.453 -0.283 0 N-CA-C 110.322 -0.251 . . . . 0.0 110.322 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.02 148.62 35.44 Favored 'Trans proline' 0 C--N 1.36 1.15 0 O-C-N 124.534 1.808 . . . . 0.0 110.965 -179.864 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 31.9 p -126.54 -165.06 1.4 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.452 1.095 . . . . 0.0 110.38 177.994 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 12.4 p-10 -102.06 -6.1 23.75 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.414 1.071 . . . . 0.0 109.354 -173.974 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 5' ' ' ILE . . . . . . . . . . . . . 78.1 mt -76.73 120.89 27.84 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.515 0 O-C-N 124.556 1.16 . . . . 0.0 109.278 -172.032 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 98.8 mttt -78.37 152.16 32.44 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.494 1.122 . . . . 0.0 109.317 -177.484 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 7' ' ' CYS . . . . . 0.576 ' SG ' ' SG ' ' A' ' 13' ' ' CYS . 7.5 p -158.83 158.21 33.05 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.479 1.112 . . . . 0.0 108.307 179.027 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 89.5 p -99.59 -25.74 14.32 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.489 1.118 . . . . 0.0 110.061 169.894 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 1.2 mp0 -149.07 161.35 42.13 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.426 1.079 . . . . 0.0 110.284 -165.495 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 66.1 m -80.0 -34.48 38.46 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.517 1.135 . . . . 0.0 109.981 -165.008 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 21.4 p90 -72.4 -8.75 56.62 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.444 1.09 . . . . 0.0 111.04 -177.246 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 90.9 mt-30 -78.2 -29.76 48.61 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.497 1.123 . . . . 0.0 110.314 172.458 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 13' ' ' CYS . . . . . 0.576 ' SG ' ' SG ' ' A' ' 7' ' ' CYS . 72.7 m -85.36 -39.98 17.02 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.628 1.205 . . . . 0.0 108.39 -171.19 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 14' ' ' PHE . . . . . 0.59 ' N ' ' CD ' ' A' ' 15' ' ' PRO . 0.1 OUTLIER -56.8 -45.59 99.93 Favored Pre-proline 0 C--N 1.325 -0.48 0 O-C-N 124.441 1.088 . . . . 0.0 110.995 -162.351 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 15' ' ' PRO . . . . . 0.59 ' CD ' ' N ' ' A' ' 14' ' ' PHE . 18.6 Cg_endo -75.0 -29.81 7.83 Favored 'Trans proline' 0 C--N 1.36 1.158 0 O-C-N 124.502 1.791 . . . . 0.0 111.035 -179.147 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 1.2 t -68.02 -35.7 72.76 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.492 1.12 . . . . 0.0 109.294 179.089 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 79.9 m -74.86 -38.55 61.91 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.56 1.162 . . . . 0.0 108.324 -176.295 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 2.8 tmtm? -68.38 -35.71 78.09 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.494 1.121 . . . . 0.0 109.286 179.649 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 46.5 t -72.08 -49.6 35.09 Favored 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.53 1.144 . . . . 0.0 110.016 -179.142 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 51.2 tpt85 -82.32 -57.88 3.18 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.542 1.151 . . . . 0.0 110.251 -166.92 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 52.2 m-85 -98.85 -21.74 16.17 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.565 1.166 . . . . 0.0 111.033 -168.749 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 81.5 24.16 56.99 Favored Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.479 1.112 . . . . 0.0 110.978 -176.088 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 56.0 mttp -88.49 164.41 15.46 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.443 0.731 . . . . 0.0 109.271 -179.345 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 8.8 p -86.61 -31.46 21.14 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.493 1.121 . . . . 0.0 110.413 -159.088 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 10.9 t-20 -161.33 162.02 30.71 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.514 1.134 . . . . 0.0 109.329 -176.716 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -142.09 153.0 24.05 Favored Glycine 0 CA--C 1.531 1.061 0 O-C-N 124.484 1.115 . . . . 0.0 110.988 -179.926 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 10.8 tpp180 -140.02 136.76 34.04 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.543 0.79 . . . . 0.0 110.332 -179.081 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 6.8 t -85.04 97.14 9.66 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.406 1.066 . . . . 0.0 108.24 -171.534 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 95.4 t -94.96 110.69 24.33 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.504 1.127 . . . . 0.0 109.318 -179.943 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 35.8 m-20 58.57 35.78 24.76 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.501 1.126 . . . . 0.0 109.285 171.825 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . 85.42 11.8 74.32 Favored Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.469 1.105 . . . . 0.0 111.0 170.421 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 32' ' ' PHE . . . . . . . . . . . . . 58.6 m-85 -134.46 144.23 47.99 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.526 0.78 . . . . 0.0 110.997 175.401 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 33' ' ' CYS . . . . . . . . . . . . . 87.6 m -71.8 139.77 49.12 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.522 1.139 . . . . 0.0 108.295 -173.375 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 11.0 t0 -124.93 115.29 20.37 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.499 1.124 . . . . 0.0 109.276 170.185 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 35' ' ' CYS . . . . . . . . . . . . . 70.8 m -107.05 141.95 37.47 Favored 'General case' 0 C--N 1.326 -0.415 0 O-C-N 124.467 1.105 . . . . 0.0 108.326 -166.218 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 36' ' ' PHE . . . . . . . . . . . . . 20.0 p90 . . . . . 0 C--N 1.324 -0.522 0 O-C-N 124.451 1.094 . . . . 0.0 110.991 -179.097 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 1' ' ' ARG . . . . . . . . . . . . . 79.6 mtp180 . . . . . 0 N--CA 1.452 -0.348 0 N-CA-C 110.392 -0.225 . . . . 0.0 110.392 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.01 152.56 40.88 Favored 'Trans proline' 0 C--N 1.36 1.143 0 O-C-N 124.51 1.795 . . . . 0.0 110.987 167.879 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 17.4 p -131.81 -164.24 1.43 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.521 1.138 . . . . 0.0 110.406 -179.861 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 16.6 p-10 -112.75 3.92 16.77 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.457 1.098 . . . . 0.0 109.302 -177.345 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 5' ' ' ILE . . . . . . . . . . . . . 54.7 mt -75.11 113.71 14.23 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.559 1.162 . . . . 0.0 109.306 -174.666 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 84.5 tttt -74.55 144.86 43.84 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.553 1.158 . . . . 0.0 109.333 -173.393 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 7' ' ' CYS . . . . . 0.653 ' SG ' ' SG ' ' A' ' 13' ' ' CYS . 6.0 p -156.32 154.97 31.45 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.521 1.138 . . . . 0.0 108.313 -177.744 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 93.2 p -97.89 -27.69 14.16 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.415 1.072 . . . . 0.0 109.979 171.876 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 4.0 mm-40 -149.72 161.7 41.71 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.568 1.168 . . . . 0.0 110.327 -162.028 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 29.8 m -77.03 -35.68 56.76 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.466 1.104 . . . . 0.0 109.992 -164.073 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 19.1 p90 -70.19 -10.9 60.28 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.452 1.095 . . . . 0.0 110.989 -173.965 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 62.4 mt-30 -75.7 -36.58 59.97 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.553 1.158 . . . . 0.0 110.314 172.016 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 13' ' ' CYS . . . . . 0.653 ' SG ' ' SG ' ' A' ' 7' ' ' CYS . 80.8 m -85.52 -39.9 16.93 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.533 1.146 . . . . 0.0 108.31 -169.865 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 14' ' ' PHE . . . . . 0.602 ' N ' ' CD ' ' A' ' 15' ' ' PRO . 0.1 OUTLIER -57.4 -45.28 99.9 Favored Pre-proline 0 C--N 1.324 -0.522 0 O-C-N 124.472 1.108 . . . . 0.0 111.034 -161.317 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 15' ' ' PRO . . . . . 0.602 ' CD ' ' N ' ' A' ' 14' ' ' PHE . 18.5 Cg_endo -74.98 -29.7 7.98 Favored 'Trans proline' 0 C--N 1.36 1.139 0 O-C-N 124.562 1.822 . . . . 0.0 111.013 -178.166 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 1.0 OUTLIER -67.78 -36.04 74.54 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.488 1.118 . . . . 0.0 109.255 178.311 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 63.4 m -74.51 -44.96 48.86 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.536 1.148 . . . . 0.0 108.285 -179.405 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 1.1 tmtp? -64.07 -36.06 82.78 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.483 1.114 . . . . 0.0 109.244 -176.045 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 42.2 t -78.6 -62.15 1.78 Allowed 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.531 1.144 . . . . 0.0 109.97 -177.309 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 4.3 tmt_? -83.15 -46.65 12.5 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.592 1.182 . . . . 0.0 110.28 -161.167 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 69.8 m-85 -89.8 -21.71 22.48 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.531 1.144 . . . . 0.0 110.989 -175.584 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 78.65 28.27 55.37 Favored Glycine 0 CA--C 1.53 0.989 0 O-C-N 124.5 1.125 . . . . 0.0 111.028 173.328 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 2.3 mtpp -90.01 173.98 7.91 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.453 0.737 . . . . 0.0 109.271 -178.027 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 1.4 p -74.84 -37.29 62.28 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.497 1.123 . . . . 0.0 110.409 -178.168 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 6.0 t-20 -163.36 167.66 21.45 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.478 1.111 . . . . 0.0 109.297 -174.881 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -154.13 154.56 25.59 Favored Glycine 0 CA--C 1.529 0.934 0 O-C-N 124.48 1.112 . . . . 0.0 111.057 173.318 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 52.1 mtp180 -143.17 163.7 32.19 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.497 0.763 . . . . 0.0 110.313 179.914 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 9.0 t -90.84 105.47 17.85 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.469 1.106 . . . . 0.0 108.316 -173.487 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 90.4 t -101.37 112.76 35.44 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.488 1.118 . . . . 0.0 109.291 179.872 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 35.0 m-20 58.29 35.97 25.28 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.521 1.138 . . . . 0.0 109.314 173.207 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . 85.43 8.72 80.48 Favored Glycine 0 CA--C 1.531 1.048 0 O-C-N 124.513 1.133 . . . . 0.0 111.043 170.249 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 32' ' ' PHE . . . . . . . . . . . . . 72.0 m-85 -139.39 144.5 38.18 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.562 0.801 . . . . 0.0 110.959 178.636 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 33' ' ' CYS . . . . . . . . . . . . . 