data_6mk4_residue ############################ # Computer software used # ############################ 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 6mk4 _Structure_validation_residue.Date_analyzed 2018-12-14 loop_ _Residue_analysis_software.Software_ID _Residue_analysis_software.Software_label _Residue_analysis_software.Method_ID _Residue_analysis_software.Method_label _Residue_analysis_software.Entry_ID _Residue_analysis_software.Structure_validation_oneline_list_ID 1 MolProbity . . ? 1 2 CYRANGE . . ? 1 stop_ loop_ _Residue_analysis.ID _Residue_analysis.PDB_model_num _Residue_analysis.Hydrogen_positions _Residue_analysis.MolProbity_flips _Residue_analysis.Cyrange_core_flag _Residue_analysis.Two_letter_chain_ID _Residue_analysis.PDB_strand_ID _Residue_analysis.PDB_residue_no _Residue_analysis.PDB_ins_code _Residue_analysis.PDB_residue_name _Residue_analysis.Assembly_ID _Residue_analysis.Entity_assembly_ID _Residue_analysis.Entity_ID _Residue_analysis.Comp_ID _Residue_analysis.Comp_index_ID _Residue_analysis.Clash_value _Residue_analysis.Clash_source_PDB_atom_name _Residue_analysis.Clash_destination_PDB_atom_name _Residue_analysis.Clash_destination_PDB_strand_ID _Residue_analysis.Clash_destination_PDB_residue_no _Residue_analysis.Clash_destination_PDB_ins_code _Residue_analysis.Clash_destination_PDB_residue_name _Residue_analysis.Cbeta_deviation_value _Residue_analysis.Rotamer_score _Residue_analysis.Rotamer_name _Residue_analysis.Ramachandran_phi _Residue_analysis.Ramachandran_psi _Residue_analysis.Ramachandran_score _Residue_analysis.Ramachandran_evaluation _Residue_analysis.Ramachandran_type _Residue_analysis.Bond_outlier_count _Residue_analysis.Worst_bond _Residue_analysis.Worst_bond_value _Residue_analysis.Worst_bond_sigma _Residue_analysis.Angle_outlier_count _Residue_analysis.Worst_angle _Residue_analysis.Worst_angle_value _Residue_analysis.Worst_angle_sigma _Residue_analysis.RNA_phosphate_perpendicular_outlier _Residue_analysis.RNA_suitness_score _Residue_analysis.RNA_suite_conformer _Residue_analysis.RNA_suite_triage _Residue_analysis.Max_b_factor _Residue_analysis.Tau_angle _Residue_analysis.Omega_dihedral _Residue_analysis.Disulfide_chi1 _Residue_analysis.Disulfide_chi2 _Residue_analysis.Disulfide_chi3 _Residue_analysis.Disulfide_ss_angle _Residue_analysis.Disulfide_ss _Residue_analysis.Disulfide_ss_angle_prime _Residue_analysis.Disulfide_chi2prime _Residue_analysis.Disulfide_chi1prime _Residue_analysis.Outlier_count_separate_geometry _Residue_analysis.Outlier_count _Residue_analysis.Entry_ID _Residue_analysis.Structure_validation_residue_list_ID . 001 nuclear orig core ' A' A ' 3' ' ' GLN . . . . . 0.474 ' HB2' ' HA ' ' A' ' 15' ' ' CYS . 13.5 mm100 . . . . . 0 N--CA 1.434 -1.23 0 CA-C-O 121.579 0.704 . . . . 0.0 111.196 . . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 59.3 mtpt -77.05 173.69 11.51 Favored 'General case' 0 C--N 1.317 -0.833 0 CA-C-N 113.934 -1.484 . . . . 0.0 111.437 -176.565 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 5' ' ' TRP . . . . . . . . . . . . . 12.5 p-90 -61.25 -31.82 71.62 Favored 'General case' 0 N--CA 1.478 0.949 0 N-CA-C 111.974 0.361 . . . . 0.0 111.974 -175.529 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 6' ' ' MET . . . . . . . . . . . . . 22.9 ptp -93.02 8.38 40.18 Favored 'General case' 0 N--CA 1.442 -0.841 0 CA-C-O 121.566 0.698 . . . . 0.0 110.683 -178.386 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 7' ' ' TRP . . . . . . . . . . . . . 38.2 m0 -107.22 -178.37 3.62 Favored 'General case' 0 C--O 1.255 1.37 0 N-CA-C 108.764 -0.828 . . . . 0.0 108.764 179.508 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 8' ' ' THR . . . . . 0.484 ' HA ' ' HA ' ' A' ' 24' ' ' TRP . 66.4 p -130.29 165.1 23.17 Favored 'General case' 0 C--N 1.305 -1.36 0 N-CA-C 108.182 -1.044 . . . . 0.0 108.182 -178.924 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 9' ' ' CYS . . . . . 0.66 ' HB2' ' O ' ' A' ' 13' ' ' ARG . 25.2 p -123.57 -179.67 4.44 Favored 'General case' 0 C--O 1.248 1.002 0 C-N-CA 116.897 -1.921 . . . . 0.0 111.827 176.927 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 10' ' ' ASP . . . . . 0.464 ' CG ' ' H ' ' A' ' 11' ' ' SER . 31.7 t70 -150.37 -167.01 2.7 Favored 'General case' 0 C--N 1.317 -0.808 0 N-CA-C 106.579 -1.638 . . . . 0.0 106.579 -175.779 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 11' ' ' SER . . . . . 0.464 ' H ' ' CG ' ' A' ' 10' ' ' ASP . 14.3 m -72.87 -28.94 62.81 Favored 'General case' 0 C--N 1.307 -1.269 0 N-CA-C 108.823 -0.806 . . . . 0.0 108.823 178.17 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 35.7 mt-10 -93.29 -53.82 3.94 Favored 'General case' 0 N--CA 1.447 -0.621 0 CA-C-N 115.714 -0.675 . . . . 0.0 109.983 177.851 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 13' ' ' ARG . . . . . 0.66 ' O ' ' HB2' ' A' ' 9' ' ' CYS . 55.0 mtm180 -71.26 118.47 14.09 Favored 'General case' 0 C--O 1.217 -0.655 0 CA-C-N 116.126 -0.488 . . . . 0.0 109.879 -179.629 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 99.7 mttt -105.23 143.09 33.89 Favored 'General case' 0 C--N 1.314 -0.966 0 CA-C-N 117.593 0.179 . . . . 0.0 110.806 178.485 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 15' ' ' CYS . . . . . 0.495 ' SG ' ' HB3' ' A' ' 9' ' ' CYS . 82.5 m -75.75 151.35 37.62 Favored 'General case' 0 C--N 1.317 -0.821 0 N-CA-C 109.488 -0.56 . . . . 0.0 109.488 175.98 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 55.3 m -61.81 142.95 57.0 Favored 'General case' 0 C--N 1.309 -1.195 0 N-CA-C 109.701 -0.481 . . . . 0.0 109.701 177.982 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 97.1 mttt -58.76 136.04 57.63 Favored 'General case' 0 C--O 1.241 0.624 0 C-N-CA 122.961 0.504 . . . . 0.0 110.634 -178.47 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 111.94 -16.35 25.58 Favored Glycine 0 C--N 1.305 -1.194 0 N-CA-C 108.83 -1.708 . . . . 0.0 108.83 -174.495 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 19' ' ' MET . . . . . 0.506 ' HG2' ' HA ' ' A' ' 27' ' ' LYS . 71.0 mtm -122.12 161.07 23.78 Favored 'General case' 0 N--CA 1.432 -1.346 0 N-CA-C 107.245 -1.391 . . . . 0.0 107.245 174.999 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 26.9 m -106.86 144.28 16.16 Favored 'Isoleucine or valine' 0 C--N 1.292 -1.933 0 N-CA-C 110.098 -0.334 . . . . 0.0 110.098 -179.678 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 29.8 t -79.92 126.79 31.46 Favored 'General case' 0 C--N 1.306 -1.318 0 N-CA-C 108.952 -0.759 . . . . 0.0 108.952 179.935 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 22' ' ' ARG . . . . . 0.404 ' N ' ' SG ' ' A' ' 9' ' ' CYS . 10.5 tpp180 -159.05 -174.53 4.78 Favored 'General case' 0 C--O 1.278 2.593 0 N-CA-C 106.517 -1.66 . . . . 0.0 106.517 -176.747 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 96.0 mt -45.79 -32.88 2.77 Favored 'General case' 0 N--CA 1.471 0.587 0 C-N-CA 123.68 0.792 . . . . 0.0 110.553 174.878 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 24' ' ' TRP . . . . . 0.484 ' HA ' ' HA ' ' A' ' 8' ' ' THR . 12.9 p90 -137.73 161.9 35.32 Favored 'General case' 0 N--CA 1.42 -1.974 0 N-CA-C 105.997 -1.853 . . . . 0.0 105.997 173.343 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 77.8 m -80.49 120.35 24.36 Favored 'General case' 0 C--N 1.307 -1.282 0 CA-C-N 118.514 0.597 . . . . 0.0 110.553 178.945 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 29.1 ttpp -119.59 133.39 55.68 Favored 'General case' 0 C--N 1.306 -1.292 0 CA-C-N 115.958 -0.564 . . . . 0.0 110.158 -175.001 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 27' ' ' LYS . . . . . 0.506 ' HA ' ' HG2' ' A' ' 19' ' ' MET . 60.7 pttt . . . . . 0 C--O 1.242 0.668 0 CA-C-O 121.172 0.51 . . . . 0.0 111.266 177.95 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 3' ' ' GLN . . . . . 0.472 ' HB2' ' HA ' ' A' ' 15' ' ' CYS . 12.2 mm100 . . . . . 0 N--CA 1.435 -1.201 0 CA-C-O 121.115 0.483 . . . . 0.0 111.582 . . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 14.0 mmmm -88.79 170.46 10.74 Favored 'General case' 0 C--N 1.303 -1.422 0 CA-C-N 114.774 -1.103 . . . . 0.0 109.23 179.312 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 5' ' ' TRP . . . . . . . . . . . . . 11.4 p-90 -72.86 -11.79 60.73 Favored 'General case' 0 C--N 1.318 -0.764 0 CA-C-O 121.363 0.601 . . . . 0.0 110.254 -177.417 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 6' ' ' MET . . . . . 0.499 ' HG3' ' CD1' ' A' ' 7' ' ' TRP . 26.6 ptm -88.08 -5.9 58.21 Favored 'General case' 0 C--N 1.31 -1.114 0 CA-C-N 115.641 -0.709 . . . . 0.0 110.031 179.039 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 7' ' ' TRP . . . . . 0.499 ' CD1' ' HG3' ' A' ' 6' ' ' MET . 36.9 m0 -116.96 -174.28 2.55 Favored 'General case' 0 C--O 1.241 0.637 0 CA-C-O 121.251 0.548 . . . . 0.0 109.932 -178.77 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 8' ' ' THR . . . . . 0.598 ' HB ' ' O ' ' A' ' 23' ' ' LEU . 70.1 p -122.66 161.63 23.47 Favored 'General case' 0 C--N 1.298 -1.652 0 N-CA-C 107.66 -1.237 . . . . 0.0 107.66 -179.83 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 9.4 p -121.56 140.2 52.53 Favored 'General case' 0 CA--C 1.499 -0.992 0 C-N-CA 117.326 -1.75 . . . . 0.0 112.077 176.125 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 10' ' ' ASP . . . . . 0.509 ' H ' ' HB2' ' A' ' 13' ' ' ARG . 4.6 m-20 -94.25 -170.58 2.32 Favored 'General case' 0 C--N 1.294 -1.821 0 N-CA-C 107.166 -1.42 . . . . 0.0 107.166 176.307 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 8.0 m -64.67 -45.21 87.67 Favored 'General case' 0 C--N 1.307 -1.275 0 CA-C-O 120.956 0.408 . . . . 0.0 111.29 -175.932 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 38.6 mm-40 -92.33 -1.42 57.07 Favored 'General case' 0 C--N 1.322 -0.614 0 N-CA-C 111.997 0.369 . . . . 0.0 111.997 -178.803 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 13' ' ' ARG . . . . . 0.509 ' HB2' ' H ' ' A' ' 10' ' ' ASP . 6.7 mmp_? -85.53 117.7 24.59 Favored 'General case' 0 CA--C 1.493 -1.22 0 C-N-CA 119.557 -0.857 . . . . 0.0 109.806 177.16 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 59.4 mtpt -91.05 110.3 21.56 Favored 'General case' 0 C--N 1.277 -2.584 0 CA-C-N 114.967 -1.015 . . . . 0.0 109.214 -179.738 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 15' ' ' CYS . . . . . 0.472 ' HA ' ' HB2' ' A' ' 3' ' ' GLN . 18.1 t -79.5 152.39 30.23 Favored 'General case' 0 C--N 1.3 -1.575 0 CA-C-N 114.818 -1.083 . . . . 0.0 108.273 -179.331 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 80.5 m -62.46 147.12 49.73 Favored 'General case' 0 C--N 1.311 -1.068 0 N-CA-C 113.269 0.841 . . . . 0.0 113.269 -174.805 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 85.9 tttt -68.14 128.69 37.48 Favored 'General case' 0 N--CA 1.442 -0.85 0 CA-C-N 115.574 -0.739 . . . . 0.0 110.846 -175.806 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 112.65 -16.47 23.79 Favored Glycine 0 C--N 1.302 -1.357 0 N-CA-C 109.501 -1.44 . . . . 0.0 109.501 -175.193 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 19' ' ' MET . . . . . . . . . . . . . 65.2 mtt -103.82 159.72 15.4 Favored 'General case' 0 C--N 1.31 -1.15 0 N-CA-C 107.862 -1.162 . . . . 0.0 107.862 176.828 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 90.8 t -105.84 122.2 59.1 Favored 'Isoleucine or valine' 0 C--N 1.283 -2.315 0 N-CA-C 107.866 -1.161 . . . . 0.0 107.866 177.658 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 28.0 t -77.26 131.31 38.11 Favored 'General case' 0 N--CA 1.425 -1.686 0 N-CA-C 108.56 -0.904 . . . . 0.0 108.56 -179.222 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 22' ' ' ARG . . . . . 0.498 ' HA ' ' HE ' ' A' ' 22' ' ' ARG . 2.1 tpm_? -159.69 -170.79 3.03 Favored 'General case' 0 N--CA 1.415 -2.22 0 N-CA-C 104.775 -2.306 . . . . 0.0 104.775 -177.757 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 23' ' ' LEU . . . . . 0.598 ' O ' ' HB ' ' A' ' 8' ' ' THR . 93.9 mt -51.05 -24.1 3.59 Favored 'General case' 0 N--CA 1.471 0.594 0 C-N-CA 123.219 0.608 . . . . 0.0 110.454 174.374 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 24' ' ' TRP . . . . . 0.469 ' HA ' ' HA ' ' A' ' 8' ' ' THR . 16.5 p90 -135.62 159.14 42.53 Favored 'General case' 0 N--CA 1.425 -1.715 0 N-CA-C 106.512 -1.662 . . . . 0.0 106.512 173.074 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 32.7 m -86.14 129.88 34.7 Favored 'General case' 0 C--N 1.31 -1.142 0 CA-C-N 118.821 0.737 . . . . 0.0 110.37 174.66 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 63.5 tttp -113.81 123.4 49.74 Favored 'General case' 0 C--N 1.298 -1.638 0 N-CA-C 108.105 -1.072 . . . . 0.0 108.105 -176.907 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 23.9 pttm . . . . . 0 C--O 1.25 1.127 0 N-CA-C 108.969 -0.752 . . . . 0.0 108.969 -177.797 . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 3' ' ' GLN . . . . . 0.499 ' HG2' ' O ' ' A' ' 14' ' ' LYS . 10.3 mm100 . . . . . 0 N--CA 1.434 -1.226 0 N-CA-C 109.195 -0.669 . . . . 0.0 109.195 . . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 63.6 mttm -83.14 177.18 8.69 Favored 'General case' 0 C--N 1.31 -1.133 0 CA-C-N 115.459 -0.791 . . . . 0.0 109.805 -178.753 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 5' ' ' TRP . . . . . . . . . . . . . 44.3 p90 -65.61 -25.89 67.59 Favored 'General case' 0 C--N 1.323 -0.578 0 N-CA-C 112.573 0.583 . . . . 0.0 112.573 -174.966 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 6' ' ' MET . . . . . . . . . . . . . 56.3 ttp -90.21 -4.03 57.47 Favored 'General case' 0 C--N 1.316 -0.865 0 CA-C-O 122.646 1.212 . . . . 0.0 109.71 179.505 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 7' ' ' TRP . . . . . . . . . . . . . 13.7 m0 -96.08 -176.81 3.8 Favored 'General case' 0 C--N 1.292 -1.916 0 CA-C-N 114.539 -1.21 . . . . 0.0 109.077 -178.697 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 8' ' ' THR . . . . . 0.544 ' HA ' ' HA ' ' A' ' 24' ' ' TRP . 38.3 p -132.11 154.65 49.26 Favored 'General case' 0 C--N 1.298 -1.672 0 N-CA-C 108.18 -1.045 . . . . 0.0 108.18 -178.219 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 9' ' ' CYS . . . . . 0.414 ' HB2' ' O ' ' A' ' 13' ' ' ARG . 26.6 p -128.18 176.75 7.42 Favored 'General case' 0 C--O 1.249 1.073 0 C-N-CA 117.319 -1.752 . . . . 0.0 112.494 -179.76 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 14.1 m-20 -148.52 -166.98 2.69 Favored 'General case' 0 C--N 1.309 -1.164 0 N-CA-C 106.815 -1.55 . . . . 0.0 106.815 -177.762 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 12.6 t -74.85 -36.84 62.33 Favored 'General case' 0 N--CA 1.426 -1.672 0 N-CA-C 107.414 -1.328 . . . . 0.0 107.414 174.587 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 46.1 mt-10 -73.93 -57.01 4.26 Favored 'General case' 0 N--CA 1.451 -0.4 0 CA-C-N 115.825 -0.625 . . . . 0.0 111.019 177.53 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 13' ' ' ARG . . . . . 0.414 ' O ' ' HB2' ' A' ' 9' ' ' CYS . 70.9 mtm180 -76.47 112.0 12.53 Favored 'General case' 0 C--N 1.324 -0.531 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.178 -178.903 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 14' ' ' LYS . . . . . 0.499 ' O ' ' HG2' ' A' ' 3' ' ' GLN . 75.1 mmtt -87.05 141.32 28.75 Favored 'General case' 0 CA--C 1.492 -1.262 0 CA-C-O 121.219 0.533 . . . . 0.0 110.659 -177.03 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 22.5 t -94.05 160.05 14.89 Favored 'General case' 0 C--N 1.27 -2.854 0 CA-C-N 115.188 -0.915 . . . . 0.0 109.133 -176.747 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 16' ' ' CYS . . . . . 0.437 ' HB2' ' SD ' ' A' ' 19' ' ' MET . 79.1 m -70.75 153.98 42.27 Favored 'General case' 0 C--O 1.254 1.312 0 CA-C-O 121.561 0.696 . . . . 0.0 112.178 -177.635 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 27.2 ttpp -66.83 137.59 56.71 Favored 'General case' 0 C--O 1.247 0.937 0 N-CA-C 108.688 -0.856 . . . . 0.0 108.688 177.445 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 95.98 5.87 59.45 Favored Glycine 0 N--CA 1.432 -1.623 0 N-CA-C 109.88 -1.288 . . . . 0.0 109.88 -176.26 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 19' ' ' MET . . . . . 0.437 ' SD ' ' HB2' ' A' ' 16' ' ' CYS . 52.6 mtt -125.35 160.7 28.71 Favored 'General case' 0 N--CA 1.432 -1.372 0 N-CA-C 109.624 -0.51 . . . . 0.0 109.624 176.323 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 20' ' ' VAL . . . . . 0.461 ' HB ' ' HB3' ' A' ' 26' ' ' LYS . 77.0 t -106.91 125.8 62.92 Favored 'Isoleucine or valine' 0 C--N 1.278 -2.521 0 N-CA-C 106.684 -1.599 . . . . 0.0 106.684 178.78 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 18.8 t -81.59 131.97 35.29 Favored 'General case' 0 C--N 1.304 -1.406 0 C-N-CA 120.519 -0.472 . . . . 0.0 109.737 -177.414 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 22' ' ' ARG . . . . . 0.456 ' HG3' ' H ' ' A' ' 23' ' ' LEU . 16.2 tpp180 -158.18 -169.84 2.93 Favored 'General case' 0 C--O 1.278 2.558 0 N-CA-C 105.377 -2.083 . . . . 0.0 105.377 -177.523 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 23' ' ' LEU . . . . . 0.533 ' O ' ' HB ' ' A' ' 8' ' ' THR . 92.3 mt -52.01 -29.39 20.67 Favored 'General case' 0 N--CA 1.471 0.594 0 CA-C-O 121.052 0.454 . . . . 0.0 110.134 174.817 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 24' ' ' TRP . . . . . 0.544 ' HA ' ' HA ' ' A' ' 8' ' ' THR . 27.3 p90 -130.88 167.84 18.28 Favored 'General case' 0 N--CA 1.427 -1.588 0 N-CA-C 106.106 -1.813 . . . . 0.0 106.106 173.252 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 34.3 m -86.88 127.81 35.05 Favored 'General case' 0 C--N 1.3 -1.544 0 C-N-CA 119.159 -1.017 . . . . 0.0 111.438 176.025 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 26' ' ' LYS . . . . . 0.461 ' HB3' ' HB ' ' A' ' 20' ' ' VAL . 84.9 tttt -109.19 151.41 26.52 Favored 'General case' 0 C--N 1.294 -1.834 0 N-CA-C 107.098 -1.445 . . . . 0.0 107.098 -178.292 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 92.4 mttt . . . . . 0 C--N 1.29 -2.005 0 N-CA-C 109.578 -0.527 . . . . 0.0 109.578 179.893 . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 13.5 mm100 . . . . . 0 N--CA 1.428 -1.567 0 CA-C-O 121.099 0.476 . . . . 0.0 111.515 . . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 94.3 mttt -94.36 168.8 10.66 Favored 'General case' 0 C--N 1.307 -1.25 0 CA-C-N 114.882 -1.054 . . . . 0.0 108.388 179.254 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 5' ' ' TRP . . . . . . . . . . . . . 29.7 p-90 -62.57 -24.06 67.34 Favored 'General case' 0 N--CA 1.484 1.234 0 CA-C-O 121.834 0.826 . . . . 0.0 109.78 179.318 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 6' ' ' MET . . . . . . . . . . . . . 49.1 ttm -78.74 -24.66 44.68 Favored 'General case' 0 N--CA 1.425 -1.717 0 CA-C-N 114.22 -1.355 . . . . 0.0 111.013 -175.621 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 7' ' ' TRP . . . . . . . . . . . . . 38.5 m0 -94.46 174.77 6.96 Favored 'General case' 0 C--N 1.304 -1.411 0 CA-C-N 116.013 -0.54 . . . . 0.0 110.325 -178.11 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 8' ' ' THR . . . . . 0.491 ' HA ' ' HA ' ' A' ' 24' ' ' TRP . 75.1 p -122.17 173.94 7.27 Favored 'General case' 0 C--N 1.29 -2.018 0 N-CA-C 108.905 -0.776 . . . . 0.0 108.905 -176.185 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 9' ' ' CYS . . . . . 0.69 ' HB3' ' SG ' ' A' ' 15' ' ' CYS . 11.4 p -120.51 169.21 10.56 Favored 'General case' 0 C--O 1.251 1.141 0 C-N-CA 117.093 -1.843 . . . . 0.0 110.406 174.602 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 24.4 m-20 -137.42 -152.54 0.44 Allowed 'General case' 0 C--N 1.31 -1.114 0 N-CA-C 104.704 -2.332 . . . . 0.0 104.704 178.964 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 50.4 m -78.52 -38.02 41.65 Favored 'General case' 0 C--N 1.312 -1.057 0 C-N-CA 119.569 -0.852 . . . . 0.0 110.263 174.083 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 2.5 mp0 -87.13 -55.7 3.7 Favored 'General case' 0 C--O 1.233 0.223 0 C-N-CA 120.665 -0.414 . . . . 0.0 112.053 -178.987 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 13' ' ' ARG . . . . . 0.543 ' O ' ' HB2' ' A' ' 9' ' ' CYS . 57.1 mtm180 -71.18 111.59 6.65 Favored 'General case' 0 CA--C 1.505 -0.752 0 N-CA-C 108.153 -1.054 . . . . 0.0 108.153 175.035 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 23.0 pttp -106.2 148.3 28.06 Favored 'General case' 0 C--N 1.298 -1.631 0 N-CA-C 109.917 -0.401 . . . . 0.0 109.917 176.496 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 15' ' ' CYS . . . . . 0.69 ' SG ' ' HB3' ' A' ' 9' ' ' CYS . 61.2 m -75.52 147.72 39.53 Favored 'General case' 0 C--N 1.307 -1.259 0 N-CA-C 109.096 -0.705 . . . . 0.0 109.096 178.671 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 74.2 m -72.18 162.18 29.83 Favored 'General case' 0 C--N 1.306 -1.299 0 CA-C-O 120.635 0.255 . . . . 0.0 111.566 -178.221 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 65.1 tttm -62.08 131.7 50.41 Favored 'General case' 0 N--CA 1.442 -0.866 0 N-CA-C 109.387 -0.597 . . . . 0.0 109.387 179.229 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 112.29 -11.64 26.36 Favored Glycine 0 C--N 1.301 -1.389 0 N-CA-C 108.16 -1.976 . . . . 0.0 108.16 -171.622 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 19' ' ' MET . . . . . . . . . . . . . 65.0 mtt -134.11 157.36 46.37 Favored 'General case' 0 N--CA 1.429 -1.518 0 N-CA-C 106.803 -1.554 . . . . 0.0 106.803 175.569 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 29.3 m -108.53 141.7 23.09 Favored 'Isoleucine or valine' 0 C--N 1.279 -2.461 0 N-CA-C 108.764 -0.828 . . . . 0.0 108.764 174.001 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 21' ' ' CYS . . . . . 0.416 ' HA ' ' SG ' ' A' ' 15' ' ' CYS . 46.7 t -68.75 110.15 4.18 Favored 'General case' 0 N--CA 1.439 -0.996 0 N-CA-C 107.027 -1.471 . . . . 0.0 107.027 177.973 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 6.4 tpt180 -145.27 -169.92 3.31 Favored 'General case' 0 C--O 1.281 2.752 0 N-CA-C 108.228 -1.027 . . . . 0.0 108.228 -174.759 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 23' ' ' LEU . . . . . 0.438 ' O ' ' HB ' ' A' ' 8' ' ' THR . 82.7 mt -47.29 -45.55 24.28 Favored 'General case' 0 N--CA 1.483 1.217 0 C-N-CA 124.159 0.984 . . . . 0.0 108.975 179.263 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 24' ' ' TRP . . . . . 0.491 ' HA ' ' HA ' ' A' ' 8' ' ' THR . 37.2 p90 -131.76 159.59 38.02 Favored 'General case' 0 N--CA 1.416 -2.148 0 N-CA-C 104.804 -2.295 . . . . 0.0 104.804 170.481 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 93.4 m -66.98 112.59 4.42 Favored 'General case' 0 C--N 1.314 -0.977 0 CA-C-O 121.847 0.832 . . . . 0.0 110.392 -179.497 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 63.1 tttm -107.8 125.75 51.8 Favored 'General case' 0 N--CA 1.421 -1.917 0 CA-C-N 114.716 -1.129 . . . . 0.0 110.098 -172.571 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 33.5 mmtp . . . . . 0 CA--C 1.499 -0.987 0 CA-C-O 121.992 0.901 . . . . 0.0 112.163 179.008 . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 3' ' ' GLN . . . . . 0.408 ' HB2' ' HA ' ' A' ' 15' ' ' CYS . 12.4 mm100 . . . . . 0 CA--C 1.51 -0.564 0 CA-C-O 121.144 0.497 . . . . 0.0 112.174 . . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 4' ' ' LYS . . . . . 0.418 ' HE2' ' CH2' ' A' ' 7' ' ' TRP . 54.5 mttm -95.01 168.43 10.78 Favored 'General case' 0 C--N 1.31 -1.132 0 CA-C-N 114.684 -1.144 . . . . 0.0 108.255 179.461 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 5' ' ' TRP . . . . . . . . . . . . . 27.0 p-90 -63.66 -23.81 67.53 Favored 'General case' 0 N--CA 1.494 1.763 0 CA-C-O 121.755 0.788 . . . . 0.0 110.573 -178.889 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 6' ' ' MET . . . . . . . . . . . . . 52.0 ttp -78.09 -18.85 55.21 Favored 'General case' 0 N--CA 1.43 -1.469 0 CA-C-N 114.717 -1.129 . . . . 0.0 110.358 -178.875 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 7' ' ' TRP . . . . . 0.418 ' CH2' ' HE2' ' A' ' 4' ' ' LYS . 51.9 m0 -103.88 172.72 6.65 Favored 'General case' 0 C--N 1.302 -1.481 0 CA-C-N 115.405 -0.816 . . . . 0.0 109.771 -178.036 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 8' ' ' THR . . . . . 0.631 ' HB ' ' O ' ' A' ' 23' ' ' LEU . 73.1 p -110.98 169.93 8.44 Favored 'General case' 0 C--N 1.293 -1.859 0 N-CA-C 108.081 -1.081 . . . . 0.0 108.081 179.452 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 9' ' ' CYS . . . . . 0.424 ' SG ' ' HB2' ' A' ' 15' ' ' CYS . 26.4 p -133.6 177.01 8.03 Favored 'General case' 0 C--O 1.244 0.788 0 C-N-CA 117.281 -1.767 . . . . 0.0 112.088 178.672 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 4.9 m-20 -147.0 -164.7 2.06 Favored 'General case' 0 CA--C 1.498 -1.023 0 N-CA-C 108.385 -0.969 . . . . 0.0 108.385 -175.998 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 19.4 p -69.68 -43.16 73.07 Favored 'General case' 0 N--CA 1.433 -1.302 0 N-CA-C 109.825 -0.435 . . . . 0.0 109.825 176.645 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 42.3 mt-10 -89.82 -39.38 13.13 Favored 'General case' 0 N--CA 1.44 -0.966 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.774 -179.698 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 63.2 mtm180 -73.18 111.47 8.33 Favored 'General case' 0 C--O 1.237 0.397 0 C-N-CA 119.17 -1.012 . . . . 0.0 109.016 176.267 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 58.0 mtpt -85.02 127.0 34.01 Favored 'General case' 0 C--N 1.308 -1.238 0 CA-C-N 115.468 -0.787 . . . . 0.0 111.119 -173.406 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 15' ' ' CYS . . . . . 0.424 ' HB2' ' SG ' ' A' ' 9' ' ' CYS . 22.9 t -94.21 141.79 28.15 Favored 'General case' 0 C--N 1.3 -1.581 0 N-CA-C 107.898 -1.149 . . . . 0.0 107.898 177.684 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 80.7 m -69.6 142.81 53.46 Favored 'General case' 0 C--N 1.293 -1.873 0 CA-C-O 121.246 0.546 . . . . 0.0 111.629 -175.871 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 57.4 mttp -64.1 140.39 58.86 Favored 'General case' 0 CA--C 1.507 -0.677 0 N-CA-C 109.469 -0.567 . . . . 0.0 109.469 176.91 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 112.46 -13.03 25.64 Favored Glycine 0 C--N 1.29 -1.976 0 N-CA-C 107.813 -2.115 . . . . 0.0 107.813 -171.081 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 19' ' ' MET . . . . . 0.422 ' HG2' ' HA ' ' A' ' 27' ' ' LYS . 60.4 mtm -127.37 162.99 25.0 Favored 'General case' 0 N--CA 1.423 -1.787 0 CA-C-N 113.481 -1.359 . . . . 0.0 108.129 174.076 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 57.8 t -105.85 128.68 59.9 Favored 'Isoleucine or valine' 0 C--N 1.289 -2.065 0 N-CA-C 106.832 -1.544 . . . . 0.0 106.832 179.492 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 32.8 t -87.04 131.35 34.13 Favored 'General case' 0 N--CA 1.428 -1.532 0 N-CA-C 109.339 -0.615 . . . . 0.0 109.339 -176.992 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 22' ' ' ARG . . . . . 0.416 ' HG3' ' H ' ' A' ' 23' ' ' LEU . 12.7 tpt180 -169.21 -156.02 0.15 Allowed 'General case' 0 C--O 1.284 2.88 0 N-CA-C 105.952 -1.87 . . . . 0.0 105.952 179.792 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 23' ' ' LEU . . . . . 0.631 ' O ' ' HB ' ' A' ' 8' ' ' THR . 6.7 tt -48.44 -37.0 16.06 Favored 'General case' 0 C--O 1.212 -0.912 0 C-N-CA 124.043 0.937 . . . . 0.0 109.05 177.597 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 24' ' ' TRP . . . . . . . . . . . . . 21.6 p90 -135.07 165.88 24.34 Favored 'General case' 0 N--CA 1.434 -1.245 0 N-CA-C 107.232 -1.396 . . . . 0.0 107.232 173.829 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 55.4 m -85.67 113.31 21.77 Favored 'General case' 0 C--N 1.315 -0.906 0 CA-C-N 118.197 0.453 . . . . 0.0 109.907 174.857 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 62.3 tttp -99.22 118.16 35.29 Favored 'General case' 0 C--N 1.305 -1.369 0 N-CA-C 108.834 -0.802 . . . . 0.0 108.834 -177.855 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 27' ' ' LYS . . . . . 0.422 ' HA ' ' HG2' ' A' ' 19' ' ' MET . 59.7 pttt . . . . . 0 C--N 1.302 -1.465 0 N-CA-C 112.973 0.731 . . . . 0.0 112.973 -176.055 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 3' ' ' GLN . . . . . 0.484 ' HB2' ' HA ' ' A' ' 15' ' ' CYS . 11.3 mm100 . . . . . 0 N--CA 1.437 -1.124 0 CA-C-O 121.354 0.597 . . . . 0.0 111.767 . . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 49.6 mtmt -90.88 172.52 8.55 Favored 'General case' 0 C--N 1.31 -1.126 0 CA-C-N 115.086 -0.961 . . . . 0.0 109.12 178.736 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 5' ' ' TRP . . . . . . . . . . . . . 47.9 p90 -67.04 -24.27 65.97 Favored 'General case' 0 C--N 1.315 -0.921 0 C-N-CA 123.127 0.571 . . . . 0.0 112.326 -176.836 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 6' ' ' MET . . . . . . . . . . . . . 58.6 ttp -82.33 -21.52 35.98 Favored 'General case' 0 C--N 1.323 -0.55 0 CA-C-O 122.255 1.026 . . . . 0.0 108.977 178.583 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 7' ' ' TRP . . . . . . . . . . . . . 46.2 m0 -87.93 174.59 8.23 Favored 'General case' 0 C--N 1.288 -2.086 0 CA-C-N 114.268 -1.333 . . . . 0.0 109.602 -179.248 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 8' ' ' THR . . . . . 0.508 ' HA ' ' HA ' ' A' ' 24' ' ' TRP . 71.9 p -125.95 167.61 15.05 Favored 'General case' 0 C--N 1.276 -2.612 0 N-CA-C 107.146 -1.427 . . . . 0.0 107.146 -176.417 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 9' ' ' CYS . . . . . 0.637 ' HB2' ' O ' ' A' ' 13' ' ' ARG . 20.2 p -120.05 175.49 5.9 Favored 'General case' 0 N--CA 1.435 -1.195 0 C-N-CA 116.539 -2.064 . . . . 0.0 110.789 178.984 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 30.0 m-20 -136.81 -165.72 1.78 Allowed 'General case' 0 C--N 1.309 -1.153 0 N-CA-C 106.44 -1.689 . . . . 0.0 106.44 -179.116 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 1.8 p -75.03 -35.23 61.93 Favored 'General case' 0 C--N 1.286 -2.184 0 CA-C-O 121.589 0.709 . . . . 0.0 109.576 173.102 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 9.3 pt-20 -84.84 -40.74 16.78 Favored 'General case' 0 C--N 1.32 -0.699 0 CA-C-N 115.426 -0.807 . . . . 0.0 111.443 179.473 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 13' ' ' ARG . . . . . 0.637 ' O ' ' HB2' ' A' ' 9' ' ' CYS . 83.6 mtm180 -98.89 115.83 29.76 Favored 'General case' 0 C--O 1.206 -1.223 0 N-CA-C 109.181 -0.674 . . . . 0.0 109.181 -179.844 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 38.4 mtmm -105.64 152.34 23.25 Favored 'General case' 0 C--N 1.298 -1.652 0 CA-C-O 120.754 0.311 . . . . 0.0 110.558 179.213 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 15' ' ' CYS . . . . . 0.577 ' SG ' ' HA ' ' A' ' 21' ' ' CYS . 55.7 m -75.29 153.66 37.81 Favored 'General case' 0 C--N 1.312 -1.034 0 N-CA-C 109.081 -0.711 . . . . 0.0 109.081 178.736 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 41.1 m -64.16 162.36 14.57 Favored 'General case' 0 C--O 1.25 1.091 0 CA-C-O 120.903 0.383 . . . . 0.0 111.433 -178.022 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 29.8 mtpp -63.98 126.47 27.78 Favored 'General case' 0 C--N 1.324 -0.51 0 N-CA-C 109.382 -0.599 . . . . 0.0 109.382 176.768 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 112.16 -7.22 27.03 Favored Glycine 0 C--N 1.306 -1.1 0 N-CA-C 109.833 -1.307 . . . . 0.0 109.833 -174.001 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 19' ' ' MET . . . . . . . . . . . . . 66.6 mtt -126.33 158.66 35.27 Favored 'General case' 0 C--N 1.308 -1.209 0 N-CA-C 108.236 -1.024 . . . . 0.0 108.236 176.46 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 11.2 p -107.02 135.78 44.33 Favored 'Isoleucine or valine' 0 C--N 1.29 -1.999 0 N-CA-C 108.359 -0.978 . . . . 0.0 108.359 175.661 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 21' ' ' CYS . . . . . 0.577 ' HA ' ' SG ' ' A' ' 15' ' ' CYS . 49.8 t -76.46 113.86 14.54 Favored 'General case' 0 N--CA 1.431 -1.408 0 N-CA-C 107.771 -1.196 . . . . 0.0 107.771 178.829 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 22' ' ' ARG . . . . . 0.481 ' HG3' ' H ' ' A' ' 23' ' ' LEU . 1.1 tpm_? -144.1 -169.41 3.11 Favored 'General case' 0 C--O 1.276 2.483 0 N-CA-C 107.043 -1.466 . . . . 0.0 107.043 -177.55 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 23' ' ' LEU . . . . . 0.481 ' H ' ' HG3' ' A' ' 22' ' ' ARG . 85.2 mt -55.52 -19.95 11.45 Favored 'General case' 0 C--O 1.219 -0.508 0 C-N-CA 123.866 0.867 . . . . 0.0 110.722 175.825 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 24' ' ' TRP . . . . . 0.508 ' HA ' ' HA ' ' A' ' 8' ' ' THR . 18.0 p90 -145.13 162.33 37.3 Favored 'General case' 0 N--CA 1.419 -2.004 0 N-CA-C 105.244 -2.132 . . . . 0.0 105.244 170.079 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 93.9 m -81.83 112.93 19.42 Favored 'General case' 0 C--N 1.303 -1.419 0 CA-C-N 119.058 0.845 . . . . 0.0 110.659 177.923 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 86.7 tttt -107.22 133.83 51.22 Favored 'General case' 0 C--N 1.294 -1.836 0 CA-C-N 115.059 -0.973 . . . . 0.0 109.342 -174.759 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 61.0 pttt . . . . . 0 C--N 1.301 -1.509 0 CA-C-O 120.928 0.394 . . . . 0.0 110.649 179.954 . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 3' ' ' GLN . . . . . 0.404 ' HB2' ' HA ' ' A' ' 15' ' ' CYS . 15.1 mm100 . . . . . 0 CA--C 1.502 -0.871 0 N-CA-C 108.316 -0.994 . . . . 0.0 108.316 . . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 98.5 mttt -91.11 163.16 14.38 Favored 'General case' 0 C--N 1.299 -1.598 0 CA-C-O 121.001 0.429 . . . . 0.0 110.102 178.094 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 5' ' ' TRP . . . . . . . . . . . . . 42.7 p90 -62.59 -26.03 68.39 Favored 'General case' 0 C--N 1.306 -1.297 0 C-N-CA 124.628 1.171 . . . . 0.0 110.648 178.264 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 6' ' ' MET . . . . . 0.532 ' HG3' ' CD1' ' A' ' 7' ' ' TRP . 26.2 ptm -78.27 -10.15 59.54 Favored 'General case' 0 C--N 1.321 -0.662 0 CA-C-N 115.272 -0.876 . . . . 0.0 110.459 179.812 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 7' ' ' TRP . . . . . 0.532 ' CD1' ' HG3' ' A' ' 6' ' ' MET . 40.7 m0 -108.6 -172.18 2.0 Favored 'General case' 0 N--CA 1.437 -1.1 0 N-CA-C 108.425 -0.954 . . . . 0.0 108.425 179.869 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 8' ' ' THR . . . . . 0.64 ' HB ' ' O ' ' A' ' 23' ' ' LEU . 70.7 p -124.68 172.79 9.0 Favored 'General case' 0 C--N 1.291 -1.943 0 N-CA-C 108.882 -0.784 . . . . 0.0 108.882 -176.748 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 9' ' ' CYS . . . . . 0.659 ' SG ' ' HB2' ' A' ' 15' ' ' CYS . 29.9 p -140.64 179.31 6.76 Favored 'General case' 0 C--O 1.251 1.134 0 C-N-CA 118.381 -1.328 . . . . 0.0 111.441 175.697 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 10' ' ' ASP . . . . . 0.464 ' CG ' ' H ' ' A' ' 11' ' ' SER . 29.8 t70 -159.46 -159.96 0.79 Allowed 'General case' 0 C--N 1.313 -0.998 0 N-CA-C 106.899 -1.519 . . . . 0.0 106.899 -176.631 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 11' ' ' SER . . . . . 0.464 ' H ' ' CG ' ' A' ' 10' ' ' ASP . 14.7 m -80.03 -30.06 39.42 Favored 'General case' 0 N--CA 1.425 -1.699 0 N-CA-C 109.047 -0.723 . . . . 0.0 109.047 177.459 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 11.8 pt-20 -79.17 -46.29 18.22 Favored 'General case' 0 CA--C 1.536 0.409 0 CA-C-N 115.978 -0.556 . . . . 0.0 110.766 178.694 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 13' ' ' ARG . . . . . 0.539 ' O ' ' HB2' ' A' ' 9' ' ' CYS . 5.5 mmp_? -99.1 111.82 24.11 Favored 'General case' 0 CA--C 1.486 -1.519 0 N-CA-C 109.357 -0.608 . . . . 0.0 109.357 174.056 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 34.2 mmtp -89.5 137.13 32.59 Favored 'General case' 0 C--N 1.278 -2.518 0 CA-C-O 121.198 0.523 . . . . 0.0 109.961 178.665 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 15' ' ' CYS . . . . . 0.659 ' HB2' ' SG ' ' A' ' 9' ' ' CYS . 8.9 t -83.46 154.6 23.84 Favored 'General case' 0 C--N 1.288 -2.102 0 CA-C-N 115.201 -0.909 . . . . 0.0 108.595 -179.368 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 55.8 m -84.02 157.98 21.64 Favored 'General case' 0 C--N 1.289 -2.047 0 CA-C-O 121.123 0.487 . . . . 0.0 111.487 -175.227 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 53.9 mtmt -63.77 142.43 58.41 Favored 'General case' 0 N--CA 1.438 -1.029 0 CA-C-N 115.27 -0.877 . . . . 0.0 109.903 179.652 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 112.16 -21.92 19.14 Favored Glycine 0 C--N 1.3 -1.454 0 N-CA-C 108.246 -1.941 . . . . 0.0 108.246 -173.419 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 19' ' ' MET . . . . . 0.425 ' HG3' ' HA ' ' A' ' 27' ' ' LYS . 4.4 mpp? -123.67 168.17 13.02 Favored 'General case' 0 N--CA 1.425 -1.676 0 N-CA-C 108.644 -0.873 . . . . 0.0 108.644 175.213 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 45.1 t -106.25 131.79 55.03 Favored 'Isoleucine or valine' 0 C--N 1.287 -2.13 0 N-CA-C 105.87 -1.9 . . . . 0.0 105.87 176.341 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 10.0 t -79.47 135.15 36.58 Favored 'General case' 0 N--CA 1.426 -1.641 0 N-CA-C 108.174 -1.047 . . . . 0.0 108.174 179.922 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 22' ' ' ARG . . . . . 0.447 ' HG3' ' H ' ' A' ' 23' ' ' LEU . 25.2 tpt180 -166.81 -172.17 2.03 Favored 'General case' 0 N--CA 1.417 -2.081 0 N-CA-C 105.5 -2.037 . . . . 0.0 105.5 -174.995 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 23' ' ' LEU . . . . . 0.64 ' O ' ' HB ' ' A' ' 8' ' ' THR . 65.7 tp -48.55 -30.31 5.15 Favored 'General case' 0 C--O 1.215 -0.758 0 C-N-CA 123.521 0.728 . . . . 0.0 110.399 174.837 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 24' ' ' TRP . . . . . 0.471 ' HA ' ' HA ' ' A' ' 8' ' ' THR . 29.2 p90 -135.9 161.41 35.7 Favored 'General case' 0 N--CA 1.434 -1.267 0 N-CA-C 106.684 -1.599 . . . . 0.0 106.684 173.389 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 53.6 m -80.5 112.77 18.16 Favored 'General case' 0 C--N 1.312 -1.033 0 C-N-CA 119.647 -0.821 . . . . 0.0 110.411 176.65 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 40.5 ttmt -95.68 122.95 38.98 Favored 'General case' 0 C--N 1.302 -1.487 0 CA-C-N 115.508 -0.769 . . . . 0.0 109.591 -177.892 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 27' ' ' LYS . . . . . 0.425 ' HA ' ' HG3' ' A' ' 19' ' ' MET . 27.9 mtpp . . . . . 0 CA--C 1.501 -0.938 0 N-CA-C 109.659 -0.497 . . . . 0.0 109.659 177.521 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 3' ' ' GLN . . . . . 0.409 ' HB2' ' HA ' ' A' ' 15' ' ' CYS . 14.9 mm100 . . . . . 0 N--CA 1.427 -1.6 0 CA-C-O 120.922 0.392 . . . . 0.0 110.326 . . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 94.9 mttt -87.67 167.1 14.17 Favored 'General case' 0 C--N 1.298 -1.663 0 CA-C-N 114.902 -1.045 . . . . 0.0 109.609 -177.788 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 5' ' ' TRP . . . . . . . . . . . . . 4.3 p-90 -57.11 -31.44 65.29 Favored 'General case' 0 C--N 1.318 -0.78 0 C-N-CA 123.925 0.89 . . . . 0.0 113.29 -175.363 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 6' ' ' MET . . . . . . . . . . . . . 61.9 ttp -76.55 -25.83 54.47 Favored 'General case' 0 C--N 1.329 -0.316 0 C-N-CA 119.872 -0.731 . . . . 0.0 110.311 -179.897 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 7' ' ' TRP . . . . . . . . . . . . . 49.6 m0 -87.83 -177.84 5.9 Favored 'General case' 0 C--N 1.291 -1.955 0 CA-C-N 115.396 -0.82 . . . . 0.0 109.685 -177.326 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 8' ' ' THR . . . . . 0.571 ' HB ' ' O ' ' A' ' 23' ' ' LEU . 75.4 p -118.06 160.03 22.21 Favored 'General case' 0 C--N 1.29 -1.981 0 N-CA-C 108.378 -0.971 . . . . 0.0 108.378 -179.876 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 9' ' ' CYS . . . . . 0.451 ' HB2' ' O ' ' A' ' 13' ' ' ARG . 26.6 p -123.46 172.08 8.99 Favored 'General case' 0 N--CA 1.437 -1.091 0 C-N-CA 117.857 -1.537 . . . . 0.0 110.122 175.504 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 10' ' ' ASP . . . . . 0.403 ' CG ' ' H ' ' A' ' 11' ' ' SER . 15.3 t70 -154.17 -163.93 1.73 Allowed 'General case' 0 C--N 1.305 -1.355 0 N-CA-C 106.657 -1.609 . . . . 0.0 106.657 -174.967 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 11' ' ' SER . . . . . 0.403 ' H ' ' CG ' ' A' ' 10' ' ' ASP . 33.1 t -74.96 -32.92 61.84 Favored 'General case' 0 C--N 1.297 -1.687 0 N-CA-C 109.073 -0.714 . . . . 0.0 109.073 179.913 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 41.4 mt-10 -88.24 -32.1 18.7 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-O 121.445 0.64 . . . . 0.0 110.299 179.568 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 13' ' ' ARG . . . . . 0.451 ' O ' ' HB2' ' A' ' 9' ' ' CYS . 59.6 mtm180 -98.88 111.45 23.84 Favored 'General case' 0 C--N 1.308 -1.202 0 CA-C-N 115.752 -0.658 . . . . 0.0 109.891 -177.644 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 55.4 pttt -92.36 131.28 37.67 Favored 'General case' 0 C--N 1.304 -1.397 0 CA-C-O 120.857 0.36 . . . . 0.0 110.677 -177.376 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 15' ' ' CYS . . . . . 0.43 ' HB2' ' SG ' ' A' ' 9' ' ' CYS . 9.1 t -81.97 153.02 26.46 Favored 'General case' 0 C--N 1.304 -1.406 0 CA-C-N 116.063 -0.517 . . . . 0.0 109.826 -176.38 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 16' ' ' CYS . . . . . 0.461 ' HB2' ' SD ' ' A' ' 19' ' ' MET . 82.8 m -62.93 145.31 55.55 Favored 'General case' 0 C--N 1.315 -0.901 0 CA-C-O 121.663 0.744 . . . . 0.0 112.134 -177.862 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 66.5 mttm -71.89 130.28 40.64 Favored 'General case' 0 C--N 1.304 -1.4 0 CA-C-N 115.239 -0.891 . . . . 0.0 109.015 177.557 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 107.14 -3.71 35.39 Favored Glycine 0 N--CA 1.439 -1.134 0 N-CA-C 109.409 -1.476 . . . . 0.0 109.409 -172.644 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 19' ' ' MET . . . . . 0.461 ' SD ' ' HB2' ' A' ' 16' ' ' CYS . 65.3 mtt -121.59 170.58 9.55 Favored 'General case' 0 C--N 1.312 -1.058 0 N-CA-C 108.606 -0.887 . . . . 0.0 108.606 177.842 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 98.6 t -107.13 126.82 63.21 Favored 'Isoleucine or valine' 0 C--N 1.3 -1.552 0 N-CA-C 108.302 -0.999 . . . . 0.0 108.302 177.836 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 18.4 t -90.97 130.26 36.91 Favored 'General case' 0 N--CA 1.434 -1.264 0 N-CA-C 109.0 -0.741 . . . . 0.0 109.0 -179.541 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 22' ' ' ARG . . . . . 0.49 ' HG2' ' H ' ' A' ' 23' ' ' LEU . 30.2 ttm180 -166.37 -170.74 1.74 Allowed 'General case' 0 C--O 1.28 2.694 0 N-CA-C 106.557 -1.646 . . . . 0.0 106.557 -177.209 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 23' ' ' LEU . . . . . 0.571 ' O ' ' HB ' ' A' ' 8' ' ' THR . 62.5 tp -42.09 -43.14 3.15 Favored 'General case' 0 C--N 1.358 0.966 0 C-N-CA 123.869 0.868 . . . . 0.0 109.937 175.602 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 24' ' ' TRP . . . . . 0.474 ' HA ' ' HA ' ' A' ' 8' ' ' THR . 26.3 p90 -131.68 151.44 51.63 Favored 'General case' 0 N--CA 1.428 -1.56 0 N-CA-C 107.153 -1.425 . . . . 0.0 107.153 170.982 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 57.9 m -76.2 157.89 32.21 Favored 'General case' 0 C--N 1.318 -0.77 0 CA-C-O 121.153 0.501 . . . . 0.0 111.832 -179.177 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 63.8 tttm -150.58 156.89 42.26 Favored 'General case' 0 C--O 1.198 -1.643 0 N-CA-C 106.557 -1.646 . . . . 0.0 106.557 -177.494 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 23.9 tptm . . . . . 0 N--CA 1.413 -2.292 0 CA-C-N 119.34 0.973 . . . . 0.0 109.428 178.112 . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 15.3 mm100 . . . . . 0 N--CA 1.437 -1.103 0 N-CA-C 109.645 -0.502 . . . . 0.0 109.645 . . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 47.5 mmtm -94.54 157.43 15.99 Favored 'General case' 0 C--N 1.295 -1.804 0 N-CA-C 107.726 -1.213 . . . . 0.0 107.726 173.883 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 5' ' ' TRP . . . . . . . . . . . . . 12.9 p-90 -61.34 -21.82 64.35 Favored 'General case' 0 C--N 1.307 -1.255 0 CA-C-O 121.413 0.625 . . . . 0.0 110.925 -179.621 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 6' ' ' MET . . . . . . . . . . . . . 26.6 ptt? -84.92 -6.95 59.34 Favored 'General case' 0 N--CA 1.437 -1.099 0 CA-C-N 115.557 -0.747 . . . . 0.0 111.235 -178.755 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 7' ' ' TRP . . . . . . . . . . . . . 54.6 m0 -100.3 -176.15 3.14 Favored 'General case' 0 C--O 1.244 0.796 0 CA-C-O 120.854 0.359 . . . . 0.0 110.142 -178.984 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 8' ' ' THR . . . . . 0.557 ' HB ' ' O ' ' A' ' 23' ' ' LEU . 71.8 p -129.97 178.65 6.38 Favored 'General case' 0 C--N 1.303 -1.434 0 N-CA-C 108.294 -1.002 . . . . 0.0 108.294 -176.576 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 9' ' ' CYS . . . . . 0.592 ' HB2' ' O ' ' A' ' 13' ' ' ARG . 23.3 p -134.9 170.72 15.44 Favored 'General case' 0 N--CA 1.445 -0.695 0 C-N-CA 117.947 -1.501 . . . . 0.0 110.909 173.996 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 14.7 t70 -158.78 -137.74 0.05 Allowed 'General case' 0 C--N 1.315 -0.908 0 N-CA-C 106.818 -1.549 . . . . 0.0 106.818 179.899 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 13.0 p -80.14 -45.07 18.8 Favored 'General case' 0 C--N 1.313 -0.991 0 CA-C-N 118.734 0.697 . . . . 0.0 112.454 -178.9 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 26.9 mm-40 -77.2 -51.16 11.43 Favored 'General case' 0 C--N 1.323 -0.56 0 CA-C-O 121.337 0.589 . . . . 0.0 110.302 179.963 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 13' ' ' ARG . . . . . 0.603 ' HA ' ' NE ' ' A' ' 13' ' ' ARG . 2.1 mmp_? -90.7 118.52 30.2 Favored 'General case' 0 C--N 1.298 -1.666 0 CA-C-N 115.79 -0.641 . . . . 0.0 110.788 -179.49 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 99.0 mttt -106.4 141.34 37.87 Favored 'General case' 0 C--N 1.297 -1.715 0 N-CA-C 108.996 -0.742 . . . . 0.0 108.996 173.808 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 15' ' ' CYS . . . . . 0.523 ' SG ' ' HB3' ' A' ' 9' ' ' CYS . 81.7 m -73.78 147.49 43.38 Favored 'General case' 0 C--N 1.32 -0.703 0 N-CA-C 108.841 -0.8 . . . . 0.0 108.841 176.572 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 56.5 m -74.54 157.77 34.92 Favored 'General case' 0 C--N 1.299 -1.604 0 CA-C-N 116.635 -0.257 . . . . 0.0 110.915 -178.053 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 40.1 ttmt -59.65 136.89 58.13 Favored 'General case' 0 C--N 1.323 -0.558 0 N-CA-C 108.93 -0.767 . . . . 0.0 108.93 178.094 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 107.2 -15.83 39.12 Favored Glycine 0 C--N 1.304 -1.234 0 N-CA-C 108.791 -1.723 . . . . 0.0 108.791 -173.015 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 19' ' ' MET . . . . . . . . . . . . . 73.0 mtm -125.2 165.78 17.66 Favored 'General case' 0 N--CA 1.429 -1.487 0 N-CA-C 107.587 -1.264 . . . . 0.0 107.587 174.093 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 11.2 t -106.17 135.73 43.36 Favored 'Isoleucine or valine' 0 C--N 1.288 -2.077 0 N-CA-C 106.679 -1.6 . . . . 0.0 106.679 178.951 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 38.6 t -87.49 104.43 16.46 Favored 'General case' 0 N--CA 1.423 -1.793 0 N-CA-C 107.835 -1.172 . . . . 0.0 107.835 178.819 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 96.3 mtt180 -135.71 -163.3 1.37 Allowed 'General case' 0 C--O 1.272 2.284 0 CA-C-N 114.896 -1.047 . . . . 0.0 109.194 -179.204 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 23' ' ' LEU . . . . . 0.557 ' O ' ' HB ' ' A' ' 8' ' ' THR . 54.7 tp -53.33 -27.15 21.8 Favored 'General case' 0 C--O 1.21 -1.01 0 CA-C-N 114.724 -1.126 . . . . 0.0 109.561 174.688 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 24' ' ' TRP . . . . . 0.46 ' HA ' ' HA ' ' A' ' 8' ' ' THR . 17.2 p90 -139.07 165.16 27.87 Favored 'General case' 0 N--CA 1.428 -1.567 0 N-CA-C 106.692 -1.596 . . . . 0.0 106.692 173.953 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 85.6 m -82.99 112.31 19.64 Favored 'General case' 0 C--N 1.318 -0.77 0 C-N-CA 119.527 -0.869 . . . . 0.0 108.882 175.601 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 59.9 tttm -96.4 119.99 35.89 Favored 'General case' 0 C--N 1.301 -1.511 0 N-CA-C 109.237 -0.653 . . . . 0.0 109.237 -177.962 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 22.7 pttp . . . . . 0 C--N 1.302 -1.482 0 CA-C-O 121.407 0.623 . . . . 0.0 110.714 179.751 . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 15.0 mm100 . . . . . 0 N--CA 1.44 -0.964 0 N-CA-C 108.082 -1.081 . . . . 