96.5 m -72.42 138.28 47.03 Favored 'General case' 0 C--N 1.324 -0.535 0 O-C-N 124.535 1.147 . . . . 0.0 108.229 -168.162 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 11.0 t70 -129.56 128.49 42.86 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.424 1.078 . . . . 0.0 109.277 170.168 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 35' ' ' CYS . . . . . . . . . . . . . 32.4 m -101.58 147.02 26.9 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.466 1.104 . . . . 0.0 108.277 -176.31 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 36' ' ' PHE . . . . . . . . . . . . . 50.9 p90 . . . . . 0 C--N 1.324 -0.505 0 O-C-N 124.543 1.152 . . . . 0.0 111.041 175.779 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 1' ' ' ARG . . . . . . . . . . . . . 68.7 mtt85 . . . . . 0 N--CA 1.453 -0.317 0 N-CA-C 110.376 -0.231 . . . . 0.0 110.376 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.01 154.52 42.49 Favored 'Trans proline' 0 C--N 1.36 1.163 0 O-C-N 124.463 1.77 . . . . 0.0 111.033 169.528 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 31.8 p -124.99 -164.67 1.3 Allowed 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.374 1.046 . . . . 0.0 110.417 176.254 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 13.2 p-10 -102.58 -4.75 24.77 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.454 1.096 . . . . 0.0 109.336 -174.345 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 5' ' ' ILE . . . . . . . . . . . . . 78.5 mt -78.14 110.1 13.49 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.465 1.103 . . . . 0.0 109.361 -171.987 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 57.7 pttt -70.49 155.18 41.05 Favored 'General case' 0 C--N 1.324 -0.54 0 O-C-N 124.563 1.164 . . . . 0.0 109.247 178.174 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 7' ' ' CYS . . . . . 0.68 ' SG ' ' SG ' ' A' ' 13' ' ' CYS . 5.7 p -161.57 155.07 21.43 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.445 1.09 . . . . 0.0 108.32 -176.83 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 93.3 p -101.38 -21.94 14.7 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.446 1.091 . . . . 0.0 110.02 174.21 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -151.55 158.8 44.04 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.456 1.098 . . . . 0.0 110.254 -165.459 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 63.3 m -80.41 -32.89 37.35 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.529 1.143 . . . . 0.0 110.0 -164.257 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 13.1 p90 -71.33 -9.83 58.77 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.437 1.085 . . . . 0.0 111.002 -177.175 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 66.0 mt-30 -75.24 -37.15 61.16 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.522 1.139 . . . . 0.0 110.301 170.77 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 13' ' ' CYS . . . . . 0.68 ' SG ' ' SG ' ' A' ' 7' ' ' CYS . 71.4 m -85.63 -40.15 16.53 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.501 1.126 . . . . 0.0 108.324 -168.517 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 14' ' ' PHE . . . . . 0.597 ' N ' ' CD ' ' A' ' 15' ' ' PRO . 0.1 OUTLIER -58.76 -44.5 99.05 Favored Pre-proline 0 C--N 1.325 -0.473 0 O-C-N 124.452 1.095 . . . . 0.0 111.038 -161.749 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 15' ' ' PRO . . . . . 0.597 ' CD ' ' N ' ' A' ' 14' ' ' PHE . 18.5 Cg_endo -75.01 -29.75 7.89 Favored 'Trans proline' 0 C--N 1.361 1.219 0 O-C-N 124.517 1.799 . . . . 0.0 111.018 -179.701 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 1.1 t -67.64 -35.45 72.94 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.518 0 O-C-N 124.482 1.114 . . . . 0.0 109.271 178.951 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 70.3 m -73.27 -43.24 61.41 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.479 1.112 . . . . 0.0 108.236 -179.602 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 13.9 ttmt -68.0 -32.49 72.93 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.556 1.16 . . . . 0.0 109.327 -176.055 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 41.0 t -78.75 -64.34 1.2 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.484 1.115 . . . . 0.0 110.045 -178.026 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -85.09 -38.04 19.57 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.505 1.128 . . . . 0.0 110.312 -159.412 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 82.1 m-85 -98.35 -25.74 14.73 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.474 1.109 . . . . 0.0 110.97 -176.47 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 80.71 27.72 49.72 Favored Glycine 0 CA--C 1.53 0.971 0 O-C-N 124.527 1.142 . . . . 0.0 111.063 174.49 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 2.2 mtpp -90.28 168.73 11.69 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.456 0.739 . . . . 0.0 109.249 -176.609 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 1.9 p -76.47 -31.22 57.66 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.505 1.128 . . . . 0.0 110.425 -170.694 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 55.9 t30 -163.82 162.04 23.51 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.479 1.112 . . . . 0.0 109.26 -177.056 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -142.31 162.35 27.24 Favored Glycine 0 CA--C 1.53 1.031 0 O-C-N 124.474 1.109 . . . . 0.0 110.998 175.471 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 2.2 tpt180 -154.64 144.98 22.05 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.576 0.81 . . . . 0.0 110.291 -178.755 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 13.5 t -83.78 99.02 10.02 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.485 1.115 . . . . 0.0 108.247 -177.13 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 81.1 t -94.97 110.0 23.22 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.39 1.056 . . . . 0.0 109.336 -178.291 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 32.2 m120 53.51 42.59 31.92 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.557 1.161 . . . . 0.0 109.395 175.344 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . 86.45 7.94 78.42 Favored Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.458 1.099 . . . . 0.0 111.011 166.097 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 32' ' ' PHE . . . . . . . . . . . . . 43.7 m-85 -140.07 144.38 36.81 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.556 0.797 . . . . 0.0 111.077 177.659 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 33' ' ' CYS . . . . . . . . . . . . . 83.8 m -72.66 142.86 48.28 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.524 1.14 . . . . 0.0 108.29 -168.578 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 11.5 t70 -133.11 125.32 29.29 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.531 1.144 . . . . 0.0 109.301 172.873 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 35' ' ' CYS . . . . . . . . . . . . . 58.6 m -108.08 139.36 42.85 Favored 'General case' 0 C--N 1.324 -0.536 0 O-C-N 124.565 1.165 . . . . 0.0 108.348 -172.364 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 36' ' ' PHE . . . . . . . . . . . . . 31.3 p90 . . . . . 0 C--N 1.324 -0.523 0 O-C-N 124.478 1.111 . . . . 0.0 111.087 -179.407 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 1' ' ' ARG . . . . . . . . . . . . . 11.5 ptm180 . . . . . 0 N--CA 1.453 -0.285 0 N-CA-C 110.277 -0.268 . . . . 0.0 110.277 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.05 162.81 36.4 Favored 'Trans proline' 0 C--N 1.36 1.163 0 O-C-N 124.527 1.804 . . . . 0.0 110.983 169.168 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 16.3 p -131.16 -161.34 1.12 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.495 1.122 . . . . 0.0 110.39 172.275 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 4.7 p-10 -124.79 20.08 8.51 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.522 1.139 . . . . 0.0 109.267 177.335 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 5' ' ' ILE . . . . . . . . . . . . . 83.5 mt -87.28 113.79 25.29 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.588 1.18 . . . . 0.0 109.378 177.038 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 58.3 tttm -75.64 144.94 41.42 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.492 1.12 . . . . 0.0 109.272 -178.696 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 7' ' ' CYS . . . . . 0.637 ' SG ' ' SG ' ' A' ' 13' ' ' CYS . 5.2 p -151.9 153.6 34.47 Favored 'General case' 0 C--N 1.324 -0.54 0 O-C-N 124.549 1.155 . . . . 0.0 108.335 -176.819 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 60.6 p -97.7 -26.26 14.81 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.459 1.099 . . . . 0.0 110.036 172.693 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 4.0 mp0 -149.57 163.97 36.4 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.502 1.126 . . . . 0.0 110.286 -169.694 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 67.4 m -80.29 -31.91 38.19 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.554 1.159 . . . . 0.0 110.063 -163.33 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 16.9 p90 -70.42 -11.34 60.85 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.468 1.105 . . . . 0.0 111.002 -176.633 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 78.5 mt-30 -76.18 -32.34 58.98 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.447 1.092 . . . . 0.0 110.39 172.621 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 13' ' ' CYS . . . . . 0.637 ' SG ' ' SG ' ' A' ' 7' ' ' CYS . 71.6 m -85.38 -40.06 16.9 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.509 1.13 . . . . 0.0 108.282 -169.648 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 14' ' ' PHE . . . . . 0.6 ' N ' ' CD ' ' A' ' 15' ' ' PRO . 0.1 OUTLIER -58.22 -44.82 99.59 Favored Pre-proline 0 C--N 1.325 -0.495 0 O-C-N 124.488 1.117 . . . . 0.0 111.032 -161.711 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 15' ' ' PRO . . . . . 0.6 ' CD ' ' N ' ' A' ' 14' ' ' PHE . 18.0 Cg_endo -75.04 -29.84 7.75 Favored 'Trans proline' 0 C--N 1.36 1.161 0 O-C-N 124.506 1.793 . . . . 0.0 110.96 -179.29 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 1.1 t -67.9 -35.58 72.64 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.479 1.112 . . . . 0.0 109.299 178.948 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 99.2 m -75.01 -41.6 59.13 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.551 1.157 . . . . 0.0 108.311 -178.737 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 86.7 tttt -66.88 -33.77 76.33 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.538 1.149 . . . . 0.0 109.26 -177.683 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 41.5 t -77.38 -59.12 2.91 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.553 1.158 . . . . 0.0 109.961 -178.308 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 4.4 tmt_? -84.41 -50.33 7.88 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.553 1.158 . . . . 0.0 110.333 -161.758 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 66.0 m-85 -88.39 -24.5 23.06 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.501 1.125 . . . . 0.0 110.925 -175.519 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 79.6 26.85 55.86 Favored Glycine 0 CA--C 1.53 0.973 0 O-C-N 124.497 1.123 . . . . 0.0 111.001 179.472 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 25.2 mmtt -88.05 169.8 11.64 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.453 0.737 . . . . 0.0 109.322 -176.755 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 1.4 p -74.92 -37.18 62.11 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.557 1.16 . . . . 0.0 110.412 -174.929 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 5.9 t-20 -162.34 166.62 25.0 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.516 1.135 . . . . 0.0 109.215 -173.268 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -146.81 162.76 28.57 Favored Glycine 0 CA--C 1.531 1.036 0 O-C-N 124.506 1.128 . . . . 0.0 111.024 176.77 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 56.0 ttp180 -150.48 144.05 25.13 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.524 0.779 . . . . 0.0 110.326 -177.543 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 6.9 t -81.95 99.37 9.06 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.536 1.148 . . . . 0.0 108.287 -176.281 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 73.1 t -94.9 109.98 23.16 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.444 0 O-C-N 124.474 1.108 . . . . 0.0 109.264 -179.658 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 31.7 m120 53.46 41.99 32.03 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.428 1.08 . . . . 0.0 109.317 176.41 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . 87.81 4.98 78.47 Favored Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.476 1.11 . . . . 0.0 110.998 166.289 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 32' ' ' PHE . . . . . . . . . . . . . 29.7 m-85 -140.14 145.71 37.9 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.507 0.769 . . . . 0.0 110.997 179.479 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 33' ' ' CYS . . . . . . . . . . . . . 75.2 m -74.71 141.54 44.49 Favored 'General case' 0 C--N 1.326 -0.421 0 O-C-N 124.51 1.132 . . . . 0.0 108.323 -165.433 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 10.2 t70 -128.41 128.12 43.86 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.453 1.095 . . . . 0.0 109.323 168.083 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 35' ' ' CYS . . . . . . . . . . . . . 58.7 m -106.65 139.85 40.45 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.517 1.135 . . . . 0.0 108.281 -171.604 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 36' ' ' PHE . . . . . . . . . . . . . 31.3 p90 . . . . . 0 C--N 1.324 -0.506 0 O-C-N 124.408 1.067 . . . . 0.0 111.064 -178.939 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 1' ' ' ARG . . . . . . . . . . . . . 99.2 mtt180 . . . . . 0 N--CA 1.453 -0.304 0 N-CA-C 110.303 -0.258 . . . . 0.0 110.303 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.93 158.72 42.28 Favored 'Trans proline' 0 C--N 1.36 1.17 0 O-C-N 124.496 1.787 . . . . 0.0 111.05 177.319 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 51.0 p -126.41 -162.36 1.13 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.501 1.126 . . . . 0.0 110.319 178.29 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 17.0 p-10 -109.12 -2.1 18.32 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.528 1.143 . . . . 0.0 109.331 175.998 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 5' ' ' ILE . . . . . . . . . . . . . 75.5 mt -74.88 117.23 18.74 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.503 1.127 . . . . 0.0 109.26 -175.128 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 51.9 tttm -80.03 146.91 31.72 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.437 1.086 . . . . 0.0 109.302 -177.661 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 7' ' ' CYS . . . . . 0.615 ' SG ' ' SG ' ' A' ' 13' ' ' CYS . 8.4 p -153.77 157.5 39.51 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.528 1.143 . . . . 0.0 108.296 -178.401 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 92.3 p -96.93 -27.75 14.51 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.5 1.125 . . . . 0.0 110.086 169.797 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 30.6 mm-40 -149.18 161.18 42.5 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.487 1.117 . . . . 0.0 110.3 -162.507 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 58.1 m -79.4 -33.7 42.49 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.444 1.09 . . . . 0.0 110.05 -163.88 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 18.1 p90 -70.74 -11.43 60.95 Favored 'General case' 0 C--N 1.326 -0.43 0 O-C-N 124.468 1.105 . . . . 0.0 110.969 -176.385 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 74.6 mt-30 -75.97 -32.66 59.6 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.425 1.078 . . . . 0.0 110.322 173.265 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 13' ' ' CYS . . . . . 0.615 ' SG ' ' SG ' ' A' ' 7' ' ' CYS . 77.5 m -85.73 -34.19 21.28 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.49 1.119 . . . . 0.0 108.254 -170.157 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 14' ' ' PHE . . . . . 0.588 ' N ' ' CD ' ' A' ' 15' ' ' PRO . 0.1 OUTLIER -58.33 -45.12 99.73 Favored Pre-proline 0 C--N 1.325 -0.5 0 O-C-N 124.554 1.159 . . . . 0.0 111.05 -162.915 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 15' ' ' PRO . . . . . 0.588 ' CD ' ' N ' ' A' ' 14' ' ' PHE . 18.2 Cg_endo -75.0 -32.96 4.95 Favored 'Trans proline' 0 C--N 1.361 1.185 0 O-C-N 124.489 1.784 . . . . 0.0 110.996 179.735 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 0.9 OUTLIER -60.15 -40.36 83.23 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.548 1.155 . . . . 0.0 109.336 176.206 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 68.9 m -75.22 -40.72 58.85 Favored 'General case' 0 C--N 1.326 -0.426 0 O-C-N 124.394 1.059 . . . . 0.0 108.362 -174.354 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 14.7 tmtt? -68.99 -33.16 73.22 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.537 1.148 . . . . 0.0 109.355 -176.949 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 41.7 t -77.71 -57.2 3.94 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.531 1.144 . . . . 0.0 109.98 -177.405 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 41.2 ttm180 -82.59 -53.95 5.55 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.48 1.113 . . . . 0.0 110.284 -164.034 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 90.7 m-85 -94.25 -17.34 22.76 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.481 1.113 . . . . 0.0 110.972 -171.772 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 77.41 27.65 59.13 Favored Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.529 1.143 . . . . 0.0 111.08 173.905 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 2.9 mtpp -86.73 171.18 11.12 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.52 0.776 . . . . 0.0 109.252 -178.697 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 1.3 p -74.96 -37.56 61.92 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.55 1.156 . . . . 0.0 110.336 -175.514 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 30.5 t-20 -163.12 165.62 24.4 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.474 1.109 . . . . 0.0 109.323 -171.937 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -143.33 162.19 27.61 Favored Glycine 0 CA--C 1.53 0.983 0 O-C-N 124.524 1.14 . . . . 0.0 110.976 176.797 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 9.7 ptp180 -149.4 158.47 44.2 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.454 0.738 . . . . 0.0 110.272 177.039 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 4.7 t -94.32 105.66 17.64 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.554 1.159 . . . . 0.0 108.277 -172.586 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 94.8 t -96.88 109.93 23.99 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.502 1.126 . . . . 0.0 109.313 177.856 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 35.5 m-20 57.85 35.62 25.59 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.42 1.075 . . . . 0.0 109.246 171.837 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . 88.34 8.76 70.78 Favored Glycine 0 CA--C 1.53 1.029 0 O-C-N 124.494 1.121 . . . . 0.0 110.997 169.694 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 32' ' ' PHE . . . . . . . . . . . . . 49.8 m-85 -139.99 146.06 38.62 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.511 0.771 . . . . 0.0 111.021 177.624 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 33' ' ' CYS . . . . . . . . . . . . . 89.1 m -74.31 147.63 42.11 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.508 1.13 . . . . 0.0 108.325 -163.894 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 13.7 t0 -138.51 127.62 24.14 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.534 1.146 . . . . 0.0 109.315 169.758 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 35' ' ' CYS . . . . . . . . . . . . . 56.1 m -101.43 146.14 28.02 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.45 1.093 . . . . 0.0 108.346 -172.043 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 36' ' ' PHE . . . . . . . . . . . . . 45.6 p90 . . . . . 0 C--N 1.324 -0.53 0 O-C-N 124.544 1.152 . . . . 0.0 111.022 177.04 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 1' ' ' ARG . . . . . . . . . . . . . 39.4 ptt180 . . . . . 0 N--CA 1.452 -0.327 0 N-CA-C 110.322 -0.251 . . . . 0.0 110.322 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.02 159.85 40.8 Favored 'Trans proline' 0 C--N 1.359 1.13 0 O-C-N 124.568 1.826 . . . . 0.0 110.986 169.578 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 20.3 p -132.47 -163.9 1.4 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.513 1.133 . . . . 0.0 110.361 175.624 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 39.2 p-10 -114.61 9.33 16.53 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.456 1.097 . . . . 0.0 109.237 -177.606 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 5' ' ' ILE . . . . . . . . . . . . . 83.3 mt -84.48 119.05 32.77 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.528 0 O-C-N 124.511 1.132 . . . . 0.0 109.301 -178.956 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 52.8 mtpt -78.22 151.46 33.12 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.533 1.146 . . . . 0.0 109.348 -177.379 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 7' ' ' CYS . . . . . 0.482 ' SG ' ' SG ' ' A' ' 13' ' ' CYS . 6.8 p -159.1 157.61 31.35 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.487 1.117 . . . . 0.0 108.305 -178.827 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 92.3 p -97.49 -28.34 14.02 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.474 1.109 . . . . 0.0 110.048 169.05 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 31.0 mm-40 -149.23 160.67 43.17 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.52 1.137 . . . . 0.0 110.342 -163.699 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 31.9 m -80.08 -32.9 39.25 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.505 1.128 . . . . 0.0 110.041 -163.321 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 17.1 p90 -70.14 -11.97 61.27 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.499 1.125 . . . . 0.0 111.042 -176.795 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 74.7 mt-30 -74.4 -33.88 63.14 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.558 1.161 . . . . 0.0 110.279 173.203 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 13' ' ' CYS . . . . . 0.482 ' SG ' ' SG ' ' A' ' 7' ' ' CYS . 64.7 m -85.7 -34.76 21.19 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.46 1.1 . . . . 0.0 108.287 -169.401 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 14' ' ' PHE . . . . . 0.586 ' N ' ' CD ' ' A' ' 15' ' ' PRO . 0.1 OUTLIER -58.24 -44.81 99.58 Favored Pre-proline 0 C--N 1.325 -0.477 0 O-C-N 124.506 1.129 . . . . 0.0 111.022 -162.214 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 15' ' ' PRO . . . . . 0.586 ' CD ' ' N ' ' A' ' 14' ' ' PHE . 18.6 Cg_endo -74.98 -33.78 4.34 Favored 'Trans proline' 0 C--N 1.359 1.118 0 O-C-N 124.547 1.814 . . . . 0.0 111.0 178.991 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 0.9 OUTLIER -59.99 -40.06 81.99 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.506 1.129 . . . . 0.0 109.291 177.29 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 88.1 m -75.11 -39.47 60.62 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.488 1.118 . . . . 0.0 108.313 -172.92 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 37.8 ttpt -70.01 -34.18 72.96 Favored 'General case' 0 C--N 1.327 -0.403 0 O-C-N 124.525 1.141 . . . . 0.0 109.332 -177.919 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 43.4 t -75.03 -50.95 14.83 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.518 1.136 . . . . 0.0 110.008 -178.137 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 25.4 tpt180 -83.1 -60.93 2.0 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.505 1.128 . . . . 0.0 110.315 -165.124 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 40.5 m-85 -99.61 -14.06 19.13 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.461 1.1 . . . . 0.0 111.011 -168.692 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 78.05 43.25 14.17 Favored Glycine 0 CA--C 1.53 0.986 0 O-C-N 124.44 1.087 . . . . 0.0 111.035 175.339 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 4.2 mptp? -101.79 160.41 14.49 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.495 0.762 . . . . 