0.0 108.082 . . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 67.2 mttm -94.72 164.39 12.97 Favored 'General case' 0 C--N 1.301 -1.514 0 N-CA-C 109.629 -0.508 . . . . 0.0 109.629 178.538 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 5' ' ' TRP . . . . . . . . . . . . . 32.7 p90 -69.26 -14.67 63.08 Favored 'General case' 0 N--CA 1.488 1.469 0 CA-C-O 122.499 1.143 . . . . 0.0 110.639 -179.826 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 6' ' ' MET . . . . . . . . . . . . . 22.1 ptp -92.82 1.34 57.34 Favored 'General case' 0 C--N 1.301 -1.542 0 CA-C-N 114.401 -1.272 . . . . 0.0 109.305 179.945 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 7' ' ' TRP . . . . . . . . . . . . . 52.4 m0 -116.57 -174.29 2.54 Favored 'General case' 0 C--O 1.246 0.875 0 N-CA-C 108.118 -1.068 . . . . 0.0 108.118 178.692 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 8' ' ' THR . . . . . 0.48 ' HA ' ' HA ' ' A' ' 24' ' ' TRP . 46.2 p -131.13 172.62 11.9 Favored 'General case' 0 C--N 1.298 -1.659 0 CA-C-O 118.963 -0.541 . . . . 0.0 109.562 -175.165 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 9' ' ' CYS . . . . . 0.584 ' HB2' ' O ' ' A' ' 13' ' ' ARG . 19.0 p -127.69 -179.77 5.11 Favored 'General case' 0 C--O 1.239 0.523 0 C-N-CA 116.495 -2.082 . . . . 0.0 111.725 177.331 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 6.5 m-20 -142.78 -161.64 1.28 Allowed 'General case' 0 C--N 1.315 -0.927 0 N-CA-C 106.532 -1.655 . . . . 0.0 106.532 -177.497 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 16.0 m -82.93 -32.45 27.18 Favored 'General case' 0 C--N 1.305 -1.36 0 N-CA-C 108.676 -0.861 . . . . 0.0 108.676 173.537 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 10.3 pt-20 -79.02 -44.15 22.83 Favored 'General case' 0 CA--C 1.535 0.368 0 CA-C-N 115.769 -0.651 . . . . 0.0 111.205 178.852 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 13' ' ' ARG . . . . . 0.584 ' O ' ' HB2' ' A' ' 9' ' ' CYS . 37.3 mtm180 -99.6 116.86 32.71 Favored 'General case' 0 CA--C 1.496 -1.134 0 N-CA-C 109.119 -0.697 . . . . 0.0 109.119 177.702 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 14.9 ptmm? -104.92 151.46 23.85 Favored 'General case' 0 C--N 1.293 -1.887 0 N-CA-C 108.825 -0.806 . . . . 0.0 108.825 177.289 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 15' ' ' CYS . . . . . 0.616 ' SG ' ' HA ' ' A' ' 21' ' ' CYS . 59.3 m -68.82 153.62 43.47 Favored 'General case' 0 C--N 1.307 -1.259 0 N-CA-C 108.251 -1.018 . . . . 0.0 108.251 175.241 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 81.0 m -75.86 161.61 28.84 Favored 'General case' 0 C--N 1.299 -1.602 0 N-CA-C 111.673 0.249 . . . . 0.0 111.673 -176.217 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 25.0 ttmm -58.83 121.49 11.26 Favored 'General case' 0 C--O 1.239 0.546 0 N-CA-C 109.738 -0.467 . . . . 0.0 109.738 -178.876 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 111.43 8.07 23.58 Favored Glycine 0 N--CA 1.439 -1.157 0 N-CA-C 110.03 -1.228 . . . . 0.0 110.03 -174.134 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 19' ' ' MET . . . . . . . . . . . . . 64.0 mtt -139.77 158.14 44.59 Favored 'General case' 0 C--N 1.315 -0.913 0 N-CA-C 107.79 -1.189 . . . . 0.0 107.79 176.856 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 8.2 p -106.5 134.65 47.49 Favored 'Isoleucine or valine' 0 C--N 1.291 -1.948 0 N-CA-C 108.202 -1.036 . . . . 0.0 108.202 175.339 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 21' ' ' CYS . . . . . 0.616 ' HA ' ' SG ' ' A' ' 15' ' ' CYS . 43.8 t -88.14 107.35 18.72 Favored 'General case' 0 C--N 1.309 -1.163 0 CA-C-N 116.005 -0.543 . . . . 0.0 110.404 -175.081 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 22' ' ' ARG . . . . . 0.434 ' HB3' ' H ' ' A' ' 23' ' ' LEU . 99.1 mtt180 -143.81 -157.37 0.77 Allowed 'General case' 0 C--O 1.288 3.083 0 CA-C-N 115.122 -0.945 . . . . 0.0 110.258 179.309 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 23' ' ' LEU . . . . . 0.479 ' O ' ' HB ' ' A' ' 8' ' ' THR . 61.2 tp -45.76 -42.12 11.6 Favored 'General case' 0 CA--C 1.508 -0.653 0 CA-C-N 114.873 -1.058 . . . . 0.0 109.279 176.02 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 24' ' ' TRP . . . . . 0.48 ' HA ' ' HA ' ' A' ' 8' ' ' THR . 35.6 p90 -132.35 166.12 22.68 Favored 'General case' 0 N--CA 1.421 -1.885 0 N-CA-C 108.225 -1.028 . . . . 0.0 108.225 172.13 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 78.3 m -83.76 113.28 20.79 Favored 'General case' 0 C--N 1.307 -1.274 0 CA-C-O 121.274 0.559 . . . . 0.0 109.977 177.358 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 83.6 tttt -105.38 120.5 41.73 Favored 'General case' 0 N--CA 1.416 -2.134 0 N-CA-C 108.477 -0.935 . . . . 0.0 108.477 -177.801 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 23.5 pttm . . . . . 0 C--N 1.295 -1.787 0 N-CA-C 113.32 0.859 . . . . 0.0 113.32 -173.816 . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 3' ' ' GLN . . . . . 0.421 ' HB2' ' HA ' ' A' ' 15' ' ' CYS . 14.4 mm100 . . . . . 0 N--CA 1.433 -1.294 0 CA-C-O 121.029 0.443 . . . . 0.0 109.812 . . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 92.0 mttt -83.25 168.75 16.43 Favored 'General case' 0 C--N 1.295 -1.775 0 N-CA-C 109.045 -0.724 . . . . 0.0 109.045 -178.571 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 5' ' ' TRP . . . . . 0.406 ' CE3' ' HD2' ' A' ' 27' ' ' LYS . 28.2 p-90 -60.99 -23.45 65.39 Favored 'General case' 0 N--CA 1.484 1.243 0 C-N-CA 122.883 0.473 . . . . 0.0 111.845 -175.755 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 6' ' ' MET . . . . . . . . . . . . . 15.8 tpt -70.79 -28.51 64.71 Favored 'General case' 0 N--CA 1.432 -1.353 0 CA-C-O 122.115 0.96 . . . . 0.0 110.127 -179.392 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 7' ' ' TRP . . . . . . . . . . . . . 31.7 m0 -99.66 -168.2 1.57 Allowed 'General case' 0 C--N 1.305 -1.345 0 CA-C-N 114.91 -1.041 . . . . 0.0 111.182 -175.48 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 8' ' ' THR . . . . . 0.446 ' HA ' ' HA ' ' A' ' 24' ' ' TRP . 70.4 p -124.8 166.21 16.62 Favored 'General case' 0 C--N 1.307 -1.25 0 N-CA-C 107.279 -1.378 . . . . 0.0 107.279 -179.256 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 9' ' ' CYS . . . . . 0.559 ' SG ' ' HB2' ' A' ' 15' ' ' CYS . 26.0 p -135.56 177.11 8.08 Favored 'General case' 0 CA--C 1.502 -0.88 0 C-N-CA 117.483 -1.687 . . . . 0.0 111.491 179.541 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 24.7 m-20 -142.72 -170.72 3.28 Favored 'General case' 0 C--N 1.315 -0.892 0 N-CA-C 108.212 -1.033 . . . . 0.0 108.212 -176.237 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 36.0 p -77.4 -24.76 50.44 Favored 'General case' 0 C--N 1.312 -1.04 0 CA-C-O 122.241 1.02 . . . . 0.0 108.746 174.253 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 8.3 mm-40 -89.75 -47.09 8.14 Favored 'General case' 0 N--CA 1.437 -1.111 0 CA-C-N 114.544 -1.207 . . . . 0.0 109.199 -177.755 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 23.9 mtp180 -90.0 111.61 22.76 Favored 'General case' 0 N--CA 1.427 -1.617 0 CA-C-N 115.826 -0.625 . . . . 0.0 109.495 178.313 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 19.1 ptpt -80.14 140.23 36.48 Favored 'General case' 0 C--N 1.314 -0.96 0 CA-C-O 121.076 0.465 . . . . 0.0 110.858 -178.235 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 15' ' ' CYS . . . . . 0.559 ' HB2' ' SG ' ' A' ' 9' ' ' CYS . 26.0 t -87.58 160.2 18.28 Favored 'General case' 0 C--N 1.288 -2.081 0 N-CA-C 108.341 -0.985 . . . . 0.0 108.341 177.501 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 78.4 m -69.61 138.56 53.21 Favored 'General case' 0 C--N 1.306 -1.324 0 CA-C-O 121.449 0.642 . . . . 0.0 109.812 177.807 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 56.7 mtpt -77.97 134.24 37.88 Favored 'General case' 0 N--CA 1.42 -1.971 0 CA-C-N 115.653 -0.703 . . . . 0.0 109.508 -177.841 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 113.75 -15.14 21.85 Favored Glycine 0 N--CA 1.43 -1.724 0 N-CA-C 108.117 -1.993 . . . . 0.0 108.117 -167.608 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 19' ' ' MET . . . . . . . . . . . . . 2.2 mpt? -110.76 171.7 7.31 Favored 'General case' 0 N--CA 1.444 -0.735 0 N-CA-C 107.682 -1.229 . . . . 0.0 107.682 170.512 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 20' ' ' VAL . . . . . 0.438 ' HB ' ' HB3' ' A' ' 26' ' ' LYS . 22.8 t -106.1 123.58 60.84 Favored 'Isoleucine or valine' 0 C--N 1.302 -1.496 0 N-CA-C 107.183 -1.414 . . . . 0.0 107.183 176.877 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 29.4 t -84.02 120.68 26.42 Favored 'General case' 0 C--N 1.31 -1.146 0 N-CA-C 109.807 -0.442 . . . . 0.0 109.807 -179.234 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 22' ' ' ARG . . . . . 0.566 ' HA ' ' NE ' ' A' ' 22' ' ' ARG . 3.0 mmp_? -151.77 -158.06 0.87 Allowed 'General case' 0 C--O 1.271 2.229 0 C-N-CA 124.87 1.268 . . . . 0.0 108.711 178.396 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 23' ' ' LEU . . . . . 0.407 ' H ' ' HB3' ' A' ' 22' ' ' ARG . 57.2 tp -57.24 -19.41 21.24 Favored 'General case' 0 CA--C 1.544 0.716 0 CA-C-N 114.686 -1.143 . . . . 0.0 109.566 176.607 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 24' ' ' TRP . . . . . 0.446 ' HA ' ' HA ' ' A' ' 8' ' ' THR . 8.3 p90 -143.15 161.21 38.83 Favored 'General case' 0 N--CA 1.421 -1.92 0 N-CA-C 105.852 -1.907 . . . . 0.0 105.852 171.94 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 33.2 m -86.94 117.93 25.99 Favored 'General case' 0 C--N 1.301 -1.514 0 C-N-CA 120.076 -0.65 . . . . 0.0 109.344 174.596 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 26' ' ' LYS . . . . . 0.438 ' HB3' ' HB ' ' A' ' 20' ' ' VAL . 84.1 tttt -91.75 121.88 33.78 Favored 'General case' 0 C--N 1.296 -1.76 0 CA-C-N 115.914 -0.584 . . . . 0.0 109.518 -176.994 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 27' ' ' LYS . . . . . 0.406 ' HD2' ' CE3' ' A' ' 5' ' ' TRP . 15.0 ptmm? . . . . . 0 C--N 1.315 -0.927 0 N-CA-C 108.752 -0.833 . . . . 0.0 108.752 175.094 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 3' ' ' GLN . . . . . 0.487 ' HB2' ' HA ' ' A' ' 15' ' ' CYS . 13.5 mm100 . . . . . 0 N--CA 1.43 -1.459 0 N-CA-C 109.751 -0.463 . . . . 0.0 109.751 . . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 62.8 mttp -72.64 176.3 5.62 Favored 'General case' 0 C--N 1.323 -0.55 0 CA-C-O 121.198 0.523 . . . . 0.0 111.41 179.363 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 5' ' ' TRP . . . . . . . . . . . . . 46.9 p90 -64.55 -24.22 67.53 Favored 'General case' 0 C--N 1.318 -0.78 0 C-N-CA 124.371 1.068 . . . . 0.0 110.758 -178.992 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 6' ' ' MET . . . . . . . . . . . . . 48.4 ttm -86.67 -15.39 39.78 Favored 'General case' 0 C--N 1.31 -1.112 0 CA-C-N 114.819 -1.082 . . . . 0.0 110.338 -178.564 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 7' ' ' TRP . . . . . . . . . . . . . 49.7 m0 -101.44 -176.46 3.15 Favored 'General case' 0 C--N 1.298 -1.663 0 CA-C-N 115.654 -0.703 . . . . 0.0 110.928 -179.516 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 8' ' ' THR . . . . . 0.548 ' HB ' ' O ' ' A' ' 23' ' ' LEU . 70.4 p -128.1 163.22 25.08 Favored 'General case' 0 C--N 1.302 -1.49 0 N-CA-C 108.942 -0.762 . . . . 0.0 108.942 -175.656 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 9' ' ' CYS . . . . . 0.548 ' HB2' ' O ' ' A' ' 13' ' ' ARG . 31.9 p -130.59 175.1 9.28 Favored 'General case' 0 C--O 1.244 0.77 0 C-N-CA 118.314 -1.354 . . . . 0.0 110.881 178.888 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 18.3 m-20 -146.8 -158.22 0.89 Allowed 'General case' 0 CA--C 1.504 -0.79 0 N-CA-C 107.244 -1.391 . . . . 0.0 107.244 -176.618 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 20.6 m -65.04 -42.37 94.35 Favored 'General case' 0 C--N 1.311 -1.076 0 CA-C-O 120.767 0.317 . . . . 0.0 111.17 178.687 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 39.3 mm-40 -89.46 -54.32 4.14 Favored 'General case' 0 C--N 1.322 -0.611 0 C-N-CA 120.181 -0.608 . . . . 0.0 112.11 -179.528 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 13' ' ' ARG . . . . . 0.548 ' O ' ' HB2' ' A' ' 9' ' ' CYS . 83.9 mtm180 -62.23 122.63 16.1 Favored 'General case' 0 N--CA 1.474 0.741 0 N-CA-C 111.613 0.227 . . . . 0.0 111.613 -179.362 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 22.4 ptmt -104.84 144.94 31.08 Favored 'General case' 0 C--N 1.319 -0.726 0 CA-C-N 116.036 -0.529 . . . . 0.0 110.722 -178.816 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 15' ' ' CYS . . . . . 0.487 ' HA ' ' HB2' ' A' ' 3' ' ' GLN . 57.5 m -79.7 164.86 23.4 Favored 'General case' 0 C--N 1.308 -1.206 0 N-CA-C 109.666 -0.494 . . . . 0.0 109.666 178.32 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 60.7 m -66.25 153.71 41.82 Favored 'General case' 0 C--N 1.295 -1.797 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.088 177.1 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 58.1 tptt -56.25 119.33 5.79 Favored 'General case' 0 C--O 1.24 0.578 0 C-N-CA 123.111 0.565 . . . . 0.0 110.42 179.607 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 106.73 14.55 19.19 Favored Glycine 0 N--CA 1.436 -1.339 0 C-N-CA 120.564 -0.827 . . . . 0.0 111.298 -178.558 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 19' ' ' MET . . . . . . . . . . . . . 65.1 mtt -129.06 158.68 38.25 Favored 'General case' 0 C--N 1.311 -1.081 0 N-CA-C 109.087 -0.708 . . . . 0.0 109.087 176.728 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 33.2 m -106.44 143.4 17.36 Favored 'Isoleucine or valine' 0 C--N 1.305 -1.347 0 N-CA-C 108.441 -0.948 . . . . 0.0 108.441 176.963 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 13.8 t -89.81 138.58 31.36 Favored 'General case' 0 C--N 1.293 -1.878 0 N-CA-C 109.395 -0.594 . . . . 0.0 109.395 -177.342 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 22' ' ' ARG . . . . . 0.46 ' HG2' ' H ' ' A' ' 23' ' ' LEU . 70.6 ttt180 -171.25 -171.4 0.95 Allowed 'General case' 0 C--O 1.27 2.155 0 N-CA-C 105.875 -1.898 . . . . 0.0 105.875 -179.063 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 23' ' ' LEU . . . . . 0.548 ' O ' ' HB ' ' A' ' 8' ' ' THR . 92.4 mt -48.39 -25.69 1.73 Allowed 'General case' 0 C--O 1.213 -0.822 0 C-N-CA 123.537 0.735 . . . . 0.0 111.632 175.119 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 24' ' ' TRP . . . . . 0.487 ' HA ' ' HA ' ' A' ' 8' ' ' THR . 18.1 p90 -138.92 159.59 41.76 Favored 'General case' 0 N--CA 1.426 -1.653 0 N-CA-C 106.982 -1.488 . . . . 0.0 106.982 172.872 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 88.7 m -87.51 125.13 34.14 Favored 'General case' 0 C--N 1.315 -0.898 0 CA-C-N 118.331 0.514 . . . . 0.0 110.215 177.966 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 40.2 ttpt -118.26 141.28 48.68 Favored 'General case' 0 C--N 1.302 -1.461 0 N-CA-C 109.103 -0.703 . . . . 0.0 109.103 -177.251 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 95.3 mttt . . . . . 0 C--N 1.311 -1.081 0 CA-C-O 121.236 0.541 . . . . 0.0 110.587 -178.993 . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 3' ' ' GLN . . . . . 0.509 ' OE1' ' HA ' ' A' ' 9' ' ' CYS . 5.4 mt-30 . . . . . 0 N--CA 1.433 -1.3 0 CA-C-O 121.633 0.73 . . . . 0.0 112.25 . . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 92.3 mttt -78.66 163.91 25.05 Favored 'General case' 0 C--N 1.314 -0.963 0 CA-C-N 113.807 -1.542 . . . . 0.0 110.438 -176.266 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 5' ' ' TRP . . . . . . . . . . . . . 13.6 p-90 -58.25 -27.87 64.38 Favored 'General case' 0 N--CA 1.482 1.163 0 C-N-CA 123.459 0.704 . . . . 0.0 111.728 -176.177 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 6' ' ' MET . . . . . . . . . . . . . 49.6 ttm -79.54 -13.77 59.31 Favored 'General case' 0 C--N 1.313 -1.01 0 CA-C-O 121.506 0.669 . . . . 0.0 111.099 -177.23 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 7' ' ' TRP . . . . . . . . . . . . . 41.9 m0 -96.89 -174.08 2.88 Favored 'General case' 0 C--N 1.294 -1.811 0 CA-C-N 115.725 -0.67 . . . . 0.0 109.862 -177.601 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 8' ' ' THR . . . . . 0.486 ' HA ' ' HA ' ' A' ' 24' ' ' TRP . 34.0 p -131.0 156.23 45.47 Favored 'General case' 0 C--N 1.295 -1.784 0 N-CA-C 106.829 -1.545 . . . . 0.0 106.829 179.53 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 9' ' ' CYS . . . . . 0.574 ' HB2' ' O ' ' A' ' 13' ' ' ARG . 31.9 p -120.47 170.26 9.55 Favored 'General case' 0 CA--C 1.504 -0.795 0 C-N-CA 116.98 -1.888 . . . . 0.0 112.184 -179.011 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 4.3 p30 -132.82 -160.0 1.01 Allowed 'General case' 0 C--N 1.309 -1.189 0 N-CA-C 107.374 -1.343 . . . . 0.0 107.374 179.563 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 50.3 p -74.76 -40.95 60.91 Favored 'General case' 0 C--N 1.308 -1.215 0 CA-C-N 118.385 0.539 . . . . 0.0 111.267 -178.622 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 12.7 mm-40 -82.49 -44.7 15.64 Favored 'General case' 0 N--CA 1.434 -1.271 0 CA-C-N 115.634 -0.712 . . . . 0.0 109.133 -173.497 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 13' ' ' ARG . . . . . 0.574 ' O ' ' HB2' ' A' ' 9' ' ' CYS . 5.2 mmp_? -98.61 115.89 29.64 Favored 'General case' 0 CA--C 1.492 -1.275 0 CA-C-N 115.664 -0.698 . . . . 0.0 110.135 177.052 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 14' ' ' LYS . . . . . 0.426 ' HA ' ' SG ' ' A' ' 21' ' ' CYS . 57.7 mttp -105.85 157.16 17.67 Favored 'General case' 0 C--N 1.293 -1.872 0 O-C-N 123.66 0.6 . . . . 0.0 110.839 -179.73 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 15' ' ' CYS . . . . . 0.457 ' HA ' ' HB2' ' A' ' 3' ' ' GLN . 60.1 m -76.6 159.92 29.87 Favored 'General case' 0 C--O 1.248 0.996 0 CA-C-N 116.597 -0.274 . . . . 0.0 110.294 177.906 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 16' ' ' CYS . . . . . 0.413 ' O ' ' HB2' ' A' ' 19' ' ' MET . 85.8 m -65.14 165.86 10.6 Favored 'General case' 0 C--N 1.305 -1.352 0 N-CA-C 113.488 0.922 . . . . 0.0 113.488 -179.287 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 39.7 ttmt -64.92 141.1 58.89 Favored 'General case' 0 C--N 1.32 -0.685 0 CA-C-N 115.056 -0.974 . . . . 0.0 109.382 177.219 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 92.52 -3.56 75.37 Favored Glycine 0 N--CA 1.435 -1.401 0 N-CA-C 109.372 -1.491 . . . . 0.0 109.372 -175.654 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 19' ' ' MET . . . . . 0.413 ' HB2' ' O ' ' A' ' 16' ' ' CYS . 60.4 mtt -129.26 154.9 46.37 Favored 'General case' 0 N--CA 1.428 -1.57 0 N-CA-C 108.273 -1.01 . . . . 0.0 108.273 178.704 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 7.4 p -106.58 132.01 54.91 Favored 'Isoleucine or valine' 0 C--N 1.281 -2.372 0 N-CA-C 108.232 -1.025 . . . . 0.0 108.232 178.558 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 21' ' ' CYS . . . . . 0.426 ' SG ' ' HA ' ' A' ' 14' ' ' LYS . 35.2 t -76.08 110.75 10.82 Favored 'General case' 0 N--CA 1.427 -1.617 0 N-CA-C 108.129 -1.063 . . . . 0.0 108.129 179.771 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 22' ' ' ARG . . . . . 0.408 ' HB3' ' H ' ' A' ' 23' ' ' LEU . 21.1 mmm180 -140.39 -161.86 1.26 Allowed 'General case' 0 C--O 1.287 3.03 0 CA-C-N 115.58 -0.737 . . . . 0.0 110.207 -178.776 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 23' ' ' LEU . . . . . 0.408 ' H ' ' HB3' ' A' ' 22' ' ' ARG . 55.0 tp -52.09 -39.63 60.06 Favored 'General case' 0 CA--C 1.512 -0.486 0 CA-C-N 113.641 -1.618 . . . . 0.0 107.792 177.876 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 24' ' ' TRP . . . . . 0.486 ' HA ' ' HA ' ' A' ' 8' ' ' THR . 36.1 p90 -130.55 165.49 22.62 Favored 'General case' 0 N--CA 1.417 -2.114 0 N-CA-C 107.403 -1.332 . . . . 0.0 107.403 171.311 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 99.4 m -76.59 115.48 16.38 Favored 'General case' 0 C--N 1.31 -1.112 0 CA-C-O 121.593 0.711 . . . . 0.0 109.654 176.348 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 52.8 tttm -114.92 129.51 56.72 Favored 'General case' 0 N--CA 1.415 -2.217 0 CA-C-N 115.255 -0.884 . . . . 0.0 109.567 -175.387 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 27' ' ' LYS . . . . . 0.426 ' HZ1' ' HB3' ' A' ' 27' ' ' LYS . 8.5 mtpm? . . . . . 0 N--CA 1.44 -0.943 0 N-CA-C 108.783 -0.821 . . . . 0.0 108.783 174.92 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 3' ' ' GLN . . . . . 0.443 ' HB2' ' HA ' ' A' ' 15' ' ' CYS . 15.3 mm100 . . . . . 0 N--CA 1.438 -1.049 0 N-CA-C 106.717 -1.586 . . . . 0.0 106.717 . . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 97.0 mttt -91.5 172.18 8.69 Favored 'General case' 0 C--N 1.3 -1.555 0 CA-C-O 120.804 0.335 . . . . 0.0 111.059 -178.229 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 5' ' ' TRP . . . . . . . . . . . . . 46.3 p90 -62.66 -26.4 68.62 Favored 'General case' 0 C--N 1.317 -0.829 0 C-N-CA 124.665 1.186 . . . . 0.0 110.553 178.868 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 6' ' ' MET . . . . . . . . . . . . . 25.5 ttt -77.58 -25.15 49.73 Favored 'General case' 0 C--N 1.312 -1.028 0 CA-C-N 114.871 -1.059 . . . . 0.0 109.909 179.689 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 7' ' ' TRP . . . . . 0.408 ' CE3' ' HA ' ' A' ' 3' ' ' GLN . 28.9 m0 -94.52 -176.87 4.05 Favored 'General case' 0 C--N 1.292 -1.909 0 CA-C-N 115.01 -0.996 . . . . 0.0 109.809 -174.048 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 8' ' ' THR . . . . . 0.494 ' HA ' ' HA ' ' A' ' 24' ' ' TRP . 47.3 p -127.6 172.3 10.87 Favored 'General case' 0 C--N 1.29 -1.984 0 N-CA-C 106.653 -1.61 . . . . 0.0 106.653 -179.768 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 9' ' ' CYS . . . . . 0.595 ' HB3' ' SG ' ' A' ' 15' ' ' CYS . 18.5 p -119.63 179.23 4.29 Favored 'General case' 0 N--CA 1.448 -0.546 0 C-N-CA 115.989 -2.284 . . . . 0.0 111.645 177.583 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 10' ' ' ASP . . . . . 0.449 ' CG ' ' H ' ' A' ' 11' ' ' SER . 31.7 t70 -143.01 -166.06 2.21 Favored 'General case' 0 C--N 1.3 -1.587 0 N-CA-C 105.733 -1.951 . . . . 0.0 105.733 -176.266 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 11' ' ' SER . . . . . 0.449 ' H ' ' CG ' ' A' ' 10' ' ' ASP . 14.3 p -78.69 -37.81 40.77 Favored 'General case' 0 C--N 1.293 -1.881 0 N-CA-C 108.184 -1.043 . . . . 0.0 108.184 176.097 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 27.8 mm-40 -86.63 -50.06 7.07 Favored 'General case' 0 N--CA 1.439 -1.013 0 CA-C-N 115.726 -0.67 . . . . 0.0 111.147 178.456 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 13' ' ' ARG . . . . . 0.491 ' O ' ' HB2' ' A' ' 9' ' ' CYS . 5.9 mmp_? -77.24 111.01 12.43 Favored 'General case' 0 C--O 1.21 -0.999 0 N-CA-C 108.31 -0.996 . . . . 0.0 108.31 176.689 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 62.4 pttt -106.65 149.34 27.32 Favored 'General case' 0 C--N 1.277 -2.563 0 C-N-CA 120.578 -0.449 . . . . 0.0 112.121 -179.553 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 15' ' ' CYS . . . . . 0.7 ' SG ' ' HA ' ' A' ' 21' ' ' CYS . 61.4 m -70.67 160.44 32.6 Favored 'General case' 0 C--N 1.321 -0.671 0 CA-C-N 116.017 -0.538 . . . . 0.0 109.801 178.022 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 3.1 t -74.34 174.78 8.37 Favored 'General case' 0 C--N 1.314 -0.938 0 CA-C-O 121.105 0.478 . . . . 0.0 111.001 -175.483 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 66.7 tttm -68.1 126.26 28.96 Favored 'General case' 0 N--CA 1.44 -0.929 0 CA-C-N 115.791 -0.64 . . . . 0.0 109.486 179.059 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 96.0 10.3 56.37 Favored Glycine 0 C--N 1.309 -0.931 0 N-CA-C 110.459 -1.056 . . . . 0.0 110.459 -177.585 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 19' ' ' MET . . . . . . . . . . . . . 67.1 mtt -122.13 159.2 27.68 Favored 'General case' 0 N--CA 1.433 -1.299 0 CA-C-N 115.008 -0.596 . . . . 0.0 109.477 177.292 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 72.5 t -105.86 123.69 60.54 Favored 'Isoleucine or valine' 0 C--N 1.292 -1.908 0 N-CA-C 107.352 -1.351 . . . . 0.0 107.352 177.615 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 21' ' ' CYS . . . . . 0.7 ' HA ' ' SG ' ' A' ' 15' ' ' CYS . 34.6 t -76.5 107.46 8.79 Favored 'General case' 0 CA--C 1.501 -0.918 0 N-CA-C 107.538 -1.282 . . . . 0.0 107.538 178.407 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 56.3 ttt180 -142.73 -170.19 3.16 Favored 'General case' 0 N--CA 1.401 -2.919 0 N-CA-C 108.102 -1.073 . . . . 0.0 108.102 -173.308 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 2.9 mm? -55.2 -18.11 5.42 Favored 'General case' 0 N--CA 1.472 0.637 0 C-N-CA 124.183 0.993 . . . . 0.0 110.668 177.46 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 24' ' ' TRP . . . . . 0.494 ' HA ' ' HA ' ' A' ' 8' ' ' THR . 14.7 p90 -147.17 157.75 43.71 Favored 'General case' 0 N--CA 1.416 -2.126 0 N-CA-C 105.752 -1.944 . . . . 0.0 105.752 170.967 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 61.3 m -82.66 114.24 20.9 Favored 'General case' 0 CA--C 1.492 -1.266 0 CA-C-N 118.933 0.788 . . . . 0.0 110.695 178.644 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 86.7 tttt -110.34 118.24 35.79 Favored 'General case' 0 N--CA 1.412 -2.37 0 CA-C-N 115.524 -0.762 . . . . 0.0 110.739 -177.069 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 22.0 pttp . . . . . 0 C--N 1.308 -1.206 0 N-CA-C 108.695 -0.854 . . . . 0.0 108.695 175.018 . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 3' ' ' GLN . . . . . 0.439 ' HG2' ' O ' ' A' ' 14' ' ' LYS . 10.3 mm100 . . . . . 0 CA--C 1.508 -0.644 0 N-CA-C 109.701 -0.481 . . . . 0.0 109.701 . . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 95.3 mttt -94.42 176.59 6.24 Favored 'General case' 0 C--N 1.306 -1.305 0 CA-C-N 115.515 -0.766 . . . . 0.0 110.828 -179.189 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 5' ' ' TRP . . . . . . . . . . . . . 44.7 p90 -63.24 -23.84 67.6 Favored 'General case' 0 N--CA 1.478 0.955 0 C-N-CA 124.665 1.186 . . . . 0.0 110.772 178.388 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 6' ' ' MET . . . . . . . . . . . . . 39.0 ttm -81.36 -21.65 38.96 Favored 'General case' 0 C--N 1.308 -1.201 0 CA-C-N 114.851 -1.068 . . . . 0.0 110.383 178.387 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 7' ' ' TRP . . . . . . . . . . . . . 17.7 m0 -96.67 -176.55 3.63 Favored 'General case' 0 C--N 1.295 -1.79 0 CA-C-N 114.919 -1.037 . . . . 0.0 110.525 -171.375 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 8' ' ' THR . . . . . 0.501 ' HB ' ' O ' ' A' ' 23' ' ' LEU . 71.3 p -128.22 167.79 16.37 Favored 'General case' 0 C--N 1.302 -1.477 0 N-CA-C 107.711 -1.218 . . . . 0.0 107.711 178.921 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 26.4 p -133.91 -178.5 5.05 Favored 'General case' 0 C--O 1.253 1.283 0 C-N-CA 117.541 -1.663 . . . . 0.0 111.834 177.019 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 17.7 t70 -157.95 -165.35 1.71 Allowed 'General case' 0 C--N 1.309 -1.153 0 N-CA-C 105.444 -2.058 . . . . 0.0 105.444 -175.812 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 19.5 m -80.74 -26.5 37.33 Favored 'General case' 0 C--N 1.306 -1.284 0 N-CA-C 108.421 -0.955 . . . . 0.0 108.421 177.57 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 45.3 mt-10 -83.18 -57.59 3.21 Favored 'General case' 0 N--CA 1.442 -0.835 0 CA-C-N 115.143 -0.935 . . . . 0.0 109.51 177.109 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 4.6 mmp_? -71.75 112.02 7.51 Favored 'General case' 0 CA--C 1.509 -0.625 0 N-CA-C 109.753 -0.462 . . . . 0.0 109.753 177.544 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 14' ' ' LYS . . . . . 0.467 ' H ' ' HD3' ' A' ' 14' ' ' LYS . 0.0 OUTLIER -88.85 132.3 34.72 Favored 'General case' 0 C--N 1.3 -1.551 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.176 -177.596 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 8.2 t -92.48 157.64 16.45 Favored 'General case' 0 C--N 1.295 -1.774 0 N-CA-C 108.365 -0.976 . . . . 0.0 108.365 -177.7 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 75.3 m -72.47 149.59 44.04 Favored 'General case' 0 C--N 1.306 -1.307 0 CA-C-O 121.324 0.583 . . . . 0.0 112.124 -176.235 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 99.0 mttt -71.18 131.5 43.63 Favored 'General case' 0 N--CA 1.434 -1.254 0 N-CA-C 107.634 -1.247 . . . . 0.0 107.634 175.073 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 107.05 2.3 36.15 Favored Glycine 0 C--N 1.287 -2.152 0 N-CA-C 108.655 -1.778 . . . . 0.0 108.655 -171.721 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 19' ' ' MET . . . . . 0.402 ' HG2' ' HA ' ' A' ' 27' ' ' LYS . 65.4 mtt -131.29 159.24 38.43 Favored 'General case' 0 CA--C 1.498 -1.04 0 N-CA-C 107.426 -1.324 . . . . 0.0 107.426 175.76 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 65.4 t -106.16 125.4 61.8 Favored 'Isoleucine or valine' 0 C--N 1.287 -2.15 0 N-CA-C 107.237 -1.394 . . . . 0.0 107.237 177.28 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 27.5 t -80.25 136.32 36.43 Favored 'General case' 0 N--CA 1.429 -1.493 0 N-CA-C 108.612 -0.884 . . . . 0.0 108.612 -178.343 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 22' ' ' ARG . . . . . 0.401 ' HG2' ' H ' ' A' ' 23' ' ' LEU . 57.6 ttt180 -167.52 -167.32 0.87 Allowed 'General case' 0 C--O 1.279 2.613 0 N-CA-C 106.526 -1.657 . . . . 0.0 106.526 -175.289 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 23' ' ' LEU . . . . . 0.501 ' O ' ' HB ' ' A' ' 8' ' ' THR . 6.5 mp -54.64 -23.46 17.25 Favored 'General case' 0 N--CA 1.474 0.763 0 C-N-CA 122.695 0.398 . . . . 0.0 110.156 176.03 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 24' ' ' TRP . . . . . 0.447 ' HA ' ' HA ' ' A' ' 8' ' ' THR . 9.3 p90 -138.09 162.16 34.91 Favored 'General case' 0 N--CA 1.423 -1.811 0 N-CA-C 106.457 -1.682 . . . . 0.0 106.457 174.063 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 14.7 m -92.5 131.95 37.22 Favored 'General case' 0 C--N 1.307 -1.241 0 CA-C-N 118.68 0.673 . . . . 0.0 110.427 176.29 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 86.5 tttt -130.07 122.13 27.73 Favored 'General case' 0 N--CA 1.42 -1.932 0 CA-C-N 116.24 -0.436 . . . . 0.0 109.965 -179.445 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 27' ' ' LYS . . . . . 0.402 ' HA ' ' HG2' ' A' ' 19' ' ' MET . 13.7 ptmm? . . . . . 0 C--N 1.308 -1.226 0 CA-C-O 121.394 0.616 . . . . 0.0 111.427 -176.724 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 3' ' ' GLN . . . . . 0.453 ' HB2' ' HA ' ' A' ' 15' ' ' CYS . 15.5 mm100 . . . . . 0 N--CA 1.433 -1.312 0 N-CA-C 106.493 -1.669 . . . . 0.0 106.493 . . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 93.2 mttt -80.82 165.54 21.78 Favored 'General case' 0 C--N 1.308 -1.203 0 CA-C-N 115.393 -0.821 . . . . 0.0 111.053 -175.216 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 5' ' ' TRP . . . . . . . . . . . . . 42.9 p90 -55.88 -26.86 49.17 Favored 'General case' 0 N--CA 1.479 1.011 0 C-N-CA 125.713 1.605 . . . . 0.0 110.853 176.636 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 6' ' ' MET . . . . . . . . . . . . . 25.5 ttt -66.17 -27.05 67.72 Favored 'General case' 0 C--N 1.316 -0.882 0 CA-C-N 114.525 -1.216 . . . . 0.0 110.925 179.003 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 7' ' ' TRP . . . . . . . . . . . . . 19.9 m0 -108.05 -168.95 1.43 Allowed 'General case' 0 C--N 1.304 -1.372 0 CA-C-N 115.852 -0.613 . . . . 0.0 110.057 -175.862 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 8' ' ' THR . . . . . 0.503 ' HA ' ' HA ' ' A' ' 24' ' ' TRP . 45.4 p -125.68 163.06 23.63 Favored 'General case' 0 C--N 1.304 -1.403 0 N-CA-C 108.953 -0.758 . . . . 0.0 108.953 -177.598 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 9' ' ' CYS . . . . . 0.672 ' HB2' ' O ' ' A' ' 13' ' ' ARG . 19.8 p -128.36 177.99 6.58 Favored 'General case' 0 C--O 1.248 1.017 0 C-N-CA 117.328 -1.749 . . . . 0.0 110.392 177.729 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 7.5 t70 -147.48 -161.42 1.33 Allowed 'General case' 0 C--N 1.31 -1.148 0 N-CA-C 105.134 -2.172 . . . . 0.0 105.134 178.526 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 76.2 p -79.71 -19.8 48.01 Favored 'General case' 0 C--N 1.315 -0.924 0 CA-C-N 120.295 1.407 . . . . 0.0 109.708 178.209 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 45.4 mt-10 -82.16 -64.66 1.13 Allowed 'General case' 0 N--CA 1.443 -0.798 0 CA-C-N 115.019 -0.991 . . . . 0.0 110.289 178.879 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 13' ' ' ARG . . . . . 0.672 ' O ' ' HB2' ' A' ' 9' ' ' CYS . 80.4 mtm180 -84.65 116.2 23.07 Favored 'General case' 0 C--O 1.206 -1.21 0 N-CA-C 108.405 -0.961 . . . . 0.0 108.405 175.335 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 49.5 mtmt -105.11 150.19 25.23 Favored 'General case' 0 C--N 1.309 -1.163 0 N-CA-C 109.257 -0.645 . . . . 0.0 109.257 -179.766 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 15' ' ' CYS . . . . . 0.453 ' HA ' ' HB2' ' A' ' 3' ' ' GLN . 13.7 m -79.64 147.67 31.93 Favored 'General case' 0 C--N 1.311 -1.099 0 N-CA-C 107.957 -1.127 . . . . 0.0 107.957 176.156 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 67.6 m -72.7 162.33 29.61 Favored 'General case' 0 C--N 1.313 -0.993 0 C-N-CA 120.202 -0.599 . . . . 0.0 111.64 177.749 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 60.9 tttm -53.42 133.86 40.4 Favored 'General case' 0 N--CA 1.453 -0.323 0 C-N-CA 124.282 1.033 . . . . 0.0 111.16 -178.233 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 111.14 -18.33 26.01 Favored Glycine 0 C--N 1.307 -1.083 0 N-CA-C 108.715 -1.754 . . . . 0.0 108.715 -175.924 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 19' ' ' MET . . . . . . . . . . . . . 51.3 mtm -124.63 147.92 48.23 Favored 'General case' 0 N--CA 1.427 -1.604 0 N-CA-C 107.705 -1.22 . . . . 0.0 107.705 175.985 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 8.9 p -106.47 133.03 52.17 Favored 'Isoleucine or valine' 0 C--N 1.291 -1.95 0 N-CA-C 108.128 -1.064 . . . . 0.0 108.128 -179.37 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 21' ' ' CYS . . . . . 0.405 ' HA ' ' SG ' ' A' ' 15' ' ' CYS . 11.4 t -71.53 120.44 17.12 Favored 'General case' 0 N--CA 1.431 -1.411 0 CA-C-N 115.677 -0.692 . . . . 0.0 109.271 -177.707 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 22' ' ' ARG . . . . . 0.44 ' HG3' ' H ' ' A' ' 23' ' ' LEU . 22.2 tpt180 -149.77 -174.52 4.72 Favored 'General case' 0 C--O 1.286 3.017 0 N-CA-C 107.052 -1.462 . . . . 0.0 107.052 -175.913 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 23' ' ' LEU . . . . . 0.44 ' H ' ' HG3' ' A' ' 22' ' ' ARG . 74.3 mt -49.34 -28.2 4.72 Favored 'General case' 0 N--CA 1.47 0.554 0 C-N-CA 123.867 0.867 . . . . 0.0 110.407 175.909 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 24' ' ' TRP . . . . . 0.503 ' HA ' ' HA ' ' A' ' 8' ' ' THR . 12.6 p90 -138.07 158.63 43.94 Favored 'General case' 0 N--CA 1.422 -1.848 0 N-CA-C 105.41 -2.07 . . . . 0.0 105.41 171.158 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 67.0 m -74.89 114.26 13.14 Favored 'General case' 0 C--N 1.31 -1.127 0 C-N-CA 119.35 -0.94 . . . . 0.0 109.635 176.683 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 60.1 tttp -110.7 146.54 36.08 Favored 'General case' 0 C--N 1.298 -1.659 0 N-CA-C 108.999 -0.741 . . . . 0.0 108.999 -177.54 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 90.8 mttt . . . . . 0 C--N 1.304 -1.38 0 N-CA-C 109.339 -0.615 . . . . 0.0 109.339 177.145 . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 15.3 mm100 . . . . . 0 N--CA 1.432 -1.337 0 N-CA-C 109.805 -0.443 . . . . 0.0 109.805 . . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 97.0 mttt -94.94 166.11 12.12 Favored 'General case' 0 C--N 1.307 -1.265 0 N-CA-C 108.648 -0.871 . . . . 0.0 108.648 176.725 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 5' ' ' TRP . . . . . . . . . . . . . 19.4 p-90 -68.33 -19.7 64.68 Favored 'General case' 0 N--CA 1.487 1.395 0 CA-C-O 122.263 1.03 . . . . 0.0 110.155 -177.142 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 6' ' ' MET . . . . . 0.465 ' HG3' ' CD1' ' A' ' 7' ' ' TRP . 23.3 ptp -79.09 -7.98 58.59 Favored 'General case' 0 C--N 1.309 -1.166 0 CA-C-N 114.623 -1.171 . . . . 0.0 110.282 -179.834 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 7' ' ' TRP . . . . . 0.465 ' CD1' ' HG3' ' A' ' 6' ' ' MET . 43.1 m0 -112.93 -175.27 2.63 Favored 'General case' 0 N--CA 1.443 -0.788 0 N-CA-C 109.051 -0.722 . . . . 0.0 109.051 -179.887 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 8' ' ' THR . . . . . 0.554 ' HA ' ' HA ' ' A' ' 24' ' ' TRP . 31.4 p -125.32 167.61 14.67 Favored 'General case' 0 C--N 1.299 -1.627 0 CA-C-O 119.044 -0.503 . . . . 0.0 110.432 -176.099 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 9' ' ' CYS . . . . . 0.5 ' HB2' ' O ' ' A' ' 13' ' ' ARG . 28.7 p -133.77 177.26 7.85 Favored 'General case' 0 C--O 1.245 0.862 0 C-N-CA 118.046 -1.461 . . . . 0.0 110.23 174.329 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 14.0 m-20 -148.58 -170.47 3.62 Favored 'General case' 0 CA--C 1.497 -1.069 0 N-CA-C 108.243 -1.021 . . . . 0.0 108.243 -173.686 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 8.6 m -72.79 -26.08 61.39 Favored 'General case' 0 C--N 1.312 -1.03 0 N-CA-C 108.184 -1.043 . . . . 0.0 108.184 174.756 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 20.4 mm-40 -86.65 -51.22 6.26 Favored 'General case' 0 N--CA 1.447 -0.602 0 CA-C-N 114.927 -1.033 . . . . 0.0 110.192 178.708 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 13' ' ' ARG . . . . . 0.5 ' O ' ' HB2' ' A' ' 9' ' ' CYS . 68.7 mtm180 -87.83 111.93 21.93 Favored 'General case' 0 C--N 1.311 -1.071 0 CA-C-N 115.945 -0.57 . . . . 0.0 110.348 -178.642 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 21.6 ptmt -79.43 144.24 34.27 Favored 'General case' 0 C--N 1.303 -1.446 0 N-CA-C 109.654 -0.498 . . . . 0.0 109.654 178.509 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 15' ' ' CYS . . . . . 0.498 ' HB2' ' SG ' ' A' ' 9' ' ' CYS . 14.0 t -95.01 165.66 12.33 Favored 'General case' 0 C--N 1.292 -1.913 0 N-CA-C 107.415 -1.328 . . . . 0.0 107.415 175.754 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 81.0 m -90.52 149.77 22.04 Favored 'General case' 0 C--N 1.296 -1.741 0 CA-C-O 121.009 0.433 . . . . 0.0 112.032 -178.171 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -59.89 139.07 57.62 Favored 'General case' 0 C--O 1.242 0.661 0 CA-C-N 115.771 -0.649 . . . . 0.0 110.583 177.941 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 111.97 -15.86 25.78 Favored Glycine 0 C--N 1.303 -1.257 0 N-CA-C 108.369 -1.893 . . . . 0.0 108.369 -172.89 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 19' ' ' MET . . . . . . . . . . . . . 65.4 mtt -124.74 162.65 23.78 Favored 'General case' 0 N--CA 1.421 -1.884 0 CA-C-N 113.892 -1.154 . . . . 0.0 108.942 177.538 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 58.7 t -106.61 119.54 56.27 Favored 'Isoleucine or valine' 0 C--N 1.275 -2.646 0 N-CA-C 106.834 -1.543 . . . . 0.0 106.834 176.839 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 38.4 t -77.36 106.66 9.24 Favored 'General case' 0 C--N 1.301 -1.524 0 CA-C-N 115.417 -0.811 . . . . 0.0 110.448 -176.067 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 22' ' ' ARG . . . . . 0.415 ' HB3' ' H ' ' A' ' 23' ' ' LEU . 3.4 mmp_? -136.75 -152.17 0.44 Allowed 'General case' 0 C--O 1.281 2.756 0 N-CA-C 108.48 -0.933 . . . . 0.0 108.48 178.014 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 23' ' ' LEU . . . . . 0.415 ' H ' ' HB3' ' A' ' 22' ' ' ARG . 97.2 mt -58.87 -27.86 65.57 Favored 'General case' 0 CA--C 1.503 -0.844 0 CA-C-N 114.087 -1.415 . . . . 0.0 108.943 178.149 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 24' ' ' TRP . . . . . 0.554 ' HA ' ' HA ' ' A' ' 8' ' ' THR . 28.9 p90 -137.93 167.31 22.02 Favored 'General case' 0 N--CA 1.415 -2.204 0 N-CA-C 107.109 -1.441 . . . . 0.0 107.109 169.748 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 54.7 m -85.57 113.06 21.52 Favored 'General case' 0 C--N 1.3 -1.563 0 C-N-CA 120.055 -0.658 . . . . 0.0 110.014 176.344 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 40.1 ttmt -100.49 118.05 35.91 Favored 'General case' 0 N--CA 1.424 -1.758 0 N-CA-C 108.115 -1.069 . . . . 0.0 108.115 -179.342 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 59.9 pttt . . . . . 0 C--N 1.293 -1.87 0 C-N-CA 120.298 -0.561 . . . . 0.0 110.112 -179.378 . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' A' A ' 3' ' ' GLN . . . . . 0.401 ' HB2' ' HA ' ' A' ' 15' ' ' CYS . 13.1 mm100 . . . . . 0 CA--C 1.517 -0.291 0 CA-C-O 121.015 0.436 . . . . 0.0 110.848 . . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 4' ' ' LYS . . . . . 0.458 ' HB3' ' HZ3' ' A' ' 4' ' ' LYS . 7.7 mtpm? -92.07 159.15 15.83 Favored 'General case' 0 C--N 1.307 -1.255 0 N-CA-C 108.384 -0.969 . . . . 0.0 108.384 179.18 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 5' ' ' TRP . . . . . . . . . . . . . 18.0 p90 -67.34 -22.38 65.6 Favored 'General case' 0 N--CA 1.483 1.213 0 CA-C-O 121.075 0.464 . . . . 0.0 111.567 -174.906 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 6' ' ' MET . . . . . . . . . . . . . 27.5 ttt -82.25 -16.4 49.67 Favored 'General case' 0 C--N 1.312 -1.036 0 CA-C-O 121.715 0.769 . . . . 0.0 110.21 179.435 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 7' ' ' TRP . . . . . . . . . . . . . 46.6 m0 -86.64 -170.47 3.09 Favored 'General case' 0 C--N 1.299 -1.593 0 CA-C-N 115.594 -0.73 . . . . 0.0 110.175 179.392 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 8' ' ' THR . . . . . 0.621 ' HB ' ' O ' ' A' ' 23' ' ' LEU . 61.6 p -126.46 167.32 15.74 Favored 'General case' 0 C--N 1.297 -1.711 0 N-CA-C 107.811 -1.181 . . . . 0.0 107.811 178.71 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 9' ' ' CYS . . . . . 0.503 ' SG ' ' HB2' ' A' ' 15' ' ' CYS . 26.6 p -137.81 -178.13 5.11 Favored 'General case' 0 N--CA 1.434 -1.261 0 C-N-CA 118.515 -1.274 . . . . 0.0 111.028 176.327 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 19.6 m-20 -141.18 -165.65 2.01 Favored 'General case' 0 C--N 1.307 -1.275 0 N-CA-C 107.13 -1.433 . . . . 0.0 107.13 -178.031 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 15.1 m -75.98 -29.92 58.4 Favored 'General case' 0 N--CA 1.431 -1.403 0 N-CA-C 107.179 -1.415 . . . . 0.0 107.179 168.967 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 36.9 mt-10 -77.5 -71.61 0.4 Allowed 'General case' 0 C--O 1.241 0.613 0 CA-C-N 114.742 -1.117 . . . . 0.0 109.021 178.594 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 13' ' ' ARG . . . . . 0.5 ' O ' ' HB2' ' A' ' 9' ' ' CYS . 67.8 mtm180 -66.69 118.75 10.69 Favored 'General case' 0 CA--C 1.503 -0.83 0 N-CA-C 108.24 -1.022 . . . . 0.0 108.24 177.488 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 7.4 ptpp? -104.86 129.35 53.21 Favored 'General case' 0 C--N 1.295 -1.799 0 CA-C-O 121.312 0.577 . . . . 0.0 111.505 -176.207 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 15' ' ' CYS . . . . . 0.503 ' HB2' ' SG ' ' A' ' 9' ' ' CYS . 5.2 t -86.29 160.7 19.06 Favored 'General case' 0 C--N 1.304 -1.403 0 CA-C-N 115.399 -0.819 . . . . 0.0 108.937 -177.497 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 16' ' ' CYS . . . . . 0.419 ' O ' ' HB2' ' A' ' 19' ' ' MET . 72.2 m -68.36 149.85 48.89 Favored 'General case' 0 C--N 1.307 -1.247 0 N-CA-C 113.387 0.884 . . . . 0.0 113.387 -174.151 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 55.1 mttp -72.55 135.46 45.61 Favored 'General case' 0 N--CA 1.429 -1.504 0 N-CA-C 107.401 -1.333 . . . . 0.0 107.401 173.624 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 103.05 2.05 48.58 Favored Glycine 0 C--N 1.287 -2.151 0 N-CA-C 107.93 -2.068 . . . . 0.0 107.93 -168.408 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 19' ' ' MET . . . . . 0.419 ' HB2' ' O ' ' A' ' 16' ' ' CYS . 62.7 mtt -136.07 163.51 30.15 Favored 'General case' 0 N--CA 1.432 -1.375 0 N-CA-C 106.932 -1.507 . . . . 0.0 106.932 175.281 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 59.4 t -105.92 123.83 60.73 Favored 'Isoleucine or valine' 0 C--N 1.284 -2.274 0 N-CA-C 107.099 -1.445 . . . . 0.0 107.099 178.422 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 19.0 t -91.4 115.28 27.9 Favored 'General case' 0 N--CA 1.425 -1.679 0 CA-C-N 115.821 -0.627 . . . . 0.0 109.323 -177.356 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 22' ' ' ARG . . . . . 0.546 ' HA ' ' NE ' ' A' ' 22' ' ' ARG . 1.8 mmp_? -143.52 -159.36 0.97 Allowed 'General case' 0 C--O 1.263 1.768 0 N-CA-C 108.035 -1.098 . . . . 0.0 108.035 177.956 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 23' ' ' LEU . . . . . 0.621 ' O ' ' HB ' ' A' ' 8' ' ' THR . 50.8 mt -54.33 -29.4 47.83 Favored 'General case' 0 C--O 1.219 -0.527 0 CA-C-N 115.242 -0.89 . . . . 0.0 109.83 175.275 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 24' ' ' TRP . . . . . 0.458 ' HA ' ' HA ' ' A' ' 8' ' ' THR . 24.5 p90 -133.02 160.9 35.82 Favored 'General case' 0 N--CA 1.423 -1.791 0 N-CA-C 107.115 -1.439 . . . . 0.0 107.115 174.122 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 66.6 m -86.51 141.75 28.84 Favored 'General case' 0 C--N 1.311 -1.078 0 C-N-CA 120.573 -0.451 . . . . 0.0 110.028 175.978 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 39.3 ttpt -135.41 144.0 46.28 Favored 'General case' 0 C--N 1.298 -1.644 0 N-CA-C 107.848 -1.167 . . . . 0.0 107.848 -178.174 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 23.8 pttm . . . . . 0 C--O 1.245 0.859 0 CA-C-O 121.261 0.553 . . . . 0.0 111.339 -179.596 . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' A' A ' 3' ' ' GLN . . . . . 0.476 ' HB2' ' HA ' ' A' ' 15' ' ' CYS . 15.2 mm100 . . . . . 0 N--CA 1.442 -0.857 0 CA-C-O 121.24 0.543 . . . . 0.0 112.231 . . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 66.0 mttm -87.44 171.67 10.38 Favored 'General case' 0 C--N 1.312 -1.049 0 CA-C-N 115.407 -0.815 . . . . 0.0 110.335 -178.71 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 5' ' ' TRP . . . . . . . . . . . . . 39.0 p90 -58.28 -29.39 65.78 Favored 'General case' 0 N--CA 1.477 0.889 0 C-N-CA 124.938 1.295 . . . . 0.0 111.019 -179.019 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 6' ' ' MET . . . . . 0.41 ' HG3' ' CD1' ' A' ' 7' ' ' TRP . 24.8 ptm -84.69 -8.0 59.02 Favored 'General case' 0 C--N 1.31 -1.124 0 CA-C-N 115.104 -0.953 . . . . 0.0 111.78 -177.157 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 7' ' ' TRP . . . . . 0.41 ' CD1' ' HG3' ' A' ' 6' ' ' MET . 47.7 m0 -110.08 -174.94 2.61 Favored 'General case' 0 C--N 1.31 -1.144 0 N-CA-C 109.606 -0.516 . . . . 0.0 109.606 -178.417 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 8' ' ' THR . . . . . 0.506 ' HA ' ' HA ' ' A' ' 24' ' ' TRP . 82.4 p -120.92 169.39 10.5 Favored 'General case' 0 C--N 1.295 -1.802 0 N-CA-C 108.319 -0.993 . . . . 0.0 108.319 -178.922 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 9' ' ' CYS . . . . . 0.655 ' HB2' ' O ' ' A' ' 13' ' ' ARG . 16.1 p -134.62 169.87 16.66 Favored 'General case' 0 N--CA 1.439 -1.001 0 C-N-CA 118.049 -1.46 . . . . 0.0 111.498 178.001 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 42.7 m-20 -141.97 -166.36 2.21 Favored 'General case' 0 C--N 1.313 -0.981 0 N-CA-C 105.835 -1.913 . . . . 0.0 105.835 -179.892 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 43.5 m -70.52 -23.01 62.56 Favored 'General case' 0 C--N 1.312 -1.044 0 CA-C-O 121.574 0.702 . . . . 0.0 109.555 174.518 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 26.7 mt-10 -84.95 -70.22 0.6 Allowed 'General case' 0 C--N 1.319 -0.735 0 CA-C-N 115.183 -0.917 . . . . 0.0 109.762 179.469 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 13' ' ' ARG . . . . . 0.655 ' O ' ' HB2' ' A' ' 9' ' ' CYS . 64.8 mtm180 -75.74 114.19 14.06 Favored 'General case' 0 C--O 1.202 -1.44 0 N-CA-C 108.132 -1.062 . . . . 0.0 108.132 178.62 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 21.5 ptmt -106.71 141.79 37.41 Favored 'General case' 0 C--N 1.305 -1.344 0 CA-C-N 118.905 0.775 . . . . 0.0 112.222 178.001 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 15' ' ' CYS . . . . . 0.566 ' SG ' ' HA ' ' A' ' 21' ' ' CYS . 59.2 m -65.94 150.65 48.29 Favored 'General case' 0 C--O 1.243 0.751 0 C-N-CA 122.817 0.447 . . . . 0.0 110.67 179.111 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 93.9 m -64.62 167.33 7.38 Favored 'General case' 0 C--N 1.309 -1.167 0 N-CA-C 112.732 0.642 . . . . 0.0 112.732 -179.797 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 12.6 mptt -70.26 131.24 43.89 Favored 'General case' 0 N--CA 1.435 -1.181 0 CA-C-O 121.359 0.6 . . . . 