0.0 109.333 179.037 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 9.0 p -76.61 -36.44 57.47 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.507 1.129 . . . . 0.0 110.421 -170.42 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 58.7 t30 -156.74 158.39 36.8 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.504 1.127 . . . . 0.0 109.361 -177.324 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -142.73 148.21 19.88 Favored Glycine 0 CA--C 1.53 0.991 0 O-C-N 124.46 1.1 . . . . 0.0 110.958 177.117 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 99.8 mtt180 -135.17 149.64 49.99 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.517 0.775 . . . . 0.0 110.295 -177.572 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 8.5 t -88.46 98.47 11.65 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.48 1.113 . . . . 0.0 108.279 -173.025 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 99.6 t -95.04 110.67 24.33 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.503 1.127 . . . . 0.0 109.302 -179.884 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 35.7 m-20 58.38 37.02 25.85 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.506 1.128 . . . . 0.0 109.27 172.022 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . 85.17 11.01 76.91 Favored Glycine 0 CA--C 1.529 0.96 0 O-C-N 124.542 1.151 . . . . 0.0 110.995 170.186 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 32' ' ' PHE . . . . . . . . . . . . . 33.2 m-85 -137.17 146.05 44.48 Favored 'General case' 0 C--N 1.324 -0.537 0 O-C-N 124.437 0.728 . . . . 0.0 110.998 176.848 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 33' ' ' CYS . . . . . . . . . . . . . 96.1 m -73.39 138.82 45.52 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.453 1.095 . . . . 0.0 108.309 -171.968 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 9.8 t70 -126.99 122.28 34.06 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.509 1.131 . . . . 0.0 109.282 170.536 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 35' ' ' CYS . . . . . . . . . . . . . 72.0 m -107.95 139.85 41.95 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.508 1.13 . . . . 0.0 108.321 -168.478 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 36' ' ' PHE . . . . . . . . . . . . . 45.9 p90 . . . . . 0 C--N 1.324 -0.504 0 O-C-N 124.578 1.174 . . . . 0.0 110.988 179.784 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 1' ' ' ARG . . . . . . . . . . . . . 99.4 mtt180 . . . . . 0 N--CA 1.453 -0.281 0 N-CA-C 110.332 -0.248 . . . . 0.0 110.332 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.96 144.62 30.63 Favored 'Trans proline' 0 C--N 1.359 1.13 0 O-C-N 124.497 1.788 . . . . 0.0 111.049 166.319 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 25.9 p -123.47 -162.14 1.02 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.513 1.133 . . . . 0.0 110.378 -179.571 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 6.7 p-10 -122.33 16.08 10.56 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.476 1.11 . . . . 0.0 109.282 -178.152 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 5' ' ' ILE . . . . . . . . . . . . . 85.5 mt -80.53 114.56 21.64 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.508 1.13 . . . . 0.0 109.314 178.002 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 84.8 tttt -73.01 144.72 47.08 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.548 1.155 . . . . 0.0 109.284 -173.156 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 7' ' ' CYS . . . . . 0.457 ' SG ' ' SG ' ' A' ' 13' ' ' CYS . 6.1 p -154.21 153.06 31.11 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.526 1.141 . . . . 0.0 108.282 -178.218 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 20.7 p -93.99 -31.44 14.25 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.456 1.097 . . . . 0.0 110.011 170.515 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 47.1 mt-10 -149.47 163.15 38.61 Favored 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.568 1.167 . . . . 0.0 110.304 -163.686 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 56.0 m -79.93 -35.87 37.16 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.519 1.137 . . . . 0.0 110.056 -159.903 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 23.4 p90 -73.14 -6.18 44.01 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.518 1.136 . . . . 0.0 111.008 -175.303 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 91.4 mt-30 -76.07 -33.95 59.56 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.567 1.167 . . . . 0.0 110.294 170.882 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 13' ' ' CYS . . . . . 0.457 ' SG ' ' SG ' ' A' ' 7' ' ' CYS . 72.3 m -85.74 -35.33 20.86 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.525 1.141 . . . . 0.0 108.28 -170.783 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 14' ' ' PHE . . . . . 0.591 ' N ' ' CD ' ' A' ' 15' ' ' PRO . 0.1 OUTLIER -58.77 -44.82 99.44 Favored Pre-proline 0 C--N 1.325 -0.47 0 O-C-N 124.505 1.128 . . . . 0.0 111.032 -162.683 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 15' ' ' PRO . . . . . 0.591 ' CD ' ' N ' ' A' ' 14' ' ' PHE . 18.3 Cg_endo -74.97 -30.03 7.66 Favored 'Trans proline' 0 C--N 1.36 1.158 0 O-C-N 124.494 1.786 . . . . 0.0 110.99 179.834 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 0.9 OUTLIER -64.1 -38.11 81.59 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.435 1.084 . . . . 0.0 109.316 176.611 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 91.6 m -74.99 -42.85 56.72 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.452 1.095 . . . . 0.0 108.301 -176.942 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 37.4 ttpt -61.88 -39.67 92.72 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.455 1.097 . . . . 0.0 109.345 -179.05 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 40.3 t -74.54 -63.2 1.29 Allowed 'General case' 0 C--N 1.326 -0.423 0 O-C-N 124.456 1.097 . . . . 0.0 110.012 -175.917 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 4.4 tmt_? -85.12 -46.96 10.63 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.434 1.084 . . . . 0.0 110.371 -162.083 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 68.5 m-85 -90.3 -21.41 22.07 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.462 1.101 . . . . 0.0 110.979 -172.42 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 73.67 36.47 53.56 Favored Glycine 0 CA--C 1.529 0.968 0 O-C-N 124.468 1.105 . . . . 0.0 111.044 178.678 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -102.19 165.7 11.0 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.48 0.753 . . . . 0.0 109.249 -177.898 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 7.5 p -77.6 -37.49 50.21 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.5 1.125 . . . . 0.0 110.4 -171.022 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 52.2 t30 -157.75 158.97 36.31 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.474 1.109 . . . . 0.0 109.251 -177.063 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -144.4 148.64 20.5 Favored Glycine 0 CA--C 1.529 0.938 0 O-C-N 124.448 1.093 . . . . 0.0 111.025 178.073 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 99.7 mtt180 -139.1 156.67 46.98 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.477 0.751 . . . . 0.0 110.311 -178.455 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 11.1 t -91.25 101.56 14.28 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.552 1.158 . . . . 0.0 108.28 -173.149 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 88.1 t -96.06 109.85 23.47 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.444 0 O-C-N 124.501 1.126 . . . . 0.0 109.265 -178.389 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 32.2 m120 53.48 41.7 32.07 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.476 1.11 . . . . 0.0 109.267 175.304 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . 85.69 7.68 81.24 Favored Glycine 0 CA--C 1.529 0.95 0 O-C-N 124.483 1.114 . . . . 0.0 111.041 167.485 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 32' ' ' PHE . . . . . . . . . . . . . 67.6 m-85 -139.34 143.18 37.69 Favored 'General case' 0 C--N 1.327 -0.411 0 O-C-N 124.429 0.723 . . . . 0.0 110.988 178.301 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 33' ' ' CYS . . . . . . . . . . . . . 91.8 m -70.65 144.71 51.0 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.532 1.145 . . . . 0.0 108.303 -167.837 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 10.3 t70 -132.45 126.26 32.63 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.471 1.107 . . . . 0.0 109.316 168.594 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 35' ' ' CYS . . . . . . . . . . . . . 65.9 m -102.38 142.31 33.8 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.53 1.144 . . . . 0.0 108.257 -174.913 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 36' ' ' PHE . . . . . . . . . . . . . 50.4 p90 . . . . . 0 C--N 1.326 -0.451 0 O-C-N 124.551 1.157 . . . . 0.0 110.994 176.726 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 1' ' ' ARG . . . . . . . . . . . . . 95.1 mtt180 . . . . . 0 N--CA 1.453 -0.288 0 N-CA-C 110.291 -0.263 . . . . 0.0 110.291 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.97 159.63 41.24 Favored 'Trans proline' 0 C--N 1.36 1.167 0 O-C-N 124.435 1.755 . . . . 0.0 110.996 178.061 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 29.1 p -133.17 -165.27 1.59 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.622 1.201 . . . . 0.0 110.412 179.61 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 12.0 p-10 -101.94 -5.64 24.43 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.481 1.113 . . . . 0.0 109.351 -174.957 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 5' ' ' ILE . . . . . . . . . . . . . 82.2 mt -80.35 118.68 28.42 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.443 0 O-C-N 124.485 1.115 . . . . 0.0 109.333 -172.954 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 27.7 mtpp -79.66 153.21 29.51 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.546 1.154 . . . . 0.0 109.298 -179.107 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 7' ' ' CYS . . . . . 0.668 ' SG ' ' SG ' ' A' ' 13' ' ' CYS . 4.7 p -157.17 155.39 30.85 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.495 1.122 . . . . 0.0 108.297 -178.608 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 97.5 p -95.36 -28.14 15.1 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.494 1.121 . . . . 0.0 110.106 171.058 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 1.5 mp0 -149.33 161.26 42.41 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.516 1.135 . . . . 0.0 110.328 -163.317 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 74.3 m -80.01 -33.66 39.1 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.605 1.191 . . . . 0.0 110.039 -163.49 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 15.6 p90 -70.27 -11.25 60.77 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.554 1.159 . . . . 0.0 111.013 -176.523 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 74.8 mt-30 -75.02 -35.99 61.94 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.47 1.106 . . . . 0.0 110.343 173.322 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 13' ' ' CYS . . . . . 0.668 ' SG ' ' SG ' ' A' ' 7' ' ' CYS . 76.4 m -85.73 -35.93 20.49 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.488 1.118 . . . . 0.0 108.357 -169.553 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 14' ' ' PHE . . . . . 0.598 ' N ' ' CD ' ' A' ' 15' ' ' PRO . 0.1 OUTLIER -59.07 -44.31 98.54 Favored Pre-proline 0 C--N 1.325 -0.486 0 O-C-N 124.437 1.086 . . . . 0.0 111.019 -161.438 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 15' ' ' PRO . . . . . 0.598 ' CD ' ' N ' ' A' ' 14' ' ' PHE . 18.5 Cg_endo -74.95 -34.02 4.2 Favored 'Trans proline' 0 C--N 1.36 1.164 0 O-C-N 124.47 1.774 . . . . 0.0 111.026 179.116 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 0.9 OUTLIER -58.67 -39.53 76.57 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 O-C-N 124.473 1.108 . . . . 0.0 109.358 175.377 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 91.5 m -75.02 -44.65 46.76 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.52 1.138 . . . . 0.0 108.304 -175.199 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 61.0 tttp -63.89 -37.12 86.24 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.447 1.092 . . . . 