0.0 110.851 -177.448 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 100.14 6.29 53.84 Favored Glycine 0 N--CA 1.431 -1.659 0 N-CA-C 109.664 -1.374 . . . . 0.0 109.664 -175.948 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 19' ' ' MET . . . . . . . . . . . . . 63.9 mtt -123.64 159.45 29.29 Favored 'General case' 0 N--CA 1.429 -1.512 0 N-CA-C 109.576 -0.528 . . . . 0.0 109.576 179.027 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 59.6 t -105.81 126.76 61.17 Favored 'Isoleucine or valine' 0 C--N 1.289 -2.024 0 N-CA-C 107.053 -1.462 . . . . 0.0 107.053 179.863 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 21' ' ' CYS . . . . . 0.566 ' HA ' ' SG ' ' A' ' 15' ' ' CYS . 11.2 t -90.99 125.46 35.8 Favored 'General case' 0 C--N 1.305 -1.33 0 N-CA-C 109.269 -0.641 . . . . 0.0 109.269 -176.084 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 22' ' ' ARG . . . . . 0.61 ' HG2' ' H ' ' A' ' 23' ' ' LEU . 44.7 ttt180 -161.76 -163.47 0.97 Allowed 'General case' 0 N--CA 1.425 -1.69 0 N-CA-C 106.237 -1.764 . . . . 0.0 106.237 179.137 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 23' ' ' LEU . . . . . 0.61 ' H ' ' HG2' ' A' ' 22' ' ' ARG . 2.9 mm? -50.77 -21.89 1.86 Allowed 'General case' 0 N--CA 1.475 0.8 0 C-N-CA 123.878 0.871 . . . . 0.0 111.772 177.555 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 24' ' ' TRP . . . . . 0.506 ' HA ' ' HA ' ' A' ' 8' ' ' THR . 19.7 p90 -144.52 158.75 43.61 Favored 'General case' 0 N--CA 1.425 -1.683 0 N-CA-C 107.238 -1.393 . . . . 0.0 107.238 172.498 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 85.2 m -86.68 138.12 31.91 Favored 'General case' 0 C--N 1.315 -0.912 0 CA-C-O 121.226 0.536 . . . . 0.0 110.487 178.421 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 39.5 ttmt -132.84 141.14 48.28 Favored 'General case' 0 C--N 1.294 -1.842 0 N-CA-C 108.109 -1.071 . . . . 0.0 108.109 -178.157 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 97.6 mttt . . . . . 0 C--N 1.309 -1.178 0 N-CA-C 108.87 -0.789 . . . . 0.0 108.87 176.394 . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 11.0 mm100 . . . . . 0 N--CA 1.442 -0.826 0 CA-C-O 121.091 0.472 . . . . 0.0 111.949 . . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 94.1 mttt -94.22 169.38 10.29 Favored 'General case' 0 C--N 1.314 -0.956 0 CA-C-N 115.153 -0.931 . . . . 0.0 109.137 178.907 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 5' ' ' TRP . . . . . . . . . . . . . 46.7 p90 -61.56 -26.67 68.1 Favored 'General case' 0 N--CA 1.477 0.877 0 C-N-CA 123.961 0.905 . . . . 0.0 112.619 -175.992 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 6' ' ' MET . . . . . . . . . . . . . 27.6 ttt -85.59 -11.63 53.51 Favored 'General case' 0 C--N 1.31 -1.148 0 CA-C-O 121.968 0.889 . . . . 0.0 110.249 -178.859 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 7' ' ' TRP . . . . . . . . . . . . . 35.8 m0 -98.71 -176.78 3.45 Favored 'General case' 0 C--N 1.293 -1.884 0 CA-C-N 114.999 -1.001 . . . . 0.0 109.516 -177.767 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 8' ' ' THR . . . . . 0.506 ' HA ' ' HA ' ' A' ' 24' ' ' TRP . 82.4 p -125.97 164.57 20.51 Favored 'General case' 0 C--N 1.304 -1.392 0 N-CA-C 108.295 -1.002 . . . . 0.0 108.295 179.294 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 9' ' ' CYS . . . . . 0.582 ' SG ' ' HB2' ' A' ' 15' ' ' CYS . 30.2 p -136.8 161.99 34.46 Favored 'General case' 0 N--CA 1.444 -0.763 0 C-N-CA 117.767 -1.573 . . . . 0.0 111.012 177.204 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 26.3 m-20 -150.27 -144.18 0.15 Allowed 'General case' 0 C--N 1.32 -0.708 0 N-CA-C 107.71 -1.219 . . . . 0.0 107.71 -179.448 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 15.9 t -75.0 -45.36 42.45 Favored 'General case' 0 CA--C 1.548 0.891 0 CA-C-N 118.184 0.447 . . . . 0.0 111.706 -175.959 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 23.5 mm-40 -82.23 -42.35 19.04 Favored 'General case' 0 C--N 1.322 -0.587 0 CA-C-O 121.401 0.62 . . . . 0.0 111.598 -176.409 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 13' ' ' ARG . . . . . 0.427 ' HA ' ' HE ' ' A' ' 13' ' ' ARG . 2.9 mmp_? -93.99 111.96 23.73 Favored 'General case' 0 C--N 1.297 -1.706 0 N-CA-C 108.537 -0.912 . . . . 0.0 108.537 176.442 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 28.1 mtpp -101.19 140.32 35.65 Favored 'General case' 0 C--N 1.286 -2.184 0 N-CA-C 109.046 -0.724 . . . . 0.0 109.046 -178.7 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 15' ' ' CYS . . . . . 0.582 ' HB2' ' SG ' ' A' ' 9' ' ' CYS . 8.4 t -84.61 162.38 19.78 Favored 'General case' 0 C--N 1.296 -1.748 0 CA-C-N 115.961 -0.563 . . . . 0.0 109.697 -177.031 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 80.2 m -77.98 145.71 35.85 Favored 'General case' 0 C--N 1.297 -1.694 0 CA-C-O 121.258 0.552 . . . . 0.0 111.55 -176.916 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -66.31 140.29 58.1 Favored 'General case' 0 C--N 1.323 -0.543 0 CA-C-N 115.927 -0.578 . . . . 0.0 110.322 177.689 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 112.08 -20.76 21.25 Favored Glycine 0 C--N 1.306 -1.124 0 N-CA-C 108.379 -1.888 . . . . 0.0 108.379 -171.928 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 19' ' ' MET . . . . . . . . . . . . . 63.1 mtt -114.3 173.45 6.44 Favored 'General case' 0 N--CA 1.438 -1.04 0 N-CA-C 107.607 -1.257 . . . . 0.0 107.607 175.953 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 61.1 t -106.41 127.23 61.9 Favored 'Isoleucine or valine' 0 C--N 1.282 -2.333 0 N-CA-C 106.722 -1.584 . . . . 0.0 106.722 175.082 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 25.7 t -83.2 107.58 15.85 Favored 'General case' 0 N--CA 1.425 -1.713 0 N-CA-C 107.353 -1.351 . . . . 0.0 107.353 179.009 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 22' ' ' ARG . . . . . 0.527 ' HG3' ' H ' ' A' ' 23' ' ' LEU . 13.8 tpp180 -139.08 -168.0 2.34 Favored 'General case' 0 C--O 1.273 2.298 0 N-CA-C 107.011 -1.477 . . . . 0.0 107.011 -174.053 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 23' ' ' LEU . . . . . 0.527 ' H ' ' HG3' ' A' ' 22' ' ' ARG . 70.0 mt -48.04 -28.96 3.12 Favored 'General case' 0 N--CA 1.47 0.535 0 C-N-CA 125.043 1.337 . . . . 0.0 110.503 176.234 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 24' ' ' TRP . . . . . 0.506 ' HA ' ' HA ' ' A' ' 8' ' ' THR . 32.0 p90 -141.31 163.9 31.7 Favored 'General case' 0 N--CA 1.415 -2.188 0 N-CA-C 105.432 -2.062 . . . . 0.0 105.432 173.206 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 53.2 m -80.84 128.64 33.89 Favored 'General case' 0 C--N 1.303 -1.419 0 CA-C-N 118.748 0.704 . . . . 0.0 110.693 176.162 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 87.0 tttt -130.86 122.05 26.36 Favored 'General case' 0 C--N 1.289 -2.041 0 CA-C-N 115.505 -0.771 . . . . 0.0 109.087 -174.913 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 27.7 mtpp . . . . . 0 C--N 1.312 -1.041 0 CA-C-O 121.038 0.447 . . . . 0.0 110.338 179.388 . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 1' ' ' TYR . . . . . . . . . . . . . 85.9 m-85 . . . . . 0 CA--C 1.497 -1.075 0 N-CA-C 108.584 -0.895 . . . . 0.0 108.584 . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 2' ' ' CYS . . . . . . . . . . . . . 25.1 p -89.46 157.14 18.24 Favored 'General case' 0 C--N 1.299 -1.601 0 N-CA-C 106.073 -1.825 . . . . 0.0 106.073 168.868 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 3' ' ' GLN . . . . . 0.474 ' HB2' ' HA ' ' A' ' 15' ' ' CYS . 13.5 mm100 -82.76 124.84 30.64 Favored 'General case' 0 C--N 1.298 -1.652 0 CA-C-O 121.579 0.704 . . . . 0.0 111.196 -175.163 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 59.3 mtpt -77.05 173.69 11.51 Favored 'General case' 0 C--N 1.317 -0.833 0 CA-C-N 113.934 -1.484 . . . . 0.0 111.437 -176.565 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 5' ' ' TRP . . . . . . . . . . . . . 12.5 p-90 -61.25 -31.82 71.62 Favored 'General case' 0 N--CA 1.478 0.949 0 N-CA-C 111.974 0.361 . . . . 0.0 111.974 -175.529 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 6' ' ' MET . . . . . . . . . . . . . 22.9 ptp -93.02 8.38 40.18 Favored 'General case' 0 N--CA 1.442 -0.841 0 CA-C-O 121.566 0.698 . . . . 0.0 110.683 -178.386 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 7' ' ' TRP . . . . . . . . . . . . . 38.2 m0 -107.22 -178.37 3.62 Favored 'General case' 0 C--O 1.255 1.37 0 N-CA-C 108.764 -0.828 . . . . 0.0 108.764 179.508 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 8' ' ' THR . . . . . 0.484 ' HA ' ' HA ' ' A' ' 24' ' ' TRP . 66.4 p -130.29 165.1 23.17 Favored 'General case' 0 C--N 1.305 -1.36 0 N-CA-C 108.182 -1.044 . . . . 0.0 108.182 -178.924 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 9' ' ' CYS . . . . . 0.66 ' HB2' ' O ' ' A' ' 13' ' ' ARG . 25.2 p -123.57 -179.67 4.44 Favored 'General case' 0 C--O 1.248 1.002 0 C-N-CA 116.897 -1.921 . . . . 0.0 111.827 176.927 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 10' ' ' ASP . . . . . 0.464 ' CG ' ' H ' ' A' ' 11' ' ' SER . 31.7 t70 -150.37 -167.01 2.7 Favored 'General case' 0 C--N 1.317 -0.808 0 N-CA-C 106.579 -1.638 . . . . 0.0 106.579 -175.779 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 11' ' ' SER . . . . . 0.464 ' H ' ' CG ' ' A' ' 10' ' ' ASP . 14.3 m -72.87 -28.94 62.81 Favored 'General case' 0 C--N 1.307 -1.269 0 N-CA-C 108.823 -0.806 . . . . 0.0 108.823 178.17 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 35.7 mt-10 -93.29 -53.82 3.94 Favored 'General case' 0 N--CA 1.447 -0.621 0 CA-C-N 115.714 -0.675 . . . . 0.0 109.983 177.851 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 13' ' ' ARG . . . . . 0.66 ' O ' ' HB2' ' A' ' 9' ' ' CYS . 55.0 mtm180 -71.26 118.47 14.09 Favored 'General case' 0 C--O 1.217 -0.655 0 CA-C-N 116.126 -0.488 . . . . 0.0 109.879 -179.629 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 99.7 mttt -105.23 143.09 33.89 Favored 'General case' 0 C--N 1.314 -0.966 0 CA-C-N 117.593 0.179 . . . . 0.0 110.806 178.485 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 15' ' ' CYS . . . . . 0.495 ' SG ' ' HB3' ' A' ' 9' ' ' CYS . 82.5 m -75.75 151.35 37.62 Favored 'General case' 0 C--N 1.317 -0.821 0 N-CA-C 109.488 -0.56 . . . . 0.0 109.488 175.98 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 55.3 m -61.81 142.95 57.0 Favored 'General case' 0 C--N 1.309 -1.195 0 N-CA-C 109.701 -0.481 . . . . 0.0 109.701 177.982 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 97.1 mttt -58.76 136.04 57.63 Favored 'General case' 0 C--O 1.241 0.624 0 C-N-CA 122.961 0.504 . . . . 0.0 110.634 -178.47 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 111.94 -16.35 25.58 Favored Glycine 0 C--N 1.305 -1.194 0 N-CA-C 108.83 -1.708 . . . . 0.0 108.83 -174.495 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 19' ' ' MET . . . . . 0.506 ' HG2' ' HA ' ' A' ' 27' ' ' LYS . 71.0 mtm -122.12 161.07 23.78 Favored 'General case' 0 N--CA 1.432 -1.346 0 N-CA-C 107.245 -1.391 . . . . 0.0 107.245 174.999 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 26.9 m -106.86 144.28 16.16 Favored 'Isoleucine or valine' 0 C--N 1.292 -1.933 0 N-CA-C 110.098 -0.334 . . . . 0.0 110.098 -179.678 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 29.8 t -79.92 126.79 31.46 Favored 'General case' 0 C--N 1.306 -1.318 0 N-CA-C 108.952 -0.759 . . . . 0.0 108.952 179.935 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 22' ' ' ARG . . . . . 0.404 ' N ' ' SG ' ' A' ' 9' ' ' CYS . 10.5 tpp180 -159.05 -174.53 4.78 Favored 'General case' 0 C--O 1.278 2.593 0 N-CA-C 106.517 -1.66 . . . . 0.0 106.517 -176.747 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 96.0 mt -45.79 -32.88 2.77 Favored 'General case' 0 N--CA 1.471 0.587 0 C-N-CA 123.68 0.792 . . . . 0.0 110.553 174.878 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 24' ' ' TRP . . . . . 0.484 ' HA ' ' HA ' ' A' ' 8' ' ' THR . 12.9 p90 -137.73 161.9 35.32 Favored 'General case' 0 N--CA 1.42 -1.974 0 N-CA-C 105.997 -1.853 . . . . 0.0 105.997 173.343 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 77.8 m -80.49 120.35 24.36 Favored 'General case' 0 C--N 1.307 -1.282 0 CA-C-N 118.514 0.597 . . . . 0.0 110.553 178.945 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 29.1 ttpp -119.59 133.39 55.68 Favored 'General case' 0 C--N 1.306 -1.292 0 CA-C-N 115.958 -0.564 . . . . 0.0 110.158 -175.001 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 27' ' ' LYS . . . . . 0.506 ' HA ' ' HG2' ' A' ' 19' ' ' MET . 60.7 pttt -58.0 140.17 52.94 Favored 'General case' 0 C--O 1.242 0.668 0 CA-C-O 121.172 0.51 . . . . 0.0 111.266 177.95 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 62.5 tttp -79.44 97.77 6.52 Favored 'General case' 0 N--CA 1.426 -1.656 0 CA-C-O 121.709 0.766 . . . . 0.0 110.039 -176.789 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 48.0 tp -85.0 -26.89 26.8 Favored 'General case' 0 C--N 1.303 -1.452 0 CA-C-N 114.767 -1.106 . . . . 0.0 108.337 179.308 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 30' ' ' TRP . . . . . . . . . . . . . 64.4 t90 . . . . . 0 N--CA 1.428 -1.527 0 N-CA-C 106.988 -1.486 . . . . 0.0 106.988 178.821 . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 1' ' ' TYR . . . . . . . . . . . . . 60.7 m-85 . . . . . 0 C--O 1.241 0.654 0 N-CA-C 108.847 -0.797 . . . . 0.0 108.847 . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 2' ' ' CYS . . . . . . . . . . . . . 20.1 t -151.39 132.39 14.28 Favored 'General case' 0 CA--C 1.481 -1.703 0 N-CA-C 104.264 -2.495 . . . . 0.0 104.264 171.051 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 3' ' ' GLN . . . . . 0.472 ' HB2' ' HA ' ' A' ' 15' ' ' CYS . 12.2 mm100 -86.93 130.98 34.23 Favored 'General case' 0 C--N 1.268 -2.946 0 C-N-CA 119.903 -0.719 . . . . 0.0 111.582 -172.565 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 14.0 mmmm -88.79 170.46 10.74 Favored 'General case' 0 C--N 1.303 -1.422 0 CA-C-N 114.774 -1.103 . . . . 0.0 109.23 179.312 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 5' ' ' TRP . . . . . . . . . . . . . 11.4 p-90 -72.86 -11.79 60.73 Favored 'General case' 0 C--N 1.318 -0.764 0 CA-C-O 121.363 0.601 . . . . 0.0 110.254 -177.417 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 6' ' ' MET . . . . . 0.499 ' HG3' ' CD1' ' A' ' 7' ' ' TRP . 26.6 ptm -88.08 -5.9 58.21 Favored 'General case' 0 C--N 1.31 -1.114 0 CA-C-N 115.641 -0.709 . . . . 0.0 110.031 179.039 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 7' ' ' TRP . . . . . 0.499 ' CD1' ' HG3' ' A' ' 6' ' ' MET . 36.9 m0 -116.96 -174.28 2.55 Favored 'General case' 0 C--O 1.241 0.637 0 CA-C-O 121.251 0.548 . . . . 0.0 109.932 -178.77 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 8' ' ' THR . . . . . 0.598 ' HB ' ' O ' ' A' ' 23' ' ' LEU . 70.1 p -122.66 161.63 23.47 Favored 'General case' 0 C--N 1.298 -1.652 0 N-CA-C 107.66 -1.237 . . . . 0.0 107.66 -179.83 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 9.4 p -121.56 140.2 52.53 Favored 'General case' 0 CA--C 1.499 -0.992 0 C-N-CA 117.326 -1.75 . . . . 0.0 112.077 176.125 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 10' ' ' ASP . . . . . 0.509 ' H ' ' HB2' ' A' ' 13' ' ' ARG . 4.6 m-20 -94.25 -170.58 2.32 Favored 'General case' 0 C--N 1.294 -1.821 0 N-CA-C 107.166 -1.42 . . . . 0.0 107.166 176.307 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 8.0 m -64.67 -45.21 87.67 Favored 'General case' 0 C--N 1.307 -1.275 0 CA-C-O 120.956 0.408 . . . . 0.0 111.29 -175.932 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 38.6 mm-40 -92.33 -1.42 57.07 Favored 'General case' 0 C--N 1.322 -0.614 0 N-CA-C 111.997 0.369 . . . . 0.0 111.997 -178.803 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 13' ' ' ARG . . . . . 0.509 ' HB2' ' H ' ' A' ' 10' ' ' ASP . 6.7 mmp_? -85.53 117.7 24.59 Favored 'General case' 0 CA--C 1.493 -1.22 0 C-N-CA 119.557 -0.857 . . . . 0.0 109.806 177.16 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 59.4 mtpt -91.05 110.3 21.56 Favored 'General case' 0 C--N 1.277 -2.584 0 CA-C-N 114.967 -1.015 . . . . 0.0 109.214 -179.738 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 15' ' ' CYS . . . . . 0.472 ' HA ' ' HB2' ' A' ' 3' ' ' GLN . 18.1 t -79.5 152.39 30.23 Favored 'General case' 0 C--N 1.3 -1.575 0 CA-C-N 114.818 -1.083 . . . . 0.0 108.273 -179.331 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 80.5 m -62.46 147.12 49.73 Favored 'General case' 0 C--N 1.311 -1.068 0 N-CA-C 113.269 0.841 . . . . 0.0 113.269 -174.805 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 85.9 tttt -68.14 128.69 37.48 Favored 'General case' 0 N--CA 1.442 -0.85 0 CA-C-N 115.574 -0.739 . . . . 0.0 110.846 -175.806 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 112.65 -16.47 23.79 Favored Glycine 0 C--N 1.302 -1.357 0 N-CA-C 109.501 -1.44 . . . . 0.0 109.501 -175.193 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 19' ' ' MET . . . . . . . . . . . . . 65.2 mtt -103.82 159.72 15.4 Favored 'General case' 0 C--N 1.31 -1.15 0 N-CA-C 107.862 -1.162 . . . . 0.0 107.862 176.828 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 90.8 t -105.84 122.2 59.1 Favored 'Isoleucine or valine' 0 C--N 1.283 -2.315 0 N-CA-C 107.866 -1.161 . . . . 0.0 107.866 177.658 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 28.0 t -77.26 131.31 38.11 Favored 'General case' 0 N--CA 1.425 -1.686 0 N-CA-C 108.56 -0.904 . . . . 0.0 108.56 -179.222 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 22' ' ' ARG . . . . . 0.498 ' HA ' ' HE ' ' A' ' 22' ' ' ARG . 2.1 tpm_? -159.69 -170.79 3.03 Favored 'General case' 0 N--CA 1.415 -2.22 0 N-CA-C 104.775 -2.306 . . . . 0.0 104.775 -177.757 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 23' ' ' LEU . . . . . 0.598 ' O ' ' HB ' ' A' ' 8' ' ' THR . 93.9 mt -51.05 -24.1 3.59 Favored 'General case' 0 N--CA 1.471 0.594 0 C-N-CA 123.219 0.608 . . . . 0.0 110.454 174.374 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 24' ' ' TRP . . . . . 0.469 ' HA ' ' HA ' ' A' ' 8' ' ' THR . 16.5 p90 -135.62 159.14 42.53 Favored 'General case' 0 N--CA 1.425 -1.715 0 N-CA-C 106.512 -1.662 . . . . 0.0 106.512 173.074 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 32.7 m -86.14 129.88 34.7 Favored 'General case' 0 C--N 1.31 -1.142 0 CA-C-N 118.821 0.737 . . . . 0.0 110.37 174.66 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 63.5 tttp -113.81 123.4 49.74 Favored 'General case' 0 C--N 1.298 -1.638 0 N-CA-C 108.105 -1.072 . . . . 0.0 108.105 -176.907 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 23.9 pttm -83.0 170.75 14.56 Favored 'General case' 0 C--O 1.25 1.127 0 N-CA-C 108.969 -0.752 . . . . 0.0 108.969 -177.797 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 19.3 pttp -68.31 155.62 39.39 Favored 'General case' 0 C--O 1.25 1.101 0 C-N-CA 120.706 -0.398 . . . . 0.0 110.331 178.22 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 47.7 tp -54.07 -43.9 70.68 Favored 'General case' 0 C--O 1.242 0.706 0 C-N-CA 123.755 0.822 . . . . 0.0 111.966 -173.764 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 30' ' ' TRP . . . . . . . . . . . . . 67.2 t-105 . . . . . 0 C--N 1.308 -1.204 0 N-CA-C 108.368 -0.975 . . . . 0.0 108.368 177.202 . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 1' ' ' TYR . . . . . 0.504 ' HD1' ' SG ' ' A' ' 2' ' ' CYS . 45.8 t80 . . . . . 0 C--O 1.236 0.37 0 N-CA-C 109.18 -0.674 . . . . 0.0 109.18 . . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 2' ' ' CYS . . . . . 0.504 ' SG ' ' HD1' ' A' ' 1' ' ' TYR . 22.2 p -156.56 161.29 39.97 Favored 'General case' 0 N--CA 1.441 -0.876 0 N-CA-C 109.465 -0.568 . . . . 0.0 109.465 178.312 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 3' ' ' GLN . . . . . 0.499 ' HG2' ' O ' ' A' ' 14' ' ' LYS . 10.3 mm100 -83.51 129.66 34.98 Favored 'General case' 0 C--N 1.297 -1.713 0 N-CA-C 109.195 -0.669 . . . . 0.0 109.195 -179.617 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 63.6 mttm -83.14 177.18 8.69 Favored 'General case' 0 C--N 1.31 -1.133 0 CA-C-N 115.459 -0.791 . . . . 0.0 109.805 -178.753 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 5' ' ' TRP . . . . . . . . . . . . . 44.3 p90 -65.61 -25.89 67.59 Favored 'General case' 0 C--N 1.323 -0.578 0 N-CA-C 112.573 0.583 . . . . 0.0 112.573 -174.966 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 6' ' ' MET . . . . . . . . . . . . . 56.3 ttp -90.21 -4.03 57.47 Favored 'General case' 0 C--N 1.316 -0.865 0 CA-C-O 122.646 1.212 . . . . 0.0 109.71 179.505 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 7' ' ' TRP . . . . . . . . . . . . . 13.7 m0 -96.08 -176.81 3.8 Favored 'General case' 0 C--N 1.292 -1.916 0 CA-C-N 114.539 -1.21 . . . . 0.0 109.077 -178.697 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 8' ' ' THR . . . . . 0.544 ' HA ' ' HA ' ' A' ' 24' ' ' TRP . 38.3 p -132.11 154.65 49.26 Favored 'General case' 0 C--N 1.298 -1.672 0 N-CA-C 108.18 -1.045 . . . . 0.0 108.18 -178.219 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 9' ' ' CYS . . . . . 0.414 ' HB2' ' O ' ' A' ' 13' ' ' ARG . 26.6 p -128.18 176.75 7.42 Favored 'General case' 0 C--O 1.249 1.073 0 C-N-CA 117.319 -1.752 . . . . 0.0 112.494 -179.76 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 14.1 m-20 -148.52 -166.98 2.69 Favored 'General case' 0 C--N 1.309 -1.164 0 N-CA-C 106.815 -1.55 . . . . 0.0 106.815 -177.762 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 12.6 t -74.85 -36.84 62.33 Favored 'General case' 0 N--CA 1.426 -1.672 0 N-CA-C 107.414 -1.328 . . . . 0.0 107.414 174.587 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 46.1 mt-10 -73.93 -57.01 4.26 Favored 'General case' 0 N--CA 1.451 -0.4 0 CA-C-N 115.825 -0.625 . . . . 0.0 111.019 177.53 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 13' ' ' ARG . . . . . 0.414 ' O ' ' HB2' ' A' ' 9' ' ' CYS . 70.9 mtm180 -76.47 112.0 12.53 Favored 'General case' 0 C--N 1.324 -0.531 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.178 -178.903 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 14' ' ' LYS . . . . . 0.499 ' O ' ' HG2' ' A' ' 3' ' ' GLN . 75.1 mmtt -87.05 141.32 28.75 Favored 'General case' 0 CA--C 1.492 -1.262 0 CA-C-O 121.219 0.533 . . . . 0.0 110.659 -177.03 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 22.5 t -94.05 160.05 14.89 Favored 'General case' 0 C--N 1.27 -2.854 0 CA-C-N 115.188 -0.915 . . . . 0.0 109.133 -176.747 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 16' ' ' CYS . . . . . 0.437 ' HB2' ' SD ' ' A' ' 19' ' ' MET . 79.1 m -70.75 153.98 42.27 Favored 'General case' 0 C--O 1.254 1.312 0 CA-C-O 121.561 0.696 . . . . 0.0 112.178 -177.635 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 27.2 ttpp -66.83 137.59 56.71 Favored 'General case' 0 C--O 1.247 0.937 0 N-CA-C 108.688 -0.856 . . . . 0.0 108.688 177.445 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 95.98 5.87 59.45 Favored Glycine 0 N--CA 1.432 -1.623 0 N-CA-C 109.88 -1.288 . . . . 0.0 109.88 -176.26 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 19' ' ' MET . . . . . 0.437 ' SD ' ' HB2' ' A' ' 16' ' ' CYS . 52.6 mtt -125.35 160.7 28.71 Favored 'General case' 0 N--CA 1.432 -1.372 0 N-CA-C 109.624 -0.51 . . . . 0.0 109.624 176.323 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 20' ' ' VAL . . . . . 0.461 ' HB ' ' HB3' ' A' ' 26' ' ' LYS . 77.0 t -106.91 125.8 62.92 Favored 'Isoleucine or valine' 0 C--N 1.278 -2.521 0 N-CA-C 106.684 -1.599 . . . . 0.0 106.684 178.78 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 18.8 t -81.59 131.97 35.29 Favored 'General case' 0 C--N 1.304 -1.406 0 C-N-CA 120.519 -0.472 . . . . 0.0 109.737 -177.414 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 22' ' ' ARG . . . . . 0.456 ' HG3' ' H ' ' A' ' 23' ' ' LEU . 16.2 tpp180 -158.18 -169.84 2.93 Favored 'General case' 0 C--O 1.278 2.558 0 N-CA-C 105.377 -2.083 . . . . 0.0 105.377 -177.523 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 23' ' ' LEU . . . . . 0.533 ' O ' ' HB ' ' A' ' 8' ' ' THR . 92.3 mt -52.01 -29.39 20.67 Favored 'General case' 0 N--CA 1.471 0.594 0 CA-C-O 121.052 0.454 . . . . 0.0 110.134 174.817 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 24' ' ' TRP . . . . . 0.544 ' HA ' ' HA ' ' A' ' 8' ' ' THR . 