0.0 109.302 -176.017 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 42.8 t -78.01 -62.8 1.56 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.478 1.111 . . . . 0.0 110.042 -176.537 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 4.3 tmt_? -85.02 -45.34 12.23 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.457 1.098 . . . . 0.0 110.291 -161.523 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 69.6 m-85 -90.93 -20.59 22.02 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.519 1.137 . . . . 0.0 111.0 -173.136 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 75.38 41.93 29.22 Favored Glycine 0 CA--C 1.53 0.974 0 O-C-N 124.41 1.069 . . . . 0.0 110.952 174.22 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -109.69 169.9 8.41 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.463 0.743 . . . . 0.0 109.275 -177.187 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 9.4 p -78.76 -35.9 43.85 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.545 1.153 . . . . 0.0 110.393 -173.398 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 60.9 t30 -157.26 161.92 39.21 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.482 1.114 . . . . 0.0 109.302 -175.995 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -138.61 161.2 25.75 Favored Glycine 0 CA--C 1.53 0.982 0 O-C-N 124.567 1.167 . . . . 0.0 111.004 175.074 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 55.3 ttm-85 -153.23 143.25 22.2 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.471 0.747 . . . . 0.0 110.319 -178.026 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 9.3 t -86.02 99.07 11.21 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.484 1.115 . . . . 0.0 108.258 -175.75 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 99.0 t -98.19 113.45 32.87 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.529 1.143 . . . . 0.0 109.268 -179.756 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 38.0 m-20 58.31 36.3 25.48 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.479 1.112 . . . . 0.0 109.294 172.603 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . 83.49 11.93 79.2 Favored Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.484 1.115 . . . . 0.0 110.976 170.07 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 32' ' ' PHE . . . . . . . . . . . . . 32.9 m-85 -135.18 147.14 49.3 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.466 0.745 . . . . 0.0 110.968 176.113 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 33' ' ' CYS . . . . . . . . . . . . . 84.3 m -74.79 136.47 41.66 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.557 1.161 . . . . 0.0 108.284 -173.311 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 44.2 t0 -124.93 124.87 42.96 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.429 1.081 . . . . 0.0 109.328 172.697 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 35' ' ' CYS . . . . . . . . . . . . . 70.2 m -109.71 132.64 53.96 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.428 1.08 . . . . 0.0 108.222 -172.027 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 36' ' ' PHE . . . . . . . . . . . . . 38.4 p90 . . . . . 0 C--N 1.325 -0.463 0 O-C-N 124.489 1.118 . . . . 0.0 111.027 -177.089 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 1' ' ' ARG . . . . . . . . . . . . . 1.5 mpp_? . . . . . 0 N--CA 1.454 -0.256 0 N-CA-C 110.215 -0.291 . . . . 0.0 110.215 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.08 156.57 42.66 Favored 'Trans proline' 0 C--N 1.362 1.25 0 O-C-N 124.496 1.787 . . . . 0.0 110.996 -163.211 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 22.7 p -132.71 -164.77 1.51 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.495 1.122 . . . . 0.0 110.424 174.477 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 12.6 p-10 -104.05 -5.06 22.49 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.545 1.153 . . . . 0.0 109.252 -175.525 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 5' ' ' ILE . . . . . . . . . . . . . 68.3 mt -77.34 120.61 28.15 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.527 0 O-C-N 124.579 1.174 . . . . 0.0 109.318 -171.192 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 1.9 mmpt? -77.19 146.74 36.86 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.47 1.106 . . . . 0.0 109.271 -177.558 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 7' ' ' CYS . . . . . 0.643 ' SG ' ' SG ' ' A' ' 13' ' ' CYS . 7.1 p -156.41 159.02 38.32 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.514 1.134 . . . . 0.0 108.33 178.119 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 88.4 p -102.0 -23.76 14.07 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.436 1.085 . . . . 0.0 110.059 170.966 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -150.71 159.95 44.17 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.471 1.107 . . . . 0.0 110.251 -164.868 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 63.2 m -79.36 -32.96 43.29 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.481 1.113 . . . . 0.0 110.0 -164.073 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 15.5 p90 -72.8 -10.15 59.47 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.535 1.147 . . . . 0.0 110.973 -176.137 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 53.3 mt-30 -74.63 -35.06 62.89 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.525 1.14 . . . . 0.0 110.244 171.018 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 13' ' ' CYS . . . . . 0.643 ' SG ' ' SG ' ' A' ' 7' ' ' CYS . 79.4 m -85.52 -40.03 16.78 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.468 1.105 . . . . 0.0 108.324 -168.239 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 14' ' ' PHE . . . . . 0.585 ' N ' ' CD ' ' A' ' 15' ' ' PRO . 0.1 OUTLIER -57.95 -44.64 99.52 Favored Pre-proline 0 C--N 1.325 -0.47 0 O-C-N 124.511 1.132 . . . . 0.0 111.003 -161.399 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 15' ' ' PRO . . . . . 0.585 ' CD ' ' N ' ' A' ' 14' ' ' PHE . 17.9 Cg_endo -75.09 -30.65 6.81 Favored 'Trans proline' 0 C--N 1.36 1.142 0 O-C-N 124.441 1.759 . . . . 0.0 110.941 179.562 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 1.1 t -68.5 -36.62 75.51 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.502 1.126 . . . . 0.0 109.313 -177.551 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 91.4 m -74.86 -41.93 58.89 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.531 1.144 . . . . 0.0 108.321 -177.086 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 40.3 tttp -70.21 -29.36 66.17 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.542 1.151 . . . . 0.0 109.294 -175.959 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 42.9 t -76.37 -51.84 11.1 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.453 1.095 . . . . 0.0 109.987 177.195 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 1.3 tpm_? -77.96 -60.64 2.29 Favored 'General case' 0 C--N 1.326 -0.426 0 O-C-N 124.474 1.109 . . . . 0.0 110.374 -168.548 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 36.3 m-85 -94.45 -25.19 17.0 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.494 1.121 . . . . 0.0 111.037 -168.944 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 83.88 25.13 46.67 Favored Glycine 0 CA--C 1.529 0.949 0 O-C-N 124.536 1.147 . . . . 0.0 111.029 178.369 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 30.7 mttp -83.54 165.08 19.39 Favored 'General case' 0 C--N 1.326 -0.43 0 O-C-N 124.508 0.769 . . . . 0.0 109.358 176.977 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 1.4 p -74.67 -35.03 62.8 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.53 1.144 . . . . 0.0 110.395 -167.631 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 6.4 t-20 -160.17 165.69 31.12 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.496 1.122 . . . . 0.0 109.331 -176.548 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -158.71 143.73 9.6 Favored Glycine 0 CA--C 1.529 0.959 0 O-C-N 124.501 1.125 . . . . 0.0 110.998 177.442 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 97.5 mtt180 -143.94 156.08 44.29 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.438 0.729 . . . . 0.0 110.353 -171.044 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 5.2 t -90.78 105.98 18.2 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.511 1.132 . . . . 0.0 108.297 -166.281 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 97.0 t -104.4 112.85 39.63 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.505 1.128 . . . . 0.0 109.294 178.216 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 36.3 m-20 58.22 34.56 24.23 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.421 1.076 . . . . 0.0 109.313 173.042 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . 92.89 -3.0 73.25 Favored Glycine 0 CA--C 1.529 0.968 0 O-C-N 124.464 1.102 . . . . 0.0 111.031 168.675 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 32' ' ' PHE . . . . . . . . . . . . . 54.3 m-85 -124.38 144.56 49.97 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.499 0.764 . . . . 0.0 110.975 -179.305 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 33' ' ' CYS . . . . . . . . . . . . . 91.9 m -70.52 140.62 51.87 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.499 1.124 . . . . 0.0 108.314 -174.772 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 12.1 t70 -131.03 109.92 10.85 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.493 1.12 . . . . 0.0 109.273 178.274 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 35' ' ' CYS . . . . . . . . . . . . . 60.2 m -107.05 137.06 45.84 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.471 1.107 . . . . 0.0 108.328 -163.562 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 36' ' ' PHE . . . . . . . . . . . . . 46.8 p90 . . . . . 0 C--N 1.324 -0.51 0 O-C-N 124.604 1.19 . . . . 0.0 110.979 -177.491 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 1' ' ' ARG . . . . . . . . . . . . . 68.3 mtt85 . . . . . 0 N--CA 1.453 -0.296 0 N-CA-C 110.254 -0.276 . . . . 0.0 110.254 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.96 154.85 42.98 Favored 'Trans proline' 0 C--N 1.359 1.103 0 O-C-N 124.554 1.818 . . . . 0.0 111.028 -178.57 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 31.6 p -126.62 -164.11 1.3 Allowed 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.422 1.076 . . . . 0.0 110.453 172.793 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 36.6 p-10 -108.6 6.28 25.78 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.468 1.105 . . . . 0.0 109.312 -175.863 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 5' ' ' ILE . . . . . . . . . . . . . 74.2 mt -82.42 111.57 19.01 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.535 1.147 . . . . 0.0 109.341 -178.002 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 19.5 ptmt -69.88 153.67 42.98 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.53 1.144 . . . . 0.0 109.355 179.944 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 7' ' ' CYS . . . . . 0.441 ' SG ' ' SG ' ' A' ' 13' ' ' CYS . 8.6 p -160.72 154.73 22.8 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.446 1.092 . . . . 0.0 108.24 -178.191 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 77.6 p -95.37 -29.67 14.32 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.465 1.103 . . . . 0.0 109.978 170.141 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 47.8 mm-40 -149.47 162.19 40.63 Favored 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.556 1.16 . . . . 0.0 110.337 -165.416 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 21.5 m -80.15 -32.81 38.85 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.474 1.109 . . . . 0.0 109.999 -163.732 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 16.0 p90 -69.87 -12.05 61.33 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.5 1.125 . . . . 0.0 111.006 -176.864 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 82.6 mt-30 -75.42 -33.26 60.92 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.505 1.128 . . . . 0.0 110.301 173.633 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 13' ' ' CYS . . . . . 0.441 ' SG ' ' SG ' ' A' ' 7' ' ' CYS . 64.2 m -85.77 -32.91 21.57 Favored 'General case' 0 C--N 1.326 -0.426 0 O-C-N 124.456 1.097 . . . . 0.0 108.316 -170.738 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 14' ' ' PHE . . . . . 0.598 ' N ' ' CD ' ' A' ' 15' ' ' PRO . 0.1 OUTLIER -57.48 -45.26 99.88 Favored Pre-proline 0 C--N 1.325 -0.462 0 O-C-N 124.488 1.117 . . . . 0.0 111.068 -162.08 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 15' ' ' PRO . . . . . 0.598 ' CD ' ' N ' ' A' ' 14' ' ' PHE . 18.6 Cg_endo -74.98 -35.78 2.96 Favored 'Trans proline' 0 C--N 1.36 1.137 0 O-C-N 124.557 1.82 . . . . 0.0 111.025 -179.246 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 0.9 OUTLIER -55.87 -42.95 72.78 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.521 0 O-C-N 124.467 1.105 . . . . 0.0 109.291 174.448 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 96.7 m -75.07 -46.0 37.67 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.484 1.115 . . . . 0.0 108.314 -173.773 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 1.1 tmtp? -63.6 -34.68 78.35 Favored 'General case' 0 C--N 1.326 -0.414 0 O-C-N 124.474 1.108 . . . . 0.0 109.358 -175.37 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 43.2 t -78.24 -65.41 0.98 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.514 1.133 . . . . 0.0 110.015 -176.978 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 3.3 tmm_? -85.07 -40.04 17.27 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.402 1.064 . . . . 0.0 110.276 -159.326 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 74.2 m-85 -92.22 -21.43 20.35 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.462 1.101 . . . . 0.0 111.047 -177.314 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 78.75 26.2 59.1 Favored Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.44 1.087 . . . . 0.0 110.998 174.485 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 18.7 mmtt -85.17 174.55 9.57 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.523 0.778 . . . . 0.0 109.301 -177.352 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 7.3 p -78.1 -43.13 29.9 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.414 1.071 . . . . 0.0 110.457 177.942 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 48.0 t30 -163.02 161.5 25.49 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.486 1.116 . . . . 0.0 109.306 -175.86 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -138.94 169.73 24.31 Favored Glycine 0 CA--C 1.53 0.987 0 O-C-N 124.568 1.168 . . . . 0.0 111.023 177.204 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 12.2 ptm85 -156.88 156.96 34.02 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.497 0.763 . . . . 0.0 110.31 -178.593 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 5.1 t -91.49 109.12 20.41 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.502 1.126 . . . . 0.0 108.327 -173.053 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 90.9 t -102.95 111.81 34.1 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.558 1.161 . . . . 0.0 109.312 176.504 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 37.0 m-20 57.86 36.86 26.73 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.467 1.104 . . . . 0.0 109.219 171.604 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . 85.34 10.88 76.59 Favored Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.529 1.143 . . . . 0.0 110.944 169.592 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 32' ' ' PHE . . . . . . . . . . . . . 44.0 m-85 -140.16 145.63 37.76 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.519 0.776 . . . . 0.0 110.945 176.867 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 33' ' ' CYS . . . . . . . . . . . . . 90.6 m -71.95 147.49 46.93 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.517 1.136 . . . . 0.0 108.284 -166.913 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 11.4 t0 -137.86 121.27 17.11 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.475 1.109 . . . . 0.0 109.277 172.849 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 35' ' ' CYS . . . . . . . . . . . . . 52.7 m -105.99 134.36 49.25 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.532 1.145 . . . . 0.0 108.279 -170.868 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 36' ' ' PHE . . . . . . . . . . . . . 52.6 p90 . . . . . 0 C--N 1.325 -0.5 0 O-C-N 124.461 1.101 . . . . 0.0 111.024 -177.384 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 1' ' ' ARG . . . . . . . . . . . . . 39.0 mtp-105 . . . . . 0 N--CA 1.453 -0.312 0 N-CA-C 110.272 -0.269 . . . . 0.0 110.272 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.06 146.48 32.49 Favored 'Trans proline' 0 C--N 1.36 1.177 0 O-C-N 124.455 1.766 . . . . 0.0 111.021 165.517 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 32.2 p -123.98 -164.44 1.24 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.557 1.161 . . . . 0.0 110.364 -177.969 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 15.5 p-10 -104.51 -1.32 26.79 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.446 1.091 . . . . 0.0 109.325 -174.843 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 5' ' ' ILE . . . . . . . . . . . . . 82.3 mt -77.37 119.92 26.87 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.437 0 O-C-N 124.436 1.085 . . . . 0.0 109.297 -173.7 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 64.5 mttp -79.37 150.64 31.33 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.451 1.095 . . . . 0.0 109.262 -176.074 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 7' ' ' CYS . . . . . 0.728 ' SG ' ' SG ' ' A' ' 13' ' ' CYS . 5.5 p -158.28 154.99 28.06 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.532 1.145 . . . . 0.0 108.289 179.743 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 88.1 p -99.55 -26.88 13.95 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.492 1.12 . . . . 0.0 109.973 171.83 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 49.2 mt-10 -149.28 161.4 42.12 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.502 1.126 . . . . 0.0 110.298 -165.864 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 57.9 m -80.43 -34.51 36.06 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.483 1.114 . . . . 0.0 109.97 -159.155 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 23.2 p90 -72.65 -7.03 48.32 Favored 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.499 1.124 . . . . 0.0 111.028 -175.778 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 63.0 mt-30 -74.29 -38.68 63.31 Favored 'General case' 0 C--N 1.326 -0.424 0 O-C-N 124.494 1.121 . . . . 0.0 110.279 168.838 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 13' ' ' CYS . . . . . 0.728 ' SG ' ' SG ' ' A' ' 7' ' ' CYS . 76.5 m -85.67 -40.04 16.6 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.592 1.183 . . . . 0.0 108.349 -168.644 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 14' ' ' PHE . . . . . 0.595 ' N ' ' CD ' ' A' ' 15' ' ' PRO . 0.1 OUTLIER -57.82 -44.95 99.8 Favored Pre-proline 0 C--N 1.325 -0.483 0 O-C-N 124.511 1.132 . . . . 0.0 111.042 -161.659 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 15' ' ' PRO . . . . . 0.595 ' CD ' ' N ' ' A' ' 14' ' ' PHE . 18.1 Cg_endo -75.03 -29.61 8.0 Favored 'Trans proline' 0 C--N 1.36 1.148 0 O-C-N 124.406 1.74 . . . . 0.0 110.969 -178.811 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 1.0 OUTLIER -68.08 -35.59 72.21 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.525 0 O-C-N 124.459 1.099 . . . . 0.0 109.248 178.667 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 69.0 m -72.87 -45.54 57.71 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.534 1.146 . . . . 0.0 108.368 179.576 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 14.8 tmtt? -65.15 -35.25 80.5 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.523 1.139 . . . . 0.0 109.29 -175.39 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 43.4 t -79.27 -61.5 1.99 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.585 1.178 . . . . 0.0 110.007 -176.97 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 4.4 tmt_? -83.43 -46.22 12.76 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.484 1.115 . . . . 0.0 110.333 -161.593 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 75.2 m-85 -90.76 -21.6 21.47 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.528 1.142 . . . . 0.0 110.974 -175.922 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 80.47 25.12 57.56 Favored Glycine 0 CA--C 1.531 1.051 0 O-C-N 124.503 1.127 . . . . 0.0 111.033 172.195 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 2.4 mtpt -87.32 174.39 8.59 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.6 0.823 . . . . 0.0 109.276 -177.154 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 1.3 p -74.89 -38.2 61.92 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.522 1.139 . . . . 0.0 110.365 -177.242 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 5.3 t-20 -163.31 166.98 22.45 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.458 1.099 . . . . 0.0 109.336 -173.05 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -147.7 163.77 28.8 Favored Glycine 0 CA--C 1.531 1.071 0 O-C-N 124.514 1.134 . . . . 0.0 111.014 176.612 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 74.5 ttt180 -153.85 145.81 23.58 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.515 0.774 . . . . 0.0 110.267 -177.677 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 12.5 t -83.77 102.01 12.0 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.583 1.177 . . . . 0.0 108.356 -177.308 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 96.0 t -97.97 111.0 26.71 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.493 1.121 . . . . 0.0 109.287 179.549 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 37.5 m-20 58.35 37.25 25.91 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.477 1.11 . . . . 0.0 109.349 170.981 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . 87.27 8.52 74.7 Favored Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.546 1.154 . . . . 0.0 110.96 169.14 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 32' ' ' PHE . . . . . . . . . . . . . 45.7 m-85 -136.65 145.59 44.98 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.546 0.792 . . . . 0.0 110.942 177.366 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 33' ' ' CYS . . . . . . . . . . . . . 94.0 m -72.76 140.07 47.51 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.48 1.113 . . . . 0.0 108.302 -172.577 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 10.5 t70 -132.56 126.62 33.24 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.474 1.109 . . . . 0.0 109.35 172.204 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 35' ' ' CYS . . . . . . . . . . . . . 38.6 m -104.52 144.37 31.77 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.519 1.137 . . . . 0.0 108.302 -174.645 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 36' ' ' PHE . . . . . . . . . . . . . 30.9 p90 . . . . . 0 C--N 1.325 -0.475 0 O-C-N 124.476 1.11 . . . . 0.0 110.998 177.671 . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' 1' ' ' ARG . . . . . . . . . . . . . 39.2 ptt180 . . . . . 0 N--CA 1.452 -0.338 0 N-CA-C 110.292 -0.262 . . . . 0.0 110.292 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.9 155.19 43.42 Favored 'Trans proline' 0 C--N 1.361 1.192 0 O-C-N 124.554 1.818 . . . . 0.0 111.032 175.106 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 33.7 p -133.06 -165.37 1.6 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.483 1.115 . . . . 0.0 110.389 -174.259 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 8.3 p-10 -97.82 -8.6 28.07 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.494 1.121 . . . . 0.0 109.359 -174.976 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 5' ' ' ILE . . . . . . . . . . . . . 68.2 mt -81.73 117.36 27.59 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.501 1.126 . . . . 0.0 109.297 -168.087 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 55.6 tttm -80.09 145.07 32.61 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.421 1.075 . . . . 0.0 109.237 176.315 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 7' ' ' CYS . . . . . 0.545 ' SG ' ' SG ' ' A' ' 13' ' ' CYS . 8.6 p -152.01 158.4 43.02 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.507 1.129 . . . . 0.0 108.314 -177.261 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 88.1 p -102.37 -21.29 14.31 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.494 1.121 . . . . 0.0 110.059 172.54 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -152.7 161.28 42.77 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.516 1.135 . . . . 0.0 110.242 -168.737 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 66.4 m -80.17 -33.24 38.5 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.525 1.141 . . . . 