27.3 p90 -130.88 167.84 18.28 Favored 'General case' 0 N--CA 1.427 -1.588 0 N-CA-C 106.106 -1.813 . . . . 0.0 106.106 173.252 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 34.3 m -86.88 127.81 35.05 Favored 'General case' 0 C--N 1.3 -1.544 0 C-N-CA 119.159 -1.017 . . . . 0.0 111.438 176.025 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 26' ' ' LYS . . . . . 0.461 ' HB3' ' HB ' ' A' ' 20' ' ' VAL . 84.9 tttt -109.19 151.41 26.52 Favored 'General case' 0 C--N 1.294 -1.834 0 N-CA-C 107.098 -1.445 . . . . 0.0 107.098 -178.292 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 92.4 mttt -83.56 145.89 28.63 Favored 'General case' 0 C--N 1.29 -2.005 0 N-CA-C 109.578 -0.527 . . . . 0.0 109.578 179.893 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 26.4 tptp -88.05 106.6 18.26 Favored 'General case' 0 C--N 1.304 -1.391 0 N-CA-C 106.034 -1.839 . . . . 0.0 106.034 177.1 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 5.1 mp -78.0 -48.01 17.17 Favored 'General case' 0 C--N 1.304 -1.412 0 N-CA-C 109.397 -0.594 . . . . 0.0 109.397 -178.414 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 30' ' ' TRP . . . . . . . . . . . . . 18.3 m-90 . . . . . 0 C--N 1.307 -1.252 0 N-CA-C 107.868 -1.16 . . . . 0.0 107.868 179.08 . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 1' ' ' TYR . . . . . . . . . . . . . 61.6 t80 . . . . . 0 CA--C 1.504 -0.813 0 N-CA-C 108.041 -1.096 . . . . 0.0 108.041 . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 2' ' ' CYS . . . . . . . . . . . . . 22.4 t -84.76 141.44 30.52 Favored 'General case' 0 N--CA 1.418 -2.062 0 N-CA-C 104.925 -2.25 . . . . 0.0 104.925 171.917 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 13.5 mm100 -99.87 142.04 31.88 Favored 'General case' 0 C--N 1.273 -2.733 0 C-N-CA 119.941 -0.704 . . . . 0.0 111.515 -172.496 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 94.3 mttt -94.36 168.8 10.66 Favored 'General case' 0 C--N 1.307 -1.25 0 CA-C-N 114.882 -1.054 . . . . 0.0 108.388 179.254 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 5' ' ' TRP . . . . . . . . . . . . . 29.7 p-90 -62.57 -24.06 67.34 Favored 'General case' 0 N--CA 1.484 1.234 0 CA-C-O 121.834 0.826 . . . . 0.0 109.78 179.318 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 6' ' ' MET . . . . . . . . . . . . . 49.1 ttm -78.74 -24.66 44.68 Favored 'General case' 0 N--CA 1.425 -1.717 0 CA-C-N 114.22 -1.355 . . . . 0.0 111.013 -175.621 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 7' ' ' TRP . . . . . . . . . . . . . 38.5 m0 -94.46 174.77 6.96 Favored 'General case' 0 C--N 1.304 -1.411 0 CA-C-N 116.013 -0.54 . . . . 0.0 110.325 -178.11 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 8' ' ' THR . . . . . 0.491 ' HA ' ' HA ' ' A' ' 24' ' ' TRP . 75.1 p -122.17 173.94 7.27 Favored 'General case' 0 C--N 1.29 -2.018 0 N-CA-C 108.905 -0.776 . . . . 0.0 108.905 -176.185 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 9' ' ' CYS . . . . . 0.69 ' HB3' ' SG ' ' A' ' 15' ' ' CYS . 11.4 p -120.51 169.21 10.56 Favored 'General case' 0 C--O 1.251 1.141 0 C-N-CA 117.093 -1.843 . . . . 0.0 110.406 174.602 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 24.4 m-20 -137.42 -152.54 0.44 Allowed 'General case' 0 C--N 1.31 -1.114 0 N-CA-C 104.704 -2.332 . . . . 0.0 104.704 178.964 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 50.4 m -78.52 -38.02 41.65 Favored 'General case' 0 C--N 1.312 -1.057 0 C-N-CA 119.569 -0.852 . . . . 0.0 110.263 174.083 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 2.5 mp0 -87.13 -55.7 3.7 Favored 'General case' 0 C--O 1.233 0.223 0 C-N-CA 120.665 -0.414 . . . . 0.0 112.053 -178.987 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 13' ' ' ARG . . . . . 0.543 ' O ' ' HB2' ' A' ' 9' ' ' CYS . 57.1 mtm180 -71.18 111.59 6.65 Favored 'General case' 0 CA--C 1.505 -0.752 0 N-CA-C 108.153 -1.054 . . . . 0.0 108.153 175.035 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 23.0 pttp -106.2 148.3 28.06 Favored 'General case' 0 C--N 1.298 -1.631 0 N-CA-C 109.917 -0.401 . . . . 0.0 109.917 176.496 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 15' ' ' CYS . . . . . 0.69 ' SG ' ' HB3' ' A' ' 9' ' ' CYS . 61.2 m -75.52 147.72 39.53 Favored 'General case' 0 C--N 1.307 -1.259 0 N-CA-C 109.096 -0.705 . . . . 0.0 109.096 178.671 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 74.2 m -72.18 162.18 29.83 Favored 'General case' 0 C--N 1.306 -1.299 0 CA-C-O 120.635 0.255 . . . . 0.0 111.566 -178.221 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 65.1 tttm -62.08 131.7 50.41 Favored 'General case' 0 N--CA 1.442 -0.866 0 N-CA-C 109.387 -0.597 . . . . 0.0 109.387 179.229 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 112.29 -11.64 26.36 Favored Glycine 0 C--N 1.301 -1.389 0 N-CA-C 108.16 -1.976 . . . . 0.0 108.16 -171.622 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 19' ' ' MET . . . . . . . . . . . . . 65.0 mtt -134.11 157.36 46.37 Favored 'General case' 0 N--CA 1.429 -1.518 0 N-CA-C 106.803 -1.554 . . . . 0.0 106.803 175.569 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 29.3 m -108.53 141.7 23.09 Favored 'Isoleucine or valine' 0 C--N 1.279 -2.461 0 N-CA-C 108.764 -0.828 . . . . 0.0 108.764 174.001 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 21' ' ' CYS . . . . . 0.416 ' HA ' ' SG ' ' A' ' 15' ' ' CYS . 46.7 t -68.75 110.15 4.18 Favored 'General case' 0 N--CA 1.439 -0.996 0 N-CA-C 107.027 -1.471 . . . . 0.0 107.027 177.973 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 6.4 tpt180 -145.27 -169.92 3.31 Favored 'General case' 0 C--O 1.281 2.752 0 N-CA-C 108.228 -1.027 . . . . 0.0 108.228 -174.759 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 23' ' ' LEU . . . . . 0.438 ' O ' ' HB ' ' A' ' 8' ' ' THR . 82.7 mt -47.29 -45.55 24.28 Favored 'General case' 0 N--CA 1.483 1.217 0 C-N-CA 124.159 0.984 . . . . 0.0 108.975 179.263 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 24' ' ' TRP . . . . . 0.491 ' HA ' ' HA ' ' A' ' 8' ' ' THR . 37.2 p90 -131.76 159.59 38.02 Favored 'General case' 0 N--CA 1.416 -2.148 0 N-CA-C 104.804 -2.295 . . . . 0.0 104.804 170.481 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 93.4 m -66.98 112.59 4.42 Favored 'General case' 0 C--N 1.314 -0.977 0 CA-C-O 121.847 0.832 . . . . 0.0 110.392 -179.497 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 63.1 tttm -107.8 125.75 51.8 Favored 'General case' 0 N--CA 1.421 -1.917 0 CA-C-N 114.716 -1.129 . . . . 0.0 110.098 -172.571 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 33.5 mmtp -58.95 147.56 33.8 Favored 'General case' 0 CA--C 1.499 -0.987 0 CA-C-O 121.992 0.901 . . . . 0.0 112.163 179.008 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 59.7 tttp -79.81 133.69 36.3 Favored 'General case' 0 C--N 1.284 -2.267 0 N-CA-C 105.852 -1.907 . . . . 0.0 105.852 176.0 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 3.2 pp -58.77 -28.45 65.95 Favored 'General case' 0 C--N 1.315 -0.911 0 N-CA-C 113.538 0.94 . . . . 0.0 113.538 -175.488 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 30' ' ' TRP . . . . . . . . . . . . . 71.3 t-105 . . . . . 0 N--CA 1.434 -1.262 0 N-CA-C 107.076 -1.453 . . . . 0.0 107.076 176.448 . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 1' ' ' TYR . . . . . . . . . . . . . 82.2 t80 . . . . . 0 CA--C 1.534 0.343 0 N-CA-C 110.005 -0.369 . . . . 0.0 110.005 . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 2' ' ' CYS . . . . . . . . . . . . . 42.1 t -124.43 159.46 30.4 Favored 'General case' 0 C--N 1.311 -1.067 0 N-CA-C 108.192 -1.04 . . . . 0.0 108.192 -178.346 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 3' ' ' GLN . . . . . 0.408 ' HB2' ' HA ' ' A' ' 15' ' ' CYS . 12.4 mm100 -89.44 139.47 30.49 Favored 'General case' 0 C--N 1.308 -1.232 0 CA-C-O 121.144 0.497 . . . . 0.0 112.174 -176.598 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 4' ' ' LYS . . . . . 0.418 ' HE2' ' CH2' ' A' ' 7' ' ' TRP . 54.5 mttm -95.01 168.43 10.78 Favored 'General case' 0 C--N 1.31 -1.132 0 CA-C-N 114.684 -1.144 . . . . 0.0 108.255 179.461 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 5' ' ' TRP . . . . . . . . . . . . . 27.0 p-90 -63.66 -23.81 67.53 Favored 'General case' 0 N--CA 1.494 1.763 0 CA-C-O 121.755 0.788 . . . . 0.0 110.573 -178.889 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 6' ' ' MET . . . . . . . . . . . . . 52.0 ttp -78.09 -18.85 55.21 Favored 'General case' 0 N--CA 1.43 -1.469 0 CA-C-N 114.717 -1.129 . . . . 0.0 110.358 -178.875 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 7' ' ' TRP . . . . . 0.418 ' CH2' ' HE2' ' A' ' 4' ' ' LYS . 51.9 m0 -103.88 172.72 6.65 Favored 'General case' 0 C--N 1.302 -1.481 0 CA-C-N 115.405 -0.816 . . . . 0.0 109.771 -178.036 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 8' ' ' THR . . . . . 0.631 ' HB ' ' O ' ' A' ' 23' ' ' LEU . 73.1 p -110.98 169.93 8.44 Favored 'General case' 0 C--N 1.293 -1.859 0 N-CA-C 108.081 -1.081 . . . . 0.0 108.081 179.452 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 9' ' ' CYS . . . . . 0.424 ' SG ' ' HB2' ' A' ' 15' ' ' CYS . 26.4 p -133.6 177.01 8.03 Favored 'General case' 0 C--O 1.244 0.788 0 C-N-CA 117.281 -1.767 . . . . 0.0 112.088 178.672 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 4.9 m-20 -147.0 -164.7 2.06 Favored 'General case' 0 CA--C 1.498 -1.023 0 N-CA-C 108.385 -0.969 . . . . 0.0 108.385 -175.998 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 19.4 p -69.68 -43.16 73.07 Favored 'General case' 0 N--CA 1.433 -1.302 0 N-CA-C 109.825 -0.435 . . . . 0.0 109.825 176.645 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 42.3 mt-10 -89.82 -39.38 13.13 Favored 'General case' 0 N--CA 1.44 -0.966 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.774 -179.698 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 63.2 mtm180 -73.18 111.47 8.33 Favored 'General case' 0 C--O 1.237 0.397 0 C-N-CA 119.17 -1.012 . . . . 0.0 109.016 176.267 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 58.0 mtpt -85.02 127.0 34.01 Favored 'General case' 0 C--N 1.308 -1.238 0 CA-C-N 115.468 -0.787 . . . . 0.0 111.119 -173.406 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 15' ' ' CYS . . . . . 0.424 ' HB2' ' SG ' ' A' ' 9' ' ' CYS . 22.9 t -94.21 141.79 28.15 Favored 'General case' 0 C--N 1.3 -1.581 0 N-CA-C 107.898 -1.149 . . . . 0.0 107.898 177.684 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 80.7 m -69.6 142.81 53.46 Favored 'General case' 0 C--N 1.293 -1.873 0 CA-C-O 121.246 0.546 . . . . 0.0 111.629 -175.871 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 57.4 mttp -64.1 140.39 58.86 Favored 'General case' 0 CA--C 1.507 -0.677 0 N-CA-C 109.469 -0.567 . . . . 0.0 109.469 176.91 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 112.46 -13.03 25.64 Favored Glycine 0 C--N 1.29 -1.976 0 N-CA-C 107.813 -2.115 . . . . 0.0 107.813 -171.081 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 19' ' ' MET . . . . . 0.422 ' HG2' ' HA ' ' A' ' 27' ' ' LYS . 60.4 mtm -127.37 162.99 25.0 Favored 'General case' 0 N--CA 1.423 -1.787 0 CA-C-N 113.481 -1.359 . . . . 0.0 108.129 174.076 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 57.8 t -105.85 128.68 59.9 Favored 'Isoleucine or valine' 0 C--N 1.289 -2.065 0 N-CA-C 106.832 -1.544 . . . . 0.0 106.832 179.492 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 32.8 t -87.04 131.35 34.13 Favored 'General case' 0 N--CA 1.428 -1.532 0 N-CA-C 109.339 -0.615 . . . . 0.0 109.339 -176.992 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 22' ' ' ARG . . . . . 0.416 ' HG3' ' H ' ' A' ' 23' ' ' LEU . 12.7 tpt180 -169.21 -156.02 0.15 Allowed 'General case' 0 C--O 1.284 2.88 0 N-CA-C 105.952 -1.87 . . . . 0.0 105.952 179.792 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 23' ' ' LEU . . . . . 0.631 ' O ' ' HB ' ' A' ' 8' ' ' THR . 6.7 tt -48.44 -37.0 16.06 Favored 'General case' 0 C--O 1.212 -0.912 0 C-N-CA 124.043 0.937 . . . . 0.0 109.05 177.597 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 24' ' ' TRP . . . . . . . . . . . . . 21.6 p90 -135.07 165.88 24.34 Favored 'General case' 0 N--CA 1.434 -1.245 0 N-CA-C 107.232 -1.396 . . . . 0.0 107.232 173.829 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 55.4 m -85.67 113.31 21.77 Favored 'General case' 0 C--N 1.315 -0.906 0 CA-C-N 118.197 0.453 . . . . 0.0 109.907 174.857 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 62.3 tttp -99.22 118.16 35.29 Favored 'General case' 0 C--N 1.305 -1.369 0 N-CA-C 108.834 -0.802 . . . . 0.0 108.834 -177.855 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 27' ' ' LYS . . . . . 0.422 ' HA ' ' HG2' ' A' ' 19' ' ' MET . 59.7 pttt -85.02 148.02 26.39 Favored 'General case' 0 C--N 1.302 -1.465 0 N-CA-C 112.973 0.731 . . . . 0.0 112.973 -176.055 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 74.0 mmtt -73.21 148.39 43.79 Favored 'General case' 0 N--CA 1.441 -0.886 0 CA-C-N 114.982 -1.008 . . . . 0.0 109.8 176.635 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 90.8 mt -103.56 1.05 31.69 Favored 'General case' 0 C--N 1.299 -1.601 0 CA-C-N 115.757 -0.656 . . . . 0.0 109.797 -179.584 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 30' ' ' TRP . . . . . . . . . . . . . 84.5 m95 . . . . . 0 CA--C 1.513 -0.454 0 C-N-CA 124.966 1.307 . . . . 0.0 111.018 178.247 . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 1' ' ' TYR . . . . . . . . . . . . . 84.6 m-85 . . . . . 0 CA--C 1.509 -0.619 0 N-CA-C 109.486 -0.561 . . . . 0.0 109.486 . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 2' ' ' CYS . . . . . . . . . . . . . 41.9 t -145.19 160.02 42.11 Favored 'General case' 0 C--N 1.292 -1.929 0 N-CA-C 105.115 -2.18 . . . . 0.0 105.115 177.538 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 3' ' ' GLN . . . . . 0.484 ' HB2' ' HA ' ' A' ' 15' ' ' CYS . 11.3 mm100 -83.96 132.11 34.78 Favored 'General case' 0 C--N 1.298 -1.656 0 C-N-CA 119.654 -0.818 . . . . 0.0 111.767 -173.937 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 49.6 mtmt -90.88 172.52 8.55 Favored 'General case' 0 C--N 1.31 -1.126 0 CA-C-N 115.086 -0.961 . . . . 0.0 109.12 178.736 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 5' ' ' TRP . . . . . . . . . . . . . 47.9 p90 -67.04 -24.27 65.97 Favored 'General case' 0 C--N 1.315 -0.921 0 C-N-CA 123.127 0.571 . . . . 0.0 112.326 -176.836 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 6' ' ' MET . . . . . . . . . . . . . 58.6 ttp -82.33 -21.52 35.98 Favored 'General case' 0 C--N 1.323 -0.55 0 CA-C-O 122.255 1.026 . . . . 0.0 108.977 178.583 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 7' ' ' TRP . . . . . . . . . . . . . 46.2 m0 -87.93 174.59 8.23 Favored 'General case' 0 C--N 1.288 -2.086 0 CA-C-N 114.268 -1.333 . . . . 0.0 109.602 -179.248 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 8' ' ' THR . . . . . 0.508 ' HA ' ' HA ' ' A' ' 24' ' ' TRP . 71.9 p -125.95 167.61 15.05 Favored 'General case' 0 C--N 1.276 -2.612 0 N-CA-C 107.146 -1.427 . . . . 0.0 107.146 -176.417 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 9' ' ' CYS . . . . . 0.637 ' HB2' ' O ' ' A' ' 13' ' ' ARG . 20.2 p -120.05 175.49 5.9 Favored 'General case' 0 N--CA 1.435 -1.195 0 C-N-CA 116.539 -2.064 . . . . 0.0 110.789 178.984 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 30.0 m-20 -136.81 -165.72 1.78 Allowed 'General case' 0 C--N 1.309 -1.153 0 N-CA-C 106.44 -1.689 . . . . 0.0 106.44 -179.116 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 1.8 p -75.03 -35.23 61.93 Favored 'General case' 0 C--N 1.286 -2.184 0 CA-C-O 121.589 0.709 . . . . 0.0 109.576 173.102 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 9.3 pt-20 -84.84 -40.74 16.78 Favored 'General case' 0 C--N 1.32 -0.699 0 CA-C-N 115.426 -0.807 . . . . 0.0 111.443 179.473 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 13' ' ' ARG . . . . . 0.637 ' O ' ' HB2' ' A' ' 9' ' ' CYS . 83.6 mtm180 -98.89 115.83 29.76 Favored 'General case' 0 C--O 1.206 -1.223 0 N-CA-C 109.181 -0.674 . . . . 0.0 109.181 -179.844 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 38.4 mtmm -105.64 152.34 23.25 Favored 'General case' 0 C--N 1.298 -1.652 0 CA-C-O 120.754 0.311 . . . . 0.0 110.558 179.213 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 15' ' ' CYS . . . . . 0.577 ' SG ' ' HA ' ' A' ' 21' ' ' CYS . 55.7 m -75.29 153.66 37.81 Favored 'General case' 0 C--N 1.312 -1.034 0 N-CA-C 109.081 -0.711 . . . . 0.0 109.081 178.736 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 41.1 m -64.16 162.36 14.57 Favored 'General case' 0 C--O 1.25 1.091 0 CA-C-O 120.903 0.383 . . . . 0.0 111.433 -178.022 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 29.8 mtpp -63.98 126.47 27.78 Favored 'General case' 0 C--N 1.324 -0.51 0 N-CA-C 109.382 -0.599 . . . . 0.0 109.382 176.768 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 112.16 -7.22 27.03 Favored Glycine 0 C--N 1.306 -1.1 0 N-CA-C 109.833 -1.307 . . . . 0.0 109.833 -174.001 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 19' ' ' MET . . . . . . . . . . . . . 66.6 mtt -126.33 158.66 35.27 Favored 'General case' 0 C--N 1.308 -1.209 0 N-CA-C 108.236 -1.024 . . . . 0.0 108.236 176.46 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 11.2 p -107.02 135.78 44.33 Favored 'Isoleucine or valine' 0 C--N 1.29 -1.999 0 N-CA-C 108.359 -0.978 . . . . 0.0 108.359 175.661 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 21' ' ' CYS . . . . . 0.577 ' HA ' ' SG ' ' A' ' 15' ' ' CYS . 49.8 t -76.46 113.86 14.54 Favored 'General case' 0 N--CA 1.431 -1.408 0 N-CA-C 107.771 -1.196 . . . . 0.0 107.771 178.829 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 22' ' ' ARG . . . . . 0.481 ' HG3' ' H ' ' A' ' 23' ' ' LEU . 1.1 tpm_? -144.1 -169.41 3.11 Favored 'General case' 0 C--O 1.276 2.483 0 N-CA-C 107.043 -1.466 . . . . 0.0 107.043 -177.55 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 23' ' ' LEU . . . . . 0.481 ' H ' ' HG3' ' A' ' 22' ' ' ARG . 85.2 mt -55.52 -19.95 11.45 Favored 'General case' 0 C--O 1.219 -0.508 0 C-N-CA 123.866 0.867 . . . . 0.0 110.722 175.825 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 24' ' ' TRP . . . . . 0.508 ' HA ' ' HA ' ' A' ' 8' ' ' THR . 18.0 p90 -145.13 162.33 37.3 Favored 'General case' 0 N--CA 1.419 -2.004 0 N-CA-C 105.244 -2.132 . . . . 0.0 105.244 170.079 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 93.9 m -81.83 112.93 19.42 Favored 'General case' 0 C--N 1.303 -1.419 0 CA-C-N 119.058 0.845 . . . . 0.0 110.659 177.923 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 86.7 tttt -107.22 133.83 51.22 Favored 'General case' 0 C--N 1.294 -1.836 0 CA-C-N 115.059 -0.973 . . . . 0.0 109.342 -174.759 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 61.0 pttt -74.64 148.31 40.79 Favored 'General case' 0 C--N 1.301 -1.509 0 CA-C-O 120.928 0.394 . . . . 0.0 110.649 179.954 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 3.7 tppp? -90.45 125.79 35.69 Favored 'General case' 0 C--N 1.296 -1.756 0 N-CA-C 107.432 -1.321 . . . . 0.0 107.432 177.786 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 3.1 mm? -85.06 -32.59 22.78 Favored 'General case' 0 C--N 1.311 -1.067 0 CA-C-O 121.029 0.442 . . . . 0.0 110.413 -176.945 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 30' ' ' TRP . . . . . . . . . . . . . 91.7 m95 . . . . . 0 C--N 1.307 -1.251 0 CA-C-N 115.663 -0.699 . . . . 0.0 109.12 179.945 . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 1' ' ' TYR . . . . . . . . . . . . . 97.9 m-85 . . . . . 0 CA--C 1.514 -0.435 0 CA-C-O 120.891 0.377 . . . . 0.0 110.695 . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 2' ' ' CYS . . . . . . . . . . . . . 52.7 t -134.62 161.34 35.37 Favored 'General case' 0 C--N 1.308 -1.239 0 N-CA-C 109.439 -0.578 . . . . 0.0 109.439 -174.67 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 3' ' ' GLN . . . . . 0.404 ' HB2' ' HA ' ' A' ' 15' ' ' CYS . 15.1 mm100 -109.0 133.66 52.69 Favored 'General case' 0 C--N 1.311 -1.091 0 N-CA-C 108.316 -0.994 . . . . 0.0 108.316 177.548 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 98.5 mttt -91.11 163.16 14.38 Favored 'General case' 0 C--N 1.299 -1.598 0 CA-C-O 121.001 0.429 . . . . 0.0 110.102 178.094 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 5' ' ' TRP . . . . . . . . . . . . . 42.7 p90 -62.59 -26.03 68.39 Favored 'General case' 0 C--N 1.306 -1.297 0 C-N-CA 124.628 1.171 . . . . 0.0 110.648 178.264 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 6' ' ' MET . . . . . 0.532 ' HG3' ' CD1' ' A' ' 7' ' ' TRP . 26.2 ptm -78.27 -10.15 59.54 Favored 'General case' 0 C--N 1.321 -0.662 0 CA-C-N 115.272 -0.876 . . . . 0.0 110.459 179.812 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 7' ' ' TRP . . . . . 0.532 ' CD1' ' HG3' ' A' ' 6' ' ' MET . 40.7 m0 -108.6 -172.18 2.0 Favored 'General case' 0 N--CA 1.437 -1.1 0 N-CA-C 108.425 -0.954 . . . . 0.0 108.425 179.869 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 8' ' ' THR . . . . . 0.64 ' HB ' ' O ' ' A' ' 23' ' ' LEU . 70.7 p -124.68 172.79 9.0 Favored 'General case' 0 C--N 1.291 -1.943 0 N-CA-C 108.882 -0.784 . . . . 0.0 108.882 -176.748 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 9' ' ' CYS . . . . . 0.659 ' SG ' ' HB2' ' A' ' 15' ' ' CYS . 29.9 p -140.64 179.31 6.76 Favored 'General case' 0 C--O 1.251 1.134 0 C-N-CA 118.381 -1.328 . . . . 0.0 111.441 175.697 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 10' ' ' ASP . . . . . 0.464 ' CG ' ' H ' ' A' ' 11' ' ' SER . 29.8 t70 -159.46 -159.96 0.79 Allowed 'General case' 0 C--N 1.313 -0.998 0 N-CA-C 106.899 -1.519 . . . . 0.0 106.899 -176.631 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 11' ' ' SER . . . . . 0.464 ' H ' ' CG ' ' A' ' 10' ' ' ASP . 14.7 m -80.03 -30.06 39.42 Favored 'General case' 0 N--CA 1.425 -1.699 0 N-CA-C 109.047 -0.723 . . . . 0.0 109.047 177.459 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 11.8 pt-20 -79.17 -46.29 18.22 Favored 'General case' 0 CA--C 1.536 0.409 0 CA-C-N 115.978 -0.556 . . . . 0.0 110.766 178.694 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 13' ' ' ARG . . . . . 0.539 ' O ' ' HB2' ' A' ' 9' ' ' CYS . 5.5 mmp_? -99.1 111.82 24.11 Favored 'General case' 0 CA--C 1.486 -1.519 0 N-CA-C 109.357 -0.608 . . . . 0.0 109.357 174.056 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 34.2 mmtp -89.5 137.13 32.59 Favored 'General case' 0 C--N 1.278 -2.518 0 CA-C-O 121.198 0.523 . . . . 0.0 109.961 178.665 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 15' ' ' CYS . . . . . 0.659 ' HB2' ' SG ' ' A' ' 9' ' ' CYS . 8.9 t -83.46 154.6 23.84 Favored 'General case' 0 C--N 1.288 -2.102 0 CA-C-N 115.201 -0.909 . . . . 0.0 108.595 -179.368 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 55.8 m -84.02 157.98 21.64 Favored 'General case' 0 C--N 1.289 -2.047 0 CA-C-O 121.123 0.487 . . . . 0.0 111.487 -175.227 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 53.9 mtmt -63.77 142.43 58.41 Favored 'General case' 0 N--CA 1.438 -1.029 0 CA-C-N 115.27 -0.877 . . . . 0.0 109.903 179.652 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 112.16 -21.92 19.14 Favored Glycine 0 C--N 1.3 -1.454 0 N-CA-C 108.246 -1.941 . . . . 0.0 108.246 -173.419 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 19' ' ' MET . . . . . 0.425 ' HG3' ' HA ' ' A' ' 27' ' ' LYS . 4.4 mpp? -123.67 168.17 13.02 Favored 'General case' 0 N--CA 1.425 -1.676 0 N-CA-C 108.644 -0.873 . . . . 0.0 108.644 175.213 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 45.1 t -106.25 131.79 55.03 Favored 'Isoleucine or valine' 0 C--N 1.287 -2.13 0 N-CA-C 105.87 -1.9 . . . . 0.0 105.87 176.341 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 10.0 t -79.47 135.15 36.58 Favored 'General case' 0 N--CA 1.426 -1.641 0 N-CA-C 108.174 -1.047 . . . . 0.0 108.174 179.922 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 22' ' ' ARG . . . . . 0.447 ' HG3' ' H ' ' A' ' 23' ' ' LEU . 25.2 tpt180 -166.81 -172.17 2.03 Favored 'General case' 0 N--CA 1.417 -2.081 0 N-CA-C 105.5 -2.037 . . . . 0.0 105.5 -174.995 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 23' ' ' LEU . . . . . 0.64 ' O ' ' HB ' ' A' ' 8' ' ' THR . 65.7 tp -48.55 -30.31 5.15 Favored 'General case' 0 C--O 1.215 -0.758 0 C-N-CA 123.521 0.728 . . . . 0.0 110.399 174.837 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 24' ' ' TRP . . . . . 0.471 ' HA ' ' HA ' ' A' ' 8' ' ' THR . 29.2 p90 -135.9 161.41 35.7 Favored 'General case' 0 N--CA 1.434 -1.267 0 N-CA-C 106.684 -1.599 . . . . 0.0 106.684 173.389 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 53.6 m -80.5 112.77 18.16 Favored 'General case' 0 C--N 1.312 -1.033 0 C-N-CA 119.647 -0.821 . . . . 0.0 110.411 176.65 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 40.5 ttmt -95.68 122.95 38.98 Favored 'General case' 0 C--N 1.302 -1.487 0 CA-C-N 115.508 -0.769 . . . . 0.0 109.591 -177.892 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 27' ' ' LYS . . . . . 0.425 ' HA ' ' HG3' ' A' ' 19' ' ' MET . 27.9 mtpp -67.65 134.08 50.51 Favored 'General case' 0 CA--C 1.501 -0.938 0 N-CA-C 109.659 -0.497 . . . . 0.0 109.659 177.521 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 58.3 tttm -109.26 89.2 2.93 Favored 'General case' 0 C--N 1.293 -1.884 0 N-CA-C 109.126 -0.694 . . . . 0.0 109.126 -178.585 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 43.5 tp -97.01 -19.04 19.03 Favored 'General case' 0 C--N 1.295 -1.776 0 N-CA-C 108.288 -1.005 . . . . 0.0 108.288 178.594 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 30' ' ' TRP . . . . . . . . . . . . . 41.3 t-105 . . . . . 0 N--CA 1.432 -1.367 0 N-CA-C 107.638 -1.245 . . . . 0.0 107.638 178.659 . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 1' ' ' TYR . . . . . . . . . . . . . 87.7 m-85 . . . . . 0 CA--C 1.506 -0.747 0 N-CA-C 108.785 -0.82 . . . . 0.0 108.785 . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 2' ' ' CYS . . . . . . . . . . . . . 26.2 p -82.27 155.52 24.81 Favored 'General case' 0 N--CA 1.426 -1.633 0 N-CA-C 108.591 -0.892 . . . . 0.0 108.591 175.865 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 3' ' ' GLN . . . . . 0.409 ' HB2' ' HA ' ' A' ' 15' ' ' CYS . 14.9 mm100 -82.89 131.68 35.18 Favored 'General case' 0 C--N 1.294 -1.846 0 CA-C-O 120.922 0.392 . . . . 0.0 110.326 -177.268 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 94.9 mttt -87.67 167.1 14.17 Favored 'General case' 0 C--N 1.298 -1.663 0 CA-C-N 114.902 -1.045 . . . . 0.0 109.609 -177.788 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 5' ' ' TRP . . . . . . . . . . . . . 4.3 p-90 -57.11 -31.44 65.29 Favored 'General case' 0 C--N 1.318 -0.78 0 C-N-CA 123.925 0.89 . . . . 0.0 113.29 -175.363 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 6' ' ' MET . . . . . . . . . . . . . 61.9 ttp -76.55 -25.83 54.47 Favored 'General case' 0 C--N 1.329 -0.316 0 C-N-CA 119.872 -0.731 . . . . 0.0 110.311 -179.897 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 7' ' ' TRP . . . . . . . . . . . . . 49.6 m0 -87.83 -177.84 5.9 Favored 'General case' 0 C--N 1.291 -1.955 0 CA-C-N 115.396 -0.82 . . . . 0.0 109.685 -177.326 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 8' ' ' THR . . . . . 0.571 ' HB ' ' O ' ' A' ' 23' ' ' LEU . 75.4 p -118.06 160.03 22.21 Favored 'General case' 0 C--N 1.29 -1.981 0 N-CA-C 108.378 -0.971 . . . . 0.0 108.378 -179.876 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 9' ' ' CYS . . . . . 0.451 ' HB2' ' O ' ' A' ' 13' ' ' ARG . 26.6 p -123.46 172.08 8.99 Favored 'General case' 0 N--CA 1.437 -1.091 0 C-N-CA 117.857 -1.537 . . . . 0.0 110.122 175.504 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 10' ' ' ASP . . . . . 0.403 ' CG ' ' H ' ' A' ' 11' ' ' SER . 15.3 t70 -154.17 -163.93 1.73 Allowed 'General case' 0 C--N 1.305 -1.355 0 N-CA-C 106.657 -1.609 . . . . 0.0 106.657 -174.967 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 11' ' ' SER . . . . . 0.403 ' H ' ' CG ' ' A' ' 10' ' ' ASP . 33.1 t -74.96 -32.92 61.84 Favored 'General case' 0 C--N 1.297 -1.687 0 N-CA-C 109.073 -0.714 . . . . 0.0 109.073 179.913 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 41.4 mt-10 -88.24 -32.1 18.7 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-O 121.445 0.64 . . . . 0.0 110.299 179.568 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 13' ' ' ARG . . . . . 0.451 ' O ' ' HB2' ' A' ' 9' ' ' CYS . 59.6 mtm180 -98.88 111.45 23.84 Favored 'General case' 0 C--N 1.308 -1.202 0 CA-C-N 115.752 -0.658 . . . . 0.0 109.891 -177.644 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 55.4 pttt -92.36 131.28 37.67 Favored 'General case' 0 C--N 1.304 -1.397 0 CA-C-O 120.857 0.36 . . . . 0.0 110.677 -177.376 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 15' ' ' CYS . . . . . 0.43 ' HB2' ' SG ' ' A' ' 9' ' ' CYS . 9.1 t -81.97 153.02 26.46 Favored 'General case' 0 C--N 1.304 -1.406 0 CA-C-N 116.063 -0.517 . . . . 0.0 109.826 -176.38 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 16' ' ' CYS . . . . . 0.461 ' HB2' ' SD ' ' A' ' 19' ' ' MET . 82.8 m -62.93 145.31 55.55 Favored 'General case' 0 C--N 1.315 -0.901 0 CA-C-O 121.663 0.744 . . . . 0.0 112.134 -177.862 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 66.5 mttm -71.89 130.28 40.64 Favored 'General case' 0 C--N 1.304 -1.4 0 CA-C-N 115.239 -0.891 . . . . 0.0 109.015 177.557 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 107.14 -3.71 35.39 Favored Glycine 0 N--CA 1.439 -1.134 0 N-CA-C 109.409 -1.476 . . . . 0.0 109.409 -172.644 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 19' ' ' MET . . . . . 0.461 ' SD ' ' HB2' ' A' ' 16' ' ' CYS . 65.3 mtt -121.59 170.58 9.55 Favored 'General case' 0 C--N 1.312 -1.058 0 N-CA-C 108.606 -0.887 . . . . 0.0 108.606 177.842 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 98.6 t -107.13 126.82 63.21 Favored 'Isoleucine or valine' 0 C--N 1.3 -1.552 0 N-CA-C 108.302 -0.999 . . . . 0.0 108.302 177.836 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 18.4 t -90.97 130.26 36.91 Favored 'General case' 0 N--CA 1.434 -1.264 0 N-CA-C 109.0 -0.741 . . . . 0.0 109.0 -179.541 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 22' ' ' ARG . . . . . 0.49 ' HG2' ' H ' ' A' ' 23' ' ' LEU . 30.2 ttm180 -166.37 -170.74 1.74 Allowed 'General case' 0 C--O 1.28 2.694 0 N-CA-C 106.557 -1.646 . . . . 0.0 106.557 -177.209 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 23' ' ' LEU . . . . . 0.571 ' O ' ' HB ' ' A' ' 8' ' ' THR . 62.5 tp -42.09 -43.14 3.15 Favored 'General case' 0 C--N 1.358 0.966 0 C-N-CA 123.869 0.868 . . . . 0.0 109.937 175.602 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 24' ' ' TRP . . . . . 0.474 ' HA ' ' HA ' ' A' ' 8' ' ' THR . 26.3 p90 -131.68 151.44 51.63 Favored 'General case' 0 N--CA 1.428 -1.56 0 N-CA-C 107.153 -1.425 . . . . 0.0 107.153 170.982 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 57.9 m -76.2 157.89 32.21 Favored 'General case' 0 C--N 1.318 -0.77 0 CA-C-O 121.153 0.501 . . . . 0.0 111.832 -179.177 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 63.8 tttm -150.58 156.89 42.26 Favored 'General case' 0 C--O 1.198 -1.643 0 N-CA-C 106.557 -1.646 . . . . 0.0 106.557 -177.494 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 23.9 tptm -80.02 148.01 31.29 Favored 'General case' 0 N--CA 1.413 -2.292 0 CA-C-N 119.34 0.973 . . . . 0.0 109.428 178.112 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 24.6 ttmm -93.51 112.97 24.99 Favored 'General case' 0 C--N 1.293 -1.862 0 N-CA-C 108.749 -0.834 . . . . 0.0 108.749 177.76 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 2.7 mm? -95.52 -31.77 13.17 Favored 'General case' 0 C--N 1.305 -1.36 0 N-CA-C 109.215 -0.661 . . . . 0.0 109.215 179.226 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 30' ' ' TRP . . . . . . . . . . . . . 93.4 m95 . . . . . 0 N--CA 1.428 -1.545 0 N-CA-C 107.669 -1.234 . . . . 0.0 107.669 -179.937 . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 1' ' ' TYR . . . . . . . . . . . . . 79.7 t80 . . . . . 0 C--O 1.236 0.343 0 N-CA-C 109.793 -0.447 . . . . 0.0 109.793 . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 2' ' ' CYS . . . . . . . . . . . . . 37.3 t -95.94 157.97 15.66 Favored 'General case' 0 C--N 1.308 -1.206 0 N-CA-C 109.671 -0.492 . . . . 0.0 109.671 -179.023 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 15.3 mm100 -95.4 151.48 19.24 Favored 'General case' 0 C--N 1.301 -1.531 0 CA-C-N 115.915 -0.584 . . . . 0.0 109.645 -179.932 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 47.5 mmtm -94.54 157.43 15.99 Favored 'General case' 0 C--N 1.295 -1.804 0 N-CA-C 107.726 -1.213 . . . . 0.0 107.726 173.883 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 5' ' ' TRP . . . . . . . . . . . . . 12.9 p-90 -61.34 -21.82 64.35 Favored 'General case' 0 C--N 1.307 -1.255 0 CA-C-O 121.413 0.625 . . . . 0.0 110.925 -179.621 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 6' ' ' MET . . . . . . . . . . . . . 26.6 ptt? -84.92 -6.95 59.34 Favored 'General case' 0 N--CA 1.437 -1.099 0 CA-C-N 115.557 -0.747 . . . . 0.0 111.235 -178.755 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 7' ' ' TRP . . . . . . . . . . . . . 54.6 m0 -100.3 -176.15 3.14 Favored 'General case' 0 C--O 1.244 0.796 0 CA-C-O 120.854 0.359 . . . . 0.0 110.142 -178.984 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 8' ' ' THR . . . . . 0.557 ' HB ' ' O ' ' A' ' 23' ' ' LEU . 71.8 p -129.97 178.65 6.38 Favored 'General case' 0 C--N 1.303 -1.434 0 N-CA-C 108.294 -1.002 . . . . 0.0 108.294 -176.576 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 9' ' ' CYS . . . . . 0.592 ' HB2' ' O ' ' A' ' 13' ' ' ARG . 23.3 p -134.9 170.72 15.44 Favored 'General case' 0 N--CA 1.445 -0.695 0 C-N-CA 117.947 -1.501 . . . . 0.0 110.909 173.996 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 14.7 t70 -158.78 -137.74 0.05 Allowed 'General case' 0 C--N 1.315 -0.908 0 N-CA-C 106.818 -1.549 . . . . 0.0 106.818 179.899 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 13.0 p -80.14 -45.07 18.8 Favored 'General case' 0 C--N 1.313 -0.991 0 CA-C-N 118.734 0.697 . . . . 0.0 112.454 -178.9 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 26.9 mm-40 -77.2 -51.16 11.43 Favored 'General case' 0 C--N 1.323 -0.56 0 CA-C-O 121.337 0.589 . . . . 0.0 110.302 179.963 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 13' ' ' ARG . . . . . 0.603 ' HA ' ' NE ' ' A' ' 13' ' ' ARG . 2.1 mmp_? -90.7 118.52 30.2 Favored 'General case' 0 C--N 1.298 -1.666 0 CA-C-N 115.79 -0.641 . . . . 0.0 110.788 -179.49 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 99.0 mttt -106.4 141.34 37.87 Favored 'General case' 0 C--N 1.297 -1.715 0 N-CA-C 108.996 -0.742 . . . . 0.0 108.996 173.808 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 15' ' ' CYS . . . . . 0.523 ' SG ' ' HB3' ' A' ' 9' ' ' CYS . 81.7 m -73.78 147.49 43.38 Favored 'General case' 0 C--N 1.32 -0.703 0 N-CA-C 108.841 -0.8 . . . . 0.0 108.841 176.572 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 56.5 m -74.54 157.77 34.92 Favored 'General case' 0 C--N 1.299 -1.604 0 CA-C-N 116.635 -0.257 . . . . 0.0 110.915 -178.053 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 40.1 ttmt -59.65 136.89 58.13 Favored 'General case' 0 C--N 1.323 -0.558 0 N-CA-C 108.93 -0.767 . . . . 0.0 108.93 178.094 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 107.2 -15.83 39.12 Favored Glycine 0 C--N 1.304 -1.234 0 N-CA-C 108.791 -1.723 . . . . 0.0 108.791 -173.015 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 19' ' ' MET . . . . . . . . . . . . . 73.0 mtm -125.2 165.78 17.66 Favored 'General case' 0 N--CA 1.429 -1.487 0 N-CA-C 107.587 -1.264 . . . . 0.0 107.587 174.093 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 11.2 t -106.17 135.73 43.36 Favored 'Isoleucine or valine' 0 C--N 1.288 -2.077 0 N-CA-C 106.679 -1.6 . . . . 0.0 106.679 178.951 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 38.6 t -87.49 104.43 16.46 Favored 'General case' 0 N--CA 1.423 -1.793 0 N-CA-C 107.835 -1.172 . . . . 0.0 107.835 178.819 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 96.3 mtt180 -135.71 -163.3 1.37 Allowed 'General case' 0 C--O 1.272 2.284 0 CA-C-N 114.896 -1.047 . . . . 0.0 109.194 -179.204 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 23' ' ' LEU . . . . . 0.557 ' O ' ' HB ' ' A' ' 8' ' ' THR . 54.7 tp -53.33 -27.15 21.8 Favored 'General case' 0 C--O 1.21 -1.01 0 CA-C-N 114.724 -1.126 . . . . 0.0 109.561 174.688 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 24' ' ' TRP . . . . . 0.46 ' HA ' ' HA ' ' A' ' 8' ' ' THR . 17.2 p90 -139.07 165.16 27.87 Favored 'General case' 0 N--CA 1.428 -1.567 0 N-CA-C 106.692 -1.596 . . . . 0.0 106.692 173.953 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 85.6 m -82.99 112.31 19.64 Favored 'General case' 0 C--N 1.318 -0.77 0 C-N-CA 119.527 -0.869 . . . . 0.0 108.882 175.601 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 59.9 tttm -96.4 119.99 35.89 Favored 'General case' 0 C--N 1.301 -1.511 0 N-CA-C 109.237 -0.653 . . . . 0.0 109.237 -177.962 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 22.7 pttp -80.72 133.06 35.62 Favored 'General case' 0 C--N 1.302 -1.482 0 CA-C-O 121.407 0.623 . . . . 0.0 110.714 179.751 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 96.1 mttt -95.39 157.74 15.76 Favored 'General case' 0 C--N 1.297 -1.686 0 CA-C-N 114.99 -1.005 . . . . 0.0 109.332 -178.884 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 3.8 pp -105.31 -24.73 12.64 Favored 'General case' 0 C--N 1.298 -1.658 0 N-CA-C 109.052 -0.722 . . . . 0.0 109.052 171.32 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 30' ' ' TRP . . . . . . . . . . . . . 75.8 t-105 . . . . . 0 CA--C 1.505 -0.774 0 N-CA-C 106.831 -1.544 . . . . 0.0 106.831 175.61 . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 1' ' ' TYR . . . . . . . . . . . . . 67.9 t80 . . . . . 0 C--O 1.238 0.454 0 N-CA-C 110.414 -0.217 . . . . 0.0 110.414 . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 2' ' ' CYS . . . . . . . . . . . . . 24.9 t -166.0 155.26 11.74 Favored 'General case' 0 N--CA 1.441 -0.899 0 N-CA-C 108.319 -0.993 . . . . 0.0 108.319 -178.816 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 15.0 mm100 -111.29 140.45 45.86 Favored 'General case' 0 C--N 1.301 -1.54 0 N-CA-C 108.082 -1.081 . . . . 0.0 108.082 178.615 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 67.2 mttm -94.72 164.39 12.97 Favored 'General case' 0 C--N 1.301 -1.514 0 N-CA-C 109.629 -0.508 . . . . 0.0 109.629 178.538 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 5' ' ' TRP . . . . . . . . . . . . . 32.7 p90 -69.26 -14.67 63.08 Favored 'General case' 0 N--CA 1.488 1.469 0 CA-C-O 122.499 1.143 . . . . 0.0 110.639 -179.826 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 6' ' ' MET . . . . . . . . . . . . . 22.1 ptp -92.82 1.34 57.34 Favored 'General case' 0 C--N 1.301 -1.542 0 CA-C-N 114.401 -1.272 . . . . 0.0 109.305 179.945 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 7' ' ' TRP . . . . . . . . . . . . . 52.4 m0 -116.57 -174.29 2.54 Favored 'General case' 0 C--O 1.246 0.875 0 N-CA-C 108.118 -1.068 . . . . 0.0 108.118 178.692 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 8' ' ' THR . . . . . 0.48 ' HA ' ' HA ' ' A' ' 24' ' ' TRP . 46.2 p -131.13 172.62 11.9 Favored 'General case' 0 C--N 1.298 -1.659 0 CA-C-O 118.963 -0.541 . . . . 0.0 109.562 -175.165 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 9' ' ' CYS . . . . . 0.584 ' HB2' ' O ' ' A' ' 13' ' ' ARG . 19.0 p -127.69 -179.77 5.11 Favored 'General case' 0 C--O 1.239 0.523 0 C-N-CA 116.495 -2.082 . . . . 0.0 111.725 177.331 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 6.5 m-20 -142.78 -161.64 1.28 Allowed 'General case' 0 C--N 1.315 -0.927 0 N-CA-C 106.532 -1.655 . . . . 0.0 106.532 -177.497 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 16.0 m -82.93 -32.45 27.18 Favored 'General case' 0 C--N 1.305 -1.36 0 N-CA-C 108.676 -0.861 . . . . 0.0 108.676 173.537 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 10.3 pt-20 -79.02 -44.15 22.83 Favored 'General case' 0 CA--C 1.535 0.368 0 CA-C-N 115.769 -0.651 . . . . 0.0 111.205 178.852 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 13' ' ' ARG . . . . . 0.584 ' O ' ' HB2' ' A' ' 9' ' ' CYS . 37.3 mtm180 -99.6 116.86 32.71 Favored 'General case' 0 CA--C 1.496 -1.134 0 N-CA-C 109.119 -0.697 . . . . 0.0 109.119 177.702 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 14.9 ptmm? -104.92 151.46 23.85 Favored 'General case' 0 C--N 1.293 -1.887 0 N-CA-C 108.825 -0.806 . . . . 0.0 108.825 177.289 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 15' ' ' CYS . . . . . 0.616 ' SG ' ' HA ' ' A' ' 21' ' ' CYS . 59.3 m -68.82 153.62 43.47 Favored 'General case' 0 C--N 1.307 -1.259 0 N-CA-C 108.251 -1.018 . . . . 0.0 108.251 175.241 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 81.0 m -75.86 161.61 28.84 Favored 'General case' 0 C--N 1.299 -1.602 0 N-CA-C 111.673 0.249 . . . . 0.0 111.673 -176.217 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 25.0 ttmm -58.83 121.49 11.26 Favored 'General case' 0 C--O 1.239 0.546 0 N-CA-C 109.738 -0.467 . . . . 0.0 109.738 -178.876 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 111.43 8.07 23.58 Favored Glycine 0 N--CA 1.439 -1.157 0 N-CA-C 110.03 -1.228 . . . . 0.0 110.03 -174.134 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 19' ' ' MET . . . . . . . . . . . . . 64.0 mtt -139.77 158.14 44.59 Favored 'General case' 0 C--N 1.315 -0.913 0 N-CA-C 107.79 -1.189 . . . . 0.0 107.79 176.856 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 8.2 p -106.5 134.65 47.49 Favored 'Isoleucine or valine' 0 C--N 1.291 -1.948 0 N-CA-C 108.202 -1.036 . . . . 0.0 108.202 175.339 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 21' ' ' CYS . . . . . 0.616 ' HA ' ' SG ' ' A' ' 15' ' ' CYS . 43.8 t -88.14 107.35 18.72 Favored 'General case' 0 C--N 1.309 -1.163 0 CA-C-N 116.005 -0.543 . . . . 0.0 110.404 -175.081 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 22' ' ' ARG . . . . . 0.434 ' HB3' ' H ' ' A' ' 23' ' ' LEU . 99.1 mtt180 -143.81 -157.37 0.77 Allowed 'General case' 0 C--O 1.288 3.083 0 CA-C-N 115.122 -0.945 . . . . 0.0 110.258 179.309 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 23' ' ' LEU . . . . . 0.479 ' O ' ' HB ' ' A' ' 8' ' ' THR . 61.2 tp -45.76 -42.12 11.6 Favored 'General case' 0 CA--C 1.508 -0.653 0 CA-C-N 114.873 -1.058 . . . . 0.0 109.279 176.02 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 24' ' ' TRP . . . . . 0.48 ' HA ' ' HA ' ' A' ' 8' ' ' THR . 35.6 p90 -132.35 166.12 22.68 Favored 'General case' 0 N--CA 1.421 -1.885 0 N-CA-C 108.225 -1.028 . . . . 0.0 108.225 172.13 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 78.3 m -83.76 113.28 20.79 Favored 'General case' 0 C--N 1.307 -1.274 0 CA-C-O 121.274 0.559 . . . . 0.0 109.977 177.358 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 83.6 tttt -105.38 120.5 41.73 Favored 'General case' 0 N--CA 1.416 -2.134 0 N-CA-C 108.477 -0.935 . . . . 0.0 108.477 -177.801 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 23.5 pttm -75.17 172.67 11.97 Favored 'General case' 0 C--N 1.295 -1.787 0 N-CA-C 113.32 0.859 . . . . 0.0 113.32 -173.816 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 18.6 ttmm -71.1 99.85 1.92 Allowed 'General case' 0 N--CA 1.424 -1.774 0 CA-C-N 114.823 -1.08 . . . . 0.0 112.026 178.629 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 3.1 mm? -103.53 6.19 37.24 Favored 'General case' 0 C--N 1.307 -1.25 0 N-CA-C 107.366 -1.346 . . . . 0.0 107.366 168.488 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 30' ' ' TRP . . . . . . . . . . . . . 8.2 m-90 . . . . . 0 C--O 1.255 1.367 0 N-CA-C 107.088 -1.449 . . . . 0.0 107.088 -179.199 . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 1' ' ' TYR . . . . . . . . . . . . . 92.1 m-85 . . . . . 0 CA--C 1.488 -1.427 0 N-CA-C 108.274 -1.01 . . . . 0.0 108.274 . . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 2' ' ' CYS . . . . . . . . . . . . . 26.2 p -95.36 154.66 17.09 Favored 'General case' 0 N--CA 1.421 -1.888 0 N-CA-C 108.275 -1.009 . . . . 0.0 108.275 174.616 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 3' ' ' GLN . . . . . 0.421 ' HB2' ' HA ' ' A' ' 15' ' ' CYS . 14.4 mm100 -83.06 128.3 34.36 Favored 'General case' 0 C--N 1.292 -1.905 0 CA-C-O 121.029 0.443 . . . . 0.0 109.812 -178.945 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 92.0 mttt -83.25 168.75 16.43 Favored 'General case' 0 C--N 1.295 -1.775 0 N-CA-C 109.045 -0.724 . . . . 0.0 109.045 -178.571 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 5' ' ' TRP . . . . . 0.406 ' CE3' ' HD2' ' A' ' 27' ' ' LYS . 28.2 p-90 -60.99 -23.45 65.39 Favored 'General case' 0 N--CA 1.484 1.243 0 C-N-CA 122.883 0.473 . . . . 0.0 111.845 -175.755 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 6' ' ' MET . . . . . . . . . . . . . 15.8 tpt -70.79 -28.51 64.71 Favored 'General case' 0 N--CA 1.432 -1.353 0 CA-C-O 122.115 0.96 . . . . 0.0 110.127 -179.392 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 7' ' ' TRP . . . . . . . . . . . . . 31.7 m0 -99.66 -168.2 1.57 Allowed 'General case' 0 C--N 1.305 -1.345 0 CA-C-N 114.91 -1.041 . . . . 0.0 111.182 -175.48 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 8' ' ' THR . . . . . 0.446 ' HA ' ' HA ' ' A' ' 24' ' ' TRP . 70.4 p -124.8 166.21 16.62 Favored 'General case' 0 C--N 1.307 -1.25 0 N-CA-C 107.279 -1.378 . . . . 0.0 107.279 -179.256 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 9' ' ' CYS . . . . . 0.559 ' SG ' ' HB2' ' A' ' 15' ' ' CYS . 26.0 p -135.56 177.11 8.08 Favored 'General case' 0 CA--C 1.502 -0.88 0 C-N-CA 117.483 -1.687 . . . . 0.0 111.491 179.541 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 24.7 m-20 -142.72 -170.72 3.28 Favored 'General case' 0 C--N 1.315 -0.892 0 N-CA-C 108.212 -1.033 . . . . 0.0 108.212 -176.237 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 36.0 p -77.4 -24.76 50.44 Favored 'General case' 0 C--N 1.312 -1.04 0 CA-C-O 122.241 1.02 . . . . 0.0 108.746 174.253 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 8.3 mm-40 -89.75 -47.09 8.14 Favored 'General case' 0 N--CA 1.437 -1.111 0 CA-C-N 114.544 -1.207 . . . . 0.0 109.199 -177.755 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 23.9 mtp180 -90.0 111.61 22.76 Favored 'General case' 0 N--CA 1.427 -1.617 0 CA-C-N 115.826 -0.625 . . . . 0.0 109.495 178.313 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 19.1 ptpt -80.14 140.23 36.48 Favored 'General case' 0 C--N 1.314 -0.96 0 CA-C-O 121.076 0.465 . . . . 0.0 110.858 -178.235 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 15' ' ' CYS . . . . . 0.559 ' HB2' ' SG ' ' A' ' 9' ' ' CYS . 26.0 t -87.58 160.2 18.28 Favored 'General case' 0 C--N 1.288 -2.081 0 N-CA-C 108.341 -0.985 . . . . 0.0 108.341 177.501 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 78.4 m -69.61 138.56 53.21 Favored 'General case' 0 C--N 1.306 -1.324 0 CA-C-O 121.449 0.642 . . . . 0.0 109.812 177.807 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 56.7 mtpt -77.97 134.24 37.88 Favored 'General case' 0 N--CA 1.42 -1.971 0 CA-C-N 115.653 -0.703 . . . . 0.0 109.508 -177.841 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 113.75 -15.14 21.85 Favored Glycine 0 N--CA 1.43 -1.724 0 N-CA-C 108.117 -1.993 . . . . 0.0 108.117 -167.608 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 19' ' ' MET . . . . . . . . . . . . . 2.2 mpt? -110.76 171.7 7.31 Favored 'General case' 0 N--CA 1.444 -0.735 0 N-CA-C 107.682 -1.229 . . . . 0.0 107.682 170.512 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 20' ' ' VAL . . . . . 0.438 ' HB ' ' HB3' ' A' ' 26' ' ' LYS . 22.8 t -106.1 123.58 60.84 Favored 'Isoleucine or valine' 0 C--N 1.302 -1.496 0 N-CA-C 107.183 -1.414 . . . . 0.0 107.183 176.877 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 29.4 t -84.02 120.68 26.42 Favored 'General case' 0 C--N 1.31 -1.146 0 N-CA-C 109.807 -0.442 . . . . 0.0 109.807 -179.234 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 22' ' ' ARG . . . . . 0.566 ' HA ' ' NE ' ' A' ' 22' ' ' ARG . 3.0 mmp_? -151.77 -158.06 0.87 Allowed 'General case' 0 C--O 1.271 2.229 0 C-N-CA 124.87 1.268 . . . . 0.0 108.711 178.396 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 23' ' ' LEU . . . . . 0.407 ' H ' ' HB3' ' A' ' 22' ' ' ARG . 57.2 tp -57.24 -19.41 21.24 Favored 'General case' 0 CA--C 1.544 0.716 0 CA-C-N 114.686 -1.143 . . . . 0.0 109.566 176.607 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 24' ' ' TRP . . . . . 0.446 ' HA ' ' HA ' ' A' ' 8' ' ' THR . 8.3 p90 -143.15 161.21 38.83 Favored 'General case' 0 N--CA 1.421 -1.92 0 N-CA-C 105.852 -1.907 . . . . 