0.0 109.966 -164.391 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 14.6 p90 -71.15 -11.09 60.75 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.493 1.12 . . . . 0.0 110.996 -177.093 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 76.5 mt-30 -75.77 -29.84 58.93 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.425 1.078 . . . . 0.0 110.278 172.626 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 13' ' ' CYS . . . . . 0.545 ' SG ' ' SG ' ' A' ' 7' ' ' CYS . 83.2 m -85.4 -39.9 17.07 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.517 1.135 . . . . 0.0 108.29 -170.808 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 14' ' ' PHE . . . . . 0.586 ' N ' ' CD ' ' A' ' 15' ' ' PRO . 0.0 OUTLIER -56.2 -46.03 99.84 Favored Pre-proline 0 C--N 1.325 -0.469 0 O-C-N 124.523 1.14 . . . . 0.0 110.996 -161.559 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 15' ' ' PRO . . . . . 0.586 ' CD ' ' N ' ' A' ' 14' ' ' PHE . 18.2 Cg_endo -75.01 -29.9 7.71 Favored 'Trans proline' 0 C--N 1.36 1.166 0 O-C-N 124.534 1.807 . . . . 0.0 111.042 -178.607 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 1.1 t -69.76 -35.65 66.34 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.439 0 O-C-N 124.506 1.128 . . . . 0.0 109.325 -179.221 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 83.1 m -73.5 -37.37 65.72 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.523 1.14 . . . . 0.0 108.292 -177.699 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 37.7 ttpt -70.0 -32.56 70.8 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.445 1.091 . . . . 0.0 109.3 -179.95 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 44.4 t -72.69 -51.25 20.1 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.46 1.1 . . . . 0.0 110.021 179.3 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 68.5 ttt180 -83.65 -59.67 2.36 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.499 1.124 . . . . 0.0 110.291 -166.58 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 46.1 m-85 -94.26 -20.9 19.39 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.377 1.048 . . . . 0.0 111.072 -170.076 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 81.46 24.95 55.58 Favored Glycine 0 CA--C 1.53 0.986 0 O-C-N 124.545 1.153 . . . . 0.0 110.984 -177.436 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 94.3 mttt -91.18 159.72 15.92 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.477 0.751 . . . . 0.0 109.246 -177.5 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 7.4 p -75.0 -41.45 59.47 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.505 1.128 . . . . 0.0 110.39 -166.314 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 4.0 t-20 -159.95 164.95 32.96 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.483 1.114 . . . . 0.0 109.286 -175.832 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -146.37 159.41 27.97 Favored Glycine 0 CA--C 1.53 0.989 0 O-C-N 124.426 1.079 . . . . 0.0 110.995 177.596 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 59.0 ttt85 -129.93 138.69 51.02 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.488 0.758 . . . . 0.0 110.322 -177.957 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 6.2 t -81.74 91.82 6.53 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.482 1.114 . . . . 0.0 108.31 -175.38 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 78.1 t -94.9 118.12 40.28 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.515 0 O-C-N 124.48 1.113 . . . . 0.0 109.313 -178.354 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 34.5 m-20 57.24 33.92 24.01 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.462 1.101 . . . . 0.0 109.268 176.854 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . 82.23 13.58 78.59 Favored Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.545 1.153 . . . . 0.0 111.036 170.583 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 32' ' ' PHE . . . . . . . . . . . . . 25.4 m-85 -140.06 147.82 40.88 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.476 0.75 . . . . 0.0 111.038 177.641 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 33' ' ' CYS . . . . . . . . . . . . . 80.2 m -74.33 137.87 43.12 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.539 1.149 . . . . 0.0 108.28 -166.712 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 51.4 t0 -124.76 111.83 16.0 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.515 1.135 . . . . 0.0 109.345 170.218 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 35' ' ' CYS . . . . . . . . . . . . . 75.9 m -102.49 143.65 31.93 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.421 1.075 . . . . 0.0 108.33 -165.634 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 36' ' ' PHE . . . . . . . . . . . . . 16.5 p90 . . . . . 0 C--N 1.324 -0.509 0 O-C-N 124.51 1.131 . . . . 0.0 110.976 -178.857 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' 1' ' ' ARG . . . . . . . . . . . . . 13.4 ptp180 . . . . . 0 N--CA 1.453 -0.29 0 N-CA-C 110.344 -0.243 . . . . 0.0 110.344 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.03 144.46 30.19 Favored 'Trans proline' 0 C--N 1.36 1.178 0 O-C-N 124.539 1.81 . . . . 0.0 110.994 165.336 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 52.3 p -126.98 -159.58 0.94 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.496 1.123 . . . . 0.0 110.393 -177.852 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 19.2 p-10 -127.37 20.04 6.81 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.553 1.158 . . . . 0.0 109.314 170.491 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 5' ' ' ILE . . . . . . . . . . . . . 57.8 mt -74.48 113.34 12.84 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.478 1.111 . . . . 0.0 109.33 177.074 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 84.5 tttt -75.12 144.44 42.84 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.425 1.078 . . . . 0.0 109.267 -170.004 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 7' ' ' CYS . . . . . 0.505 ' SG ' ' SG ' ' A' ' 13' ' ' CYS . 6.3 p -154.99 156.19 35.55 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.522 1.139 . . . . 0.0 108.303 -178.066 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 91.1 p -98.37 -26.43 14.49 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.464 1.102 . . . . 0.0 110.092 171.228 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 3.5 mm-40 -149.88 161.01 43.11 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.503 1.127 . . . . 0.0 110.31 -164.844 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 37.5 m -80.0 -33.64 39.15 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.52 1.137 . . . . 0.0 109.978 -163.437 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 16.1 p90 -70.53 -10.89 60.36 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.519 1.137 . . . . 0.0 110.944 -176.423 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 75.0 mt-30 -75.01 -33.6 61.83 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.512 1.132 . . . . 0.0 110.281 173.245 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 13' ' ' CYS . . . . . 0.505 ' SG ' ' SG ' ' A' ' 7' ' ' CYS . 84.8 m -85.71 -35.42 20.85 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.449 1.093 . . . . 0.0 108.268 -169.939 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 14' ' ' PHE . . . . . 0.587 ' N ' ' CD ' ' A' ' 15' ' ' PRO . 0.1 OUTLIER -58.25 -44.82 99.58 Favored Pre-proline 0 C--N 1.324 -0.513 0 O-C-N 124.563 1.165 . . . . 0.0 111.009 -162.225 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 15' ' ' PRO . . . . . 0.587 ' CD ' ' N ' ' A' ' 14' ' ' PHE . 18.4 Cg_endo -75.05 -34.07 4.06 Favored 'Trans proline' 0 C--N 1.36 1.14 0 O-C-N 124.483 1.781 . . . . 0.0 111.011 179.298 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 0.9 OUTLIER -58.92 -39.81 78.74 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.554 1.159 . . . . 0.0 109.335 176.017 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 93.5 m -75.23 -41.01 58.52 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.535 1.147 . . . . 0.0 108.361 -174.274 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 28.2 ttpp -66.61 -31.87 72.85 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.493 1.121 . . . . 0.0 109.225 -178.196 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 44.4 t -76.22 -50.05 15.5 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.415 1.072 . . . . 0.0 109.953 179.567 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 49.5 tpt85 -79.2 -58.37 3.26 Favored 'General case' 0 C--N 1.324 -0.533 0 O-C-N 124.536 1.148 . . . . 0.0 110.285 -167.557 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 68.4 m-85 -99.76 -19.99 16.46 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.408 1.067 . . . . 0.0 110.961 -168.667 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 78.11 27.86 57.3 Favored Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.521 1.138 . . . . 0.0 110.977 -177.513 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 25.0 mmtt -81.47 170.76 15.54 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.52 0.776 . . . . 0.0 109.346 -179.218 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 8.2 p -87.12 -31.1 20.6 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.495 1.122 . . . . 0.0 110.429 -169.485 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 55.2 t30 -164.48 157.72 17.54 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.518 1.136 . . . . 0.0 109.287 -179.138 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -142.65 147.48 18.94 Favored Glycine 0 CA--C 1.53 1.023 0 O-C-N 124.487 1.117 . . . . 0.0 111.028 177.726 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 99.7 mtt180 -135.21 153.47 51.93 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.571 0.807 . . . . 0.0 110.282 -177.092 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 9.0 t -90.59 97.03 10.94 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.441 1.088 . . . . 0.0 108.274 -172.491 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 97.9 t -95.05 113.21 28.97 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 O-C-N 124.532 1.145 . . . . 0.0 109.282 -178.433 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 33.1 m-20 58.1 35.71 25.35 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.487 1.117 . . . . 0.0 109.306 174.411 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . 84.35 10.04 80.72 Favored Glycine 0 CA--C 1.53 0.98 0 O-C-N 124.469 1.106 . . . . 0.0 111.026 170.742 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 32' ' ' PHE . . . . . . . . . . . . . 73.3 m-85 -138.44 145.17 40.59 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.428 0.722 . . . . 0.0 110.998 178.557 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 33' ' ' CYS . . . . . . . . . . . . . 82.4 m -70.93 142.9 51.08 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.455 1.097 . . . . 0.0 108.3 -169.727 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 61.4 t0 -136.62 127.17 26.91 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.519 1.137 . . . . 0.0 109.307 168.142 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 35' ' ' CYS . . . . . . . . . . . . . 33.9 m -109.71 145.6 36.3 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.498 1.124 . . . . 0.0 108.299 -167.869 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 36' ' ' PHE . . . . . . . . . . . . . 42.6 p90 . . . . . 0 C--N 1.325 -0.482 0 O-C-N 124.504 1.128 . . . . 0.0 111.016 -179.997 . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' 1' ' ' ARG . . . . . . . . . . . . . 6.1 ptm180 . . . . . 0 N--CA 1.453 -0.307 0 N-CA-C 110.337 -0.246 . . . . 0.0 110.337 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 18.7 Cg_endo -74.92 164.99 32.32 Favored 'Trans proline' 0 C--N 1.36 1.14 0 O-C-N 124.529 1.805 . . . . 0.0 111.058 171.85 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 13.2 p -132.59 -163.49 1.35 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.511 1.132 . . . . 0.0 110.46 171.764 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 16.0 p-10 -114.25 4.2 15.39 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.459 1.099 . . . . 0.0 109.329 -179.094 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 5' ' ' ILE . . . . . . . . . . . . . 85.5 mt -79.84 119.6 29.58 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.473 1.108 . . . . 0.0 109.309 -173.977 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 17.2 tptm -78.65 139.15 38.56 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.455 1.097 . . . . 0.0 109.322 -176.741 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 7' ' ' CYS . . . . . 0.617 ' SG ' ' SG ' ' A' ' 13' ' ' CYS . 8.1 p -151.9 158.17 42.83 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.52 1.138 . . . . 0.0 108.28 -178.796 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 90.6 p -95.23 -31.03 13.68 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.555 1.159 . . . . 0.0 110.038 167.765 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 23.9 mt-10 -149.08 159.94 43.78 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.451 1.095 . . . . 0.0 110.253 -156.261 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 73.6 m -78.3 -32.96 49.6 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.491 1.119 . . . . 0.0 109.985 -161.926 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 13.4 p90 -70.98 -14.03 62.21 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.532 1.145 . . . . 0.0 111.089 -175.387 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 52.8 mt-30 -72.37 -35.92 68.6 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.477 1.111 . . . . 0.0 110.338 172.415 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 13' ' ' CYS . . . . . 0.617 ' SG ' ' SG ' ' A' ' 7' ' ' CYS . 83.9 m -85.69 -40.0 16.62 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.427 1.079 . . . . 0.0 108.296 -166.909 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 14' ' ' PHE . . . . . 0.584 ' N ' ' CD ' ' A' ' 15' ' ' PRO . 0.1 OUTLIER -58.46 -44.89 99.6 Favored Pre-proline 0 C--N 1.324 -0.521 0 O-C-N 124.552 1.158 . . . . 0.0 110.998 -161.022 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 15' ' ' PRO . . . . . 0.584 ' CD ' ' N ' ' A' ' 14' ' ' PHE . 18.2 Cg_endo -75.02 -30.32 7.26 Favored 'Trans proline' 0 C--N 1.361 1.207 0 O-C-N 124.47 1.774 . . . . 0.0 111.035 179.834 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 1.1 t -68.03 -35.96 73.71 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.515 1.135 . . . . 0.0 109.284 -179.514 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 69.6 m -73.79 -39.7 63.94 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.484 1.115 . . . . 0.0 108.313 -176.366 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 64.7 tttm -69.89 -34.06 73.04 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.548 1.155 . . . . 0.0 109.348 -178.055 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 47.2 t -73.57 -49.38 26.62 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.484 1.115 . . . . 0.0 109.979 179.88 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 1.2 tpm_? -80.84 -61.8 1.86 Allowed 'General case' 0 C--N 1.326 -0.432 0 O-C-N 124.439 1.087 . . . . 0.0 110.26 -167.547 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 79.5 m-85 -99.15 -9.18 24.1 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.471 1.107 . . . . 0.0 110.953 -167.021 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 73.67 25.68 71.53 Favored Glycine 0 CA--C 1.53 1.017 0 O-C-N 124.495 1.122 . . . . 0.0 110.979 177.635 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 24.6 mmtt -81.15 162.63 23.57 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.509 0.77 . . . . 0.0 109.314 -178.458 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 6.1 p -74.99 -36.02 62.02 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.474 1.109 . . . . 0.0 110.409 -172.467 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 10.4 t-20 -162.14 164.16 28.08 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.541 1.151 . . . . 0.0 109.268 -177.923 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -150.01 160.1 28.38 Favored Glycine 0 CA--C 1.531 1.036 0 O-C-N 124.429 1.081 . . . . 0.0 111.015 177.287 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 16.7 ptp180 -153.37 160.36 42.63 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.455 0.738 . . . . 0.0 110.345 -179.539 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 5.9 t -92.26 109.67 21.05 Favored 'General case' 0 C--N 1.324 -0.534 0 O-C-N 124.563 1.165 . . . . 0.0 108.258 -169.674 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 95.8 t -104.63 111.35 33.81 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.454 1.096 . . . . 0.0 109.326 178.414 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 36.9 m-20 58.13 36.32 25.78 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.482 1.114 . . . . 0.0 109.257 171.746 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . 91.32 0.13 74.0 Favored Glycine 0 CA--C 1.53 0.991 0 O-C-N 124.462 1.101 . . . . 0.0 111.001 168.572 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 32' ' ' PHE . . . . . . . . . . . . . 52.9 m-85 -133.05 143.63 49.5 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.48 0.753 . . . . 0.0 111.01 179.904 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 33' ' ' CYS . . . . . 0.426 ' SG ' ' SG ' ' A' ' 7' ' ' CYS . 87.4 m -71.68 144.02 49.5 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.447 1.092 . . . . 0.0 108.29 -168.884 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 13.2 t70 -131.51 120.17 22.57 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.491 1.12 . . . . 0.0 109.333 173.405 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 35' ' ' CYS . . . . . . . . . . . . . 40.0 m -105.24 141.79 36.16 Favored 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.504 1.128 . . . . 0.0 108.343 -170.425 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 36' ' ' PHE . . . . . . . . . . . . . 45.3 p90 . . . . . 0 C--N 1.323 -0.553 0 O-C-N 124.469 1.105 . . . . 0.0 111.017 178.437 . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A ' 1' ' ' ARG . . . . . . . . . . . . . 18.9 mmm180 . . . . . 0 N--CA 1.454 -0.26 0 N-CA-C 110.366 -0.235 . . . . 0.0 110.366 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.03 155.74 42.79 Favored 'Trans proline' 0 C--N 1.359 1.127 0 O-C-N 124.495 1.787 . . . . 0.0 111.005 -178.353 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 10.7 p -129.39 -159.61 0.97 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.471 1.107 . . . . 0.0 110.432 172.862 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 7.1 p-10 -127.37 20.06 6.8 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.486 1.116 . . . . 0.0 109.312 175.608 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 5' ' ' ILE . . . . . . . . . . . . . 76.5 mt -80.87 113.32 20.12 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.471 1.107 . . . . 0.0 109.257 176.661 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 63.4 tttm -72.38 144.22 48.3 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.481 1.113 . . . . 0.0 109.321 -172.956 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 7' ' ' CYS . . . . . 0.53 ' SG ' ' SG ' ' A' ' 13' ' ' CYS . 6.3 p -155.79 154.95 32.17 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.489 1.118 . . . . 0.0 108.296 -178.519 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 63.8 p -96.14 -29.02 14.3 Favored 'General case' 0 C--N 1.324 -0.531 0 O-C-N 124.586 1.179 . . . . 0.0 110.018 170.654 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 48.3 mm-40 -149.4 162.56 39.85 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.466 1.104 . . . . 0.0 110.324 -165.133 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 42.4 m -80.14 -33.27 38.66 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.499 1.124 . . . . 0.0 109.984 -163.711 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 17.7 p90 -70.34 -11.75 61.12 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.435 1.085 . . . . 0.0 111.01 -177.073 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 85.8 mt-30 -76.41 -31.87 58.19 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.53 1.144 . . . . 0.0 110.3 173.827 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 13' ' ' CYS . . . . . 0.53 ' SG ' ' SG ' ' A' ' 7' ' ' CYS . 73.1 m -85.38 -40.07 16.89 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.536 1.147 . . . . 0.0 108.279 -170.296 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 14' ' ' PHE . . . . . 0.588 ' N ' ' CD ' ' A' ' 15' ' ' PRO . 0.1 OUTLIER -58.27 -44.91 99.66 Favored Pre-proline 0 C--N 1.326 -0.441 0 O-C-N 124.485 1.115 . . . . 0.0 111.026 -160.71 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 15' ' ' PRO . . . . . 0.588 ' CD ' ' N ' ' A' ' 14' ' ' PHE . 18.5 Cg_endo -74.93 -29.94 7.82 Favored 'Trans proline' 0 C--N 1.36 1.156 0 O-C-N 124.439 1.758 . . . . 0.0 111.019 -179.56 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 1.0 OUTLIER -68.41 -36.36 74.54 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.432 1.082 . . . . 0.0 109.335 179.718 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 93.6 m -75.16 -39.82 60.05 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.449 1.093 . . . . 0.0 108.331 -177.539 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 28.2 ttpp -67.05 -34.24 77.26 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.542 1.151 . . . . 0.0 109.233 -179.089 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 47.1 t -74.14 -50.15 20.68 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.551 1.157 . . . . 0.0 109.994 179.826 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 26.6 tpt180 -79.67 -60.36 2.38 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.51 1.131 . . . . 0.0 110.308 -168.35 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 45.7 m-85 -96.79 -21.2 17.68 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.482 1.114 . . . . 0.0 111.027 -168.109 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 79.19 29.16 51.52 Favored Glycine 0 CA--C 1.529 0.939 0 O-C-N 124.579 1.175 . . . . 0.0 111.012 -178.635 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 8.7 mmtp -80.14 164.2 23.51 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.511 0.771 . . . . 0.0 109.324 179.994 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 6.6 p -75.73 -38.55 58.42 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.493 1.12 . . . . 0.0 110.399 -175.247 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 60.4 t30 -157.57 159.57 37.25 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.483 1.115 . . . . 0.0 109.247 -178.224 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -148.11 146.67 16.55 Favored Glycine 0 CA--C 1.531 1.045 0 O-C-N 124.497 1.123 . . . . 0.0 110.995 174.461 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 94.3 mtt-85 -139.67 156.03 47.06 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.578 0.811 . . . . 0.0 110.224 -175.439 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 8.4 t -89.67 102.95 15.64 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.536 1.147 . . . . 0.0 108.286 -169.674 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 98.2 t -97.64 109.97 24.5 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.485 1.116 . . . . 0.0 109.315 179.313 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 34.4 m-20 58.47 36.61 25.42 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.484 1.115 . . . . 0.0 109.287 172.094 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . 88.39 5.95 74.88 Favored Glycine 0 CA--C 1.53 1.018 0 O-C-N 124.597 1.186 . . . . 0.0 110.997 169.557 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 32' ' ' PHE . . . . . . . . . . . . . 79.8 m-85 -138.33 143.64 40.0 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.5 0.765 . . . . 0.0 110.984 178.312 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 33' ' ' CYS . . . . . . . . . . . . . 74.3 m -70.45 144.98 51.29 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.572 1.17 . . . . 0.0 108.273 -168.38 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 10.8 t0 -129.02 121.72 28.51 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.455 1.097 . . . . 0.0 109.338 167.924 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 35' ' ' CYS . . . . . . . . . . . . . 61.7 m -111.55 126.04 54.56 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.452 1.095 . . . . 0.0 108.307 -167.713 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 36' ' ' PHE . . . . . . . . . . . . . 45.8 p90 . . . . . 0 C--N 1.324 -0.507 0 O-C-N 124.53 1.144 . . . . 0.0 110.987 -172.783 . . . . . . . . 0 0 . 1 stop_ save_