0.0 105.852 171.94 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 33.2 m -86.94 117.93 25.99 Favored 'General case' 0 C--N 1.301 -1.514 0 C-N-CA 120.076 -0.65 . . . . 0.0 109.344 174.596 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 26' ' ' LYS . . . . . 0.438 ' HB3' ' HB ' ' A' ' 20' ' ' VAL . 84.1 tttt -91.75 121.88 33.78 Favored 'General case' 0 C--N 1.296 -1.76 0 CA-C-N 115.914 -0.584 . . . . 0.0 109.518 -176.994 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 27' ' ' LYS . . . . . 0.406 ' HD2' ' CE3' ' A' ' 5' ' ' TRP . 15.0 ptmm? -67.67 148.37 51.43 Favored 'General case' 0 C--N 1.315 -0.927 0 N-CA-C 108.752 -0.833 . . . . 0.0 108.752 175.094 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 63.3 tttm 68.72 96.95 0.06 Allowed 'General case' 0 C--N 1.317 -0.832 0 O-C-N 124.451 1.094 . . . . 0.0 110.39 -179.308 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 57.5 tp -50.3 -41.74 51.39 Favored 'General case' 0 C--O 1.245 0.823 0 C-N-CA 125.229 1.412 . . . . 0.0 112.589 -176.334 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 30' ' ' TRP . . . . . . . . . . . . . 51.5 t-105 . . . . . 0 C--N 1.306 -1.298 0 N-CA-C 107.863 -1.162 . . . . 0.0 107.863 178.116 . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 1' ' ' TYR . . . . . . . . . . . . . 93.8 m-85 . . . . . 0 CA--C 1.504 -0.797 0 N-CA-C 108.704 -0.85 . . . . 0.0 108.704 . . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 2' ' ' CYS . . . . . . . . . . . . . 13.8 p -96.92 165.78 11.93 Favored 'General case' 0 C--N 1.294 -1.83 0 N-CA-C 108.448 -0.945 . . . . 0.0 108.448 176.592 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 3' ' ' GLN . . . . . 0.487 ' HB2' ' HA ' ' A' ' 15' ' ' CYS . 13.5 mm100 -84.27 119.48 25.1 Favored 'General case' 0 C--N 1.298 -1.657 0 C-N-CA 120.067 -0.653 . . . . 0.0 109.751 178.676 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 62.8 mttp -72.64 176.3 5.62 Favored 'General case' 0 C--N 1.323 -0.55 0 CA-C-O 121.198 0.523 . . . . 0.0 111.41 179.363 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 5' ' ' TRP . . . . . . . . . . . . . 46.9 p90 -64.55 -24.22 67.53 Favored 'General case' 0 C--N 1.318 -0.78 0 C-N-CA 124.371 1.068 . . . . 0.0 110.758 -178.992 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 6' ' ' MET . . . . . . . . . . . . . 48.4 ttm -86.67 -15.39 39.78 Favored 'General case' 0 C--N 1.31 -1.112 0 CA-C-N 114.819 -1.082 . . . . 0.0 110.338 -178.564 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 7' ' ' TRP . . . . . . . . . . . . . 49.7 m0 -101.44 -176.46 3.15 Favored 'General case' 0 C--N 1.298 -1.663 0 CA-C-N 115.654 -0.703 . . . . 0.0 110.928 -179.516 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 8' ' ' THR . . . . . 0.548 ' HB ' ' O ' ' A' ' 23' ' ' LEU . 70.4 p -128.1 163.22 25.08 Favored 'General case' 0 C--N 1.302 -1.49 0 N-CA-C 108.942 -0.762 . . . . 0.0 108.942 -175.656 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 9' ' ' CYS . . . . . 0.548 ' HB2' ' O ' ' A' ' 13' ' ' ARG . 31.9 p -130.59 175.1 9.28 Favored 'General case' 0 C--O 1.244 0.77 0 C-N-CA 118.314 -1.354 . . . . 0.0 110.881 178.888 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 18.3 m-20 -146.8 -158.22 0.89 Allowed 'General case' 0 CA--C 1.504 -0.79 0 N-CA-C 107.244 -1.391 . . . . 0.0 107.244 -176.618 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 20.6 m -65.04 -42.37 94.35 Favored 'General case' 0 C--N 1.311 -1.076 0 CA-C-O 120.767 0.317 . . . . 0.0 111.17 178.687 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 39.3 mm-40 -89.46 -54.32 4.14 Favored 'General case' 0 C--N 1.322 -0.611 0 C-N-CA 120.181 -0.608 . . . . 0.0 112.11 -179.528 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 13' ' ' ARG . . . . . 0.548 ' O ' ' HB2' ' A' ' 9' ' ' CYS . 83.9 mtm180 -62.23 122.63 16.1 Favored 'General case' 0 N--CA 1.474 0.741 0 N-CA-C 111.613 0.227 . . . . 0.0 111.613 -179.362 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 22.4 ptmt -104.84 144.94 31.08 Favored 'General case' 0 C--N 1.319 -0.726 0 CA-C-N 116.036 -0.529 . . . . 0.0 110.722 -178.816 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 15' ' ' CYS . . . . . 0.487 ' HA ' ' HB2' ' A' ' 3' ' ' GLN . 57.5 m -79.7 164.86 23.4 Favored 'General case' 0 C--N 1.308 -1.206 0 N-CA-C 109.666 -0.494 . . . . 0.0 109.666 178.32 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 60.7 m -66.25 153.71 41.82 Favored 'General case' 0 C--N 1.295 -1.797 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.088 177.1 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 58.1 tptt -56.25 119.33 5.79 Favored 'General case' 0 C--O 1.24 0.578 0 C-N-CA 123.111 0.565 . . . . 0.0 110.42 179.607 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 106.73 14.55 19.19 Favored Glycine 0 N--CA 1.436 -1.339 0 C-N-CA 120.564 -0.827 . . . . 0.0 111.298 -178.558 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 19' ' ' MET . . . . . . . . . . . . . 65.1 mtt -129.06 158.68 38.25 Favored 'General case' 0 C--N 1.311 -1.081 0 N-CA-C 109.087 -0.708 . . . . 0.0 109.087 176.728 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 33.2 m -106.44 143.4 17.36 Favored 'Isoleucine or valine' 0 C--N 1.305 -1.347 0 N-CA-C 108.441 -0.948 . . . . 0.0 108.441 176.963 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 13.8 t -89.81 138.58 31.36 Favored 'General case' 0 C--N 1.293 -1.878 0 N-CA-C 109.395 -0.594 . . . . 0.0 109.395 -177.342 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 22' ' ' ARG . . . . . 0.46 ' HG2' ' H ' ' A' ' 23' ' ' LEU . 70.6 ttt180 -171.25 -171.4 0.95 Allowed 'General case' 0 C--O 1.27 2.155 0 N-CA-C 105.875 -1.898 . . . . 0.0 105.875 -179.063 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 23' ' ' LEU . . . . . 0.548 ' O ' ' HB ' ' A' ' 8' ' ' THR . 92.4 mt -48.39 -25.69 1.73 Allowed 'General case' 0 C--O 1.213 -0.822 0 C-N-CA 123.537 0.735 . . . . 0.0 111.632 175.119 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 24' ' ' TRP . . . . . 0.487 ' HA ' ' HA ' ' A' ' 8' ' ' THR . 18.1 p90 -138.92 159.59 41.76 Favored 'General case' 0 N--CA 1.426 -1.653 0 N-CA-C 106.982 -1.488 . . . . 0.0 106.982 172.872 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 88.7 m -87.51 125.13 34.14 Favored 'General case' 0 C--N 1.315 -0.898 0 CA-C-N 118.331 0.514 . . . . 0.0 110.215 177.966 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 40.2 ttpt -118.26 141.28 48.68 Favored 'General case' 0 C--N 1.302 -1.461 0 N-CA-C 109.103 -0.703 . . . . 0.0 109.103 -177.251 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 95.3 mttt -71.3 138.03 48.99 Favored 'General case' 0 C--N 1.311 -1.081 0 CA-C-O 121.236 0.541 . . . . 0.0 110.587 -178.993 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 86.2 tttt -100.26 88.05 3.59 Favored 'General case' 0 C--N 1.292 -1.908 0 N-CA-C 107.333 -1.358 . . . . 0.0 107.333 179.484 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 29' ' ' LEU . . . . . 0.477 HD21 ' H ' ' A' ' 29' ' ' LEU . 2.3 pt? -107.94 5.02 25.91 Favored 'General case' 0 C--N 1.304 -1.398 0 CA-C-O 121.272 0.558 . . . . 0.0 110.367 -178.547 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 30' ' ' TRP . . . . . . . . . . . . . 79.3 m95 . . . . . 0 C--N 1.303 -1.414 0 CA-C-N 115.464 -0.789 . . . . 0.0 108.904 -177.858 . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 1' ' ' TYR . . . . . . . . . . . . . 93.0 m-85 . . . . . 0 CA--C 1.503 -0.842 0 N-CA-C 108.802 -0.814 . . . . 0.0 108.802 . . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 2' ' ' CYS . . . . . . . . . . . . . 49.5 t -82.67 160.4 22.43 Favored 'General case' 0 C--N 1.308 -1.239 0 N-CA-C 106.534 -1.654 . . . . 0.0 106.534 176.227 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 3' ' ' GLN . . . . . 0.509 ' OE1' ' HA ' ' A' ' 9' ' ' CYS . 5.4 mt-30 -100.31 123.87 45.08 Favored 'General case' 0 C--N 1.303 -1.449 0 C-N-CA 118.572 -1.251 . . . . 0.0 112.25 -176.049 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 92.3 mttt -78.66 163.91 25.05 Favored 'General case' 0 C--N 1.314 -0.963 0 CA-C-N 113.807 -1.542 . . . . 0.0 110.438 -176.266 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 5' ' ' TRP . . . . . . . . . . . . . 13.6 p-90 -58.25 -27.87 64.38 Favored 'General case' 0 N--CA 1.482 1.163 0 C-N-CA 123.459 0.704 . . . . 0.0 111.728 -176.177 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 6' ' ' MET . . . . . . . . . . . . . 49.6 ttm -79.54 -13.77 59.31 Favored 'General case' 0 C--N 1.313 -1.01 0 CA-C-O 121.506 0.669 . . . . 0.0 111.099 -177.23 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 7' ' ' TRP . . . . . . . . . . . . . 41.9 m0 -96.89 -174.08 2.88 Favored 'General case' 0 C--N 1.294 -1.811 0 CA-C-N 115.725 -0.67 . . . . 0.0 109.862 -177.601 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 8' ' ' THR . . . . . 0.486 ' HA ' ' HA ' ' A' ' 24' ' ' TRP . 34.0 p -131.0 156.23 45.47 Favored 'General case' 0 C--N 1.295 -1.784 0 N-CA-C 106.829 -1.545 . . . . 0.0 106.829 179.53 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 9' ' ' CYS . . . . . 0.574 ' HB2' ' O ' ' A' ' 13' ' ' ARG . 31.9 p -120.47 170.26 9.55 Favored 'General case' 0 CA--C 1.504 -0.795 0 C-N-CA 116.98 -1.888 . . . . 0.0 112.184 -179.011 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 4.3 p30 -132.82 -160.0 1.01 Allowed 'General case' 0 C--N 1.309 -1.189 0 N-CA-C 107.374 -1.343 . . . . 0.0 107.374 179.563 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 50.3 p -74.76 -40.95 60.91 Favored 'General case' 0 C--N 1.308 -1.215 0 CA-C-N 118.385 0.539 . . . . 0.0 111.267 -178.622 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 12.7 mm-40 -82.49 -44.7 15.64 Favored 'General case' 0 N--CA 1.434 -1.271 0 CA-C-N 115.634 -0.712 . . . . 0.0 109.133 -173.497 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 13' ' ' ARG . . . . . 0.574 ' O ' ' HB2' ' A' ' 9' ' ' CYS . 5.2 mmp_? -98.61 115.89 29.64 Favored 'General case' 0 CA--C 1.492 -1.275 0 CA-C-N 115.664 -0.698 . . . . 0.0 110.135 177.052 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 14' ' ' LYS . . . . . 0.426 ' HA ' ' SG ' ' A' ' 21' ' ' CYS . 57.7 mttp -105.85 157.16 17.67 Favored 'General case' 0 C--N 1.293 -1.872 0 O-C-N 123.66 0.6 . . . . 0.0 110.839 -179.73 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 15' ' ' CYS . . . . . 0.457 ' HA ' ' HB2' ' A' ' 3' ' ' GLN . 60.1 m -76.6 159.92 29.87 Favored 'General case' 0 C--O 1.248 0.996 0 CA-C-N 116.597 -0.274 . . . . 0.0 110.294 177.906 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 16' ' ' CYS . . . . . 0.413 ' O ' ' HB2' ' A' ' 19' ' ' MET . 85.8 m -65.14 165.86 10.6 Favored 'General case' 0 C--N 1.305 -1.352 0 N-CA-C 113.488 0.922 . . . . 0.0 113.488 -179.287 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 39.7 ttmt -64.92 141.1 58.89 Favored 'General case' 0 C--N 1.32 -0.685 0 CA-C-N 115.056 -0.974 . . . . 0.0 109.382 177.219 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 92.52 -3.56 75.37 Favored Glycine 0 N--CA 1.435 -1.401 0 N-CA-C 109.372 -1.491 . . . . 0.0 109.372 -175.654 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 19' ' ' MET . . . . . 0.413 ' HB2' ' O ' ' A' ' 16' ' ' CYS . 60.4 mtt -129.26 154.9 46.37 Favored 'General case' 0 N--CA 1.428 -1.57 0 N-CA-C 108.273 -1.01 . . . . 0.0 108.273 178.704 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 7.4 p -106.58 132.01 54.91 Favored 'Isoleucine or valine' 0 C--N 1.281 -2.372 0 N-CA-C 108.232 -1.025 . . . . 0.0 108.232 178.558 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 21' ' ' CYS . . . . . 0.426 ' SG ' ' HA ' ' A' ' 14' ' ' LYS . 35.2 t -76.08 110.75 10.82 Favored 'General case' 0 N--CA 1.427 -1.617 0 N-CA-C 108.129 -1.063 . . . . 0.0 108.129 179.771 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 22' ' ' ARG . . . . . 0.408 ' HB3' ' H ' ' A' ' 23' ' ' LEU . 21.1 mmm180 -140.39 -161.86 1.26 Allowed 'General case' 0 C--O 1.287 3.03 0 CA-C-N 115.58 -0.737 . . . . 0.0 110.207 -178.776 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 23' ' ' LEU . . . . . 0.408 ' H ' ' HB3' ' A' ' 22' ' ' ARG . 55.0 tp -52.09 -39.63 60.06 Favored 'General case' 0 CA--C 1.512 -0.486 0 CA-C-N 113.641 -1.618 . . . . 0.0 107.792 177.876 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 24' ' ' TRP . . . . . 0.486 ' HA ' ' HA ' ' A' ' 8' ' ' THR . 36.1 p90 -130.55 165.49 22.62 Favored 'General case' 0 N--CA 1.417 -2.114 0 N-CA-C 107.403 -1.332 . . . . 0.0 107.403 171.311 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 99.4 m -76.59 115.48 16.38 Favored 'General case' 0 C--N 1.31 -1.112 0 CA-C-O 121.593 0.711 . . . . 0.0 109.654 176.348 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 52.8 tttm -114.92 129.51 56.72 Favored 'General case' 0 N--CA 1.415 -2.217 0 CA-C-N 115.255 -0.884 . . . . 0.0 109.567 -175.387 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 27' ' ' LYS . . . . . 0.426 ' HZ1' ' HB3' ' A' ' 27' ' ' LYS . 8.5 mtpm? -64.73 130.77 44.8 Favored 'General case' 0 N--CA 1.44 -0.943 0 N-CA-C 108.783 -0.821 . . . . 0.0 108.783 174.92 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 65.0 tttp -104.84 97.23 7.14 Favored 'General case' 0 C--N 1.278 -2.518 0 CA-C-N 114.615 -1.175 . . . . 0.0 110.413 -173.886 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 89.9 mt -84.24 -47.94 10.28 Favored 'General case' 0 C--N 1.302 -1.491 0 N-CA-C 106.364 -1.717 . . . . 0.0 106.364 173.678 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 30' ' ' TRP . . . . . . . . . . . . . 11.0 m-90 . . . . . 0 N--CA 1.426 -1.663 0 CA-C-N 114.826 -1.079 . . . . 0.0 108.49 178.146 . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 1' ' ' TYR . . . . . . . . . . . . . 41.9 p90 . . . . . 0 CA--C 1.507 -0.693 0 N-CA-C 109.716 -0.476 . . . . 0.0 109.716 . . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 2' ' ' CYS . . . . . 0.46 ' HB3' ' HB2' ' A' ' 16' ' ' CYS . 43.6 m -151.69 143.26 23.56 Favored 'General case' 0 C--N 1.299 -1.591 0 CA-C-N 116.479 -0.328 . . . . 0.0 110.926 -178.18 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 3' ' ' GLN . . . . . 0.443 ' HB2' ' HA ' ' A' ' 15' ' ' CYS . 15.3 mm100 -83.88 144.27 29.34 Favored 'General case' 0 N--CA 1.438 -1.049 0 N-CA-C 106.717 -1.586 . . . . 0.0 106.717 170.507 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 97.0 mttt -91.5 172.18 8.69 Favored 'General case' 0 C--N 1.3 -1.555 0 CA-C-O 120.804 0.335 . . . . 0.0 111.059 -178.229 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 5' ' ' TRP . . . . . . . . . . . . . 46.3 p90 -62.66 -26.4 68.62 Favored 'General case' 0 C--N 1.317 -0.829 0 C-N-CA 124.665 1.186 . . . . 0.0 110.553 178.868 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 6' ' ' MET . . . . . . . . . . . . . 25.5 ttt -77.58 -25.15 49.73 Favored 'General case' 0 C--N 1.312 -1.028 0 CA-C-N 114.871 -1.059 . . . . 0.0 109.909 179.689 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 7' ' ' TRP . . . . . 0.408 ' CE3' ' HA ' ' A' ' 3' ' ' GLN . 28.9 m0 -94.52 -176.87 4.05 Favored 'General case' 0 C--N 1.292 -1.909 0 CA-C-N 115.01 -0.996 . . . . 0.0 109.809 -174.048 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 8' ' ' THR . . . . . 0.494 ' HA ' ' HA ' ' A' ' 24' ' ' TRP . 47.3 p -127.6 172.3 10.87 Favored 'General case' 0 C--N 1.29 -1.984 0 N-CA-C 106.653 -1.61 . . . . 0.0 106.653 -179.768 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 9' ' ' CYS . . . . . 0.595 ' HB3' ' SG ' ' A' ' 15' ' ' CYS . 18.5 p -119.63 179.23 4.29 Favored 'General case' 0 N--CA 1.448 -0.546 0 C-N-CA 115.989 -2.284 . . . . 0.0 111.645 177.583 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 10' ' ' ASP . . . . . 0.449 ' CG ' ' H ' ' A' ' 11' ' ' SER . 31.7 t70 -143.01 -166.06 2.21 Favored 'General case' 0 C--N 1.3 -1.587 0 N-CA-C 105.733 -1.951 . . . . 0.0 105.733 -176.266 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 11' ' ' SER . . . . . 0.449 ' H ' ' CG ' ' A' ' 10' ' ' ASP . 14.3 p -78.69 -37.81 40.77 Favored 'General case' 0 C--N 1.293 -1.881 0 N-CA-C 108.184 -1.043 . . . . 0.0 108.184 176.097 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 27.8 mm-40 -86.63 -50.06 7.07 Favored 'General case' 0 N--CA 1.439 -1.013 0 CA-C-N 115.726 -0.67 . . . . 0.0 111.147 178.456 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 13' ' ' ARG . . . . . 0.491 ' O ' ' HB2' ' A' ' 9' ' ' CYS . 5.9 mmp_? -77.24 111.01 12.43 Favored 'General case' 0 C--O 1.21 -0.999 0 N-CA-C 108.31 -0.996 . . . . 0.0 108.31 176.689 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 62.4 pttt -106.65 149.34 27.32 Favored 'General case' 0 C--N 1.277 -2.563 0 C-N-CA 120.578 -0.449 . . . . 0.0 112.121 -179.553 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 15' ' ' CYS . . . . . 0.7 ' SG ' ' HA ' ' A' ' 21' ' ' CYS . 61.4 m -70.67 160.44 32.6 Favored 'General case' 0 C--N 1.321 -0.671 0 CA-C-N 116.017 -0.538 . . . . 0.0 109.801 178.022 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 16' ' ' CYS . . . . . 0.46 ' HB2' ' HB3' ' A' ' 2' ' ' CYS . 3.1 t -74.34 174.78 8.37 Favored 'General case' 0 C--N 1.314 -0.938 0 CA-C-O 121.105 0.478 . . . . 0.0 111.001 -175.483 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 66.7 tttm -68.1 126.26 28.96 Favored 'General case' 0 N--CA 1.44 -0.929 0 CA-C-N 115.791 -0.64 . . . . 0.0 109.486 179.059 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 96.0 10.3 56.37 Favored Glycine 0 C--N 1.309 -0.931 0 N-CA-C 110.459 -1.056 . . . . 0.0 110.459 -177.585 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 19' ' ' MET . . . . . . . . . . . . . 67.1 mtt -122.13 159.2 27.68 Favored 'General case' 0 N--CA 1.433 -1.299 0 CA-C-N 115.008 -0.596 . . . . 0.0 109.477 177.292 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 72.5 t -105.86 123.69 60.54 Favored 'Isoleucine or valine' 0 C--N 1.292 -1.908 0 N-CA-C 107.352 -1.351 . . . . 0.0 107.352 177.615 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 21' ' ' CYS . . . . . 0.7 ' HA ' ' SG ' ' A' ' 15' ' ' CYS . 34.6 t -76.5 107.46 8.79 Favored 'General case' 0 CA--C 1.501 -0.918 0 N-CA-C 107.538 -1.282 . . . . 0.0 107.538 178.407 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 56.3 ttt180 -142.73 -170.19 3.16 Favored 'General case' 0 N--CA 1.401 -2.919 0 N-CA-C 108.102 -1.073 . . . . 0.0 108.102 -173.308 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 2.9 mm? -55.2 -18.11 5.42 Favored 'General case' 0 N--CA 1.472 0.637 0 C-N-CA 124.183 0.993 . . . . 0.0 110.668 177.46 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 24' ' ' TRP . . . . . 0.494 ' HA ' ' HA ' ' A' ' 8' ' ' THR . 14.7 p90 -147.17 157.75 43.71 Favored 'General case' 0 N--CA 1.416 -2.126 0 N-CA-C 105.752 -1.944 . . . . 0.0 105.752 170.967 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 61.3 m -82.66 114.24 20.9 Favored 'General case' 0 CA--C 1.492 -1.266 0 CA-C-N 118.933 0.788 . . . . 0.0 110.695 178.644 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 86.7 tttt -110.34 118.24 35.79 Favored 'General case' 0 N--CA 1.412 -2.37 0 CA-C-N 115.524 -0.762 . . . . 0.0 110.739 -177.069 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 22.0 pttp -81.41 153.07 27.13 Favored 'General case' 0 C--N 1.308 -1.206 0 N-CA-C 108.695 -0.854 . . . . 0.0 108.695 175.018 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -55.6 150.67 11.9 Favored 'General case' 0 C--N 1.312 -1.023 0 N-CA-C 112.962 0.726 . . . . 0.0 112.962 -176.743 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 91.2 mt -82.41 -5.39 58.62 Favored 'General case' 0 C--N 1.31 -1.13 0 CA-C-N 115.543 -0.753 . . . . 0.0 110.457 179.248 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 30' ' ' TRP . . . . . . . . . . . . . 8.1 t-105 . . . . . 0 N--CA 1.429 -1.517 0 N-CA-C 107.748 -1.204 . . . . 0.0 107.748 -179.839 . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 1' ' ' TYR . . . . . . . . . . . . . 94.4 m-85 . . . . . 0 CA--C 1.506 -0.741 0 N-CA-C 110.285 -0.265 . . . . 0.0 110.285 . . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 2' ' ' CYS . . . . . . . . . . . . . 53.4 t -84.43 162.21 20.04 Favored 'General case' 0 C--N 1.311 -1.099 0 N-CA-C 106.786 -1.561 . . . . 0.0 106.786 175.546 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 3' ' ' GLN . . . . . 0.439 ' HG2' ' O ' ' A' ' 14' ' ' LYS . 10.3 mm100 -83.54 132.4 34.93 Favored 'General case' 0 C--N 1.306 -1.312 0 C-N-CA 119.957 -0.697 . . . . 0.0 109.701 -176.191 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 95.3 mttt -94.42 176.59 6.24 Favored 'General case' 0 C--N 1.306 -1.305 0 CA-C-N 115.515 -0.766 . . . . 0.0 110.828 -179.189 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 5' ' ' TRP . . . . . . . . . . . . . 44.7 p90 -63.24 -23.84 67.6 Favored 'General case' 0 N--CA 1.478 0.955 0 C-N-CA 124.665 1.186 . . . . 0.0 110.772 178.388 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 6' ' ' MET . . . . . . . . . . . . . 39.0 ttm -81.36 -21.65 38.96 Favored 'General case' 0 C--N 1.308 -1.201 0 CA-C-N 114.851 -1.068 . . . . 0.0 110.383 178.387 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 7' ' ' TRP . . . . . . . . . . . . . 17.7 m0 -96.67 -176.55 3.63 Favored 'General case' 0 C--N 1.295 -1.79 0 CA-C-N 114.919 -1.037 . . . . 0.0 110.525 -171.375 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 8' ' ' THR . . . . . 0.501 ' HB ' ' O ' ' A' ' 23' ' ' LEU . 71.3 p -128.22 167.79 16.37 Favored 'General case' 0 C--N 1.302 -1.477 0 N-CA-C 107.711 -1.218 . . . . 0.0 107.711 178.921 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 26.4 p -133.91 -178.5 5.05 Favored 'General case' 0 C--O 1.253 1.283 0 C-N-CA 117.541 -1.663 . . . . 0.0 111.834 177.019 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 17.7 t70 -157.95 -165.35 1.71 Allowed 'General case' 0 C--N 1.309 -1.153 0 N-CA-C 105.444 -2.058 . . . . 0.0 105.444 -175.812 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 19.5 m -80.74 -26.5 37.33 Favored 'General case' 0 C--N 1.306 -1.284 0 N-CA-C 108.421 -0.955 . . . . 0.0 108.421 177.57 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 45.3 mt-10 -83.18 -57.59 3.21 Favored 'General case' 0 N--CA 1.442 -0.835 0 CA-C-N 115.143 -0.935 . . . . 0.0 109.51 177.109 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 4.6 mmp_? -71.75 112.02 7.51 Favored 'General case' 0 CA--C 1.509 -0.625 0 N-CA-C 109.753 -0.462 . . . . 0.0 109.753 177.544 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 14' ' ' LYS . . . . . 0.467 ' H ' ' HD3' ' A' ' 14' ' ' LYS . 0.0 OUTLIER -88.85 132.3 34.72 Favored 'General case' 0 C--N 1.3 -1.551 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.176 -177.596 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 8.2 t -92.48 157.64 16.45 Favored 'General case' 0 C--N 1.295 -1.774 0 N-CA-C 108.365 -0.976 . . . . 0.0 108.365 -177.7 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 75.3 m -72.47 149.59 44.04 Favored 'General case' 0 C--N 1.306 -1.307 0 CA-C-O 121.324 0.583 . . . . 0.0 112.124 -176.235 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 99.0 mttt -71.18 131.5 43.63 Favored 'General case' 0 N--CA 1.434 -1.254 0 N-CA-C 107.634 -1.247 . . . . 0.0 107.634 175.073 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 107.05 2.3 36.15 Favored Glycine 0 C--N 1.287 -2.152 0 N-CA-C 108.655 -1.778 . . . . 0.0 108.655 -171.721 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 19' ' ' MET . . . . . 0.402 ' HG2' ' HA ' ' A' ' 27' ' ' LYS . 65.4 mtt -131.29 159.24 38.43 Favored 'General case' 0 CA--C 1.498 -1.04 0 N-CA-C 107.426 -1.324 . . . . 0.0 107.426 175.76 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 65.4 t -106.16 125.4 61.8 Favored 'Isoleucine or valine' 0 C--N 1.287 -2.15 0 N-CA-C 107.237 -1.394 . . . . 0.0 107.237 177.28 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 27.5 t -80.25 136.32 36.43 Favored 'General case' 0 N--CA 1.429 -1.493 0 N-CA-C 108.612 -0.884 . . . . 0.0 108.612 -178.343 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 22' ' ' ARG . . . . . 0.401 ' HG2' ' H ' ' A' ' 23' ' ' LEU . 57.6 ttt180 -167.52 -167.32 0.87 Allowed 'General case' 0 C--O 1.279 2.613 0 N-CA-C 106.526 -1.657 . . . . 0.0 106.526 -175.289 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 23' ' ' LEU . . . . . 0.501 ' O ' ' HB ' ' A' ' 8' ' ' THR . 6.5 mp -54.64 -23.46 17.25 Favored 'General case' 0 N--CA 1.474 0.763 0 C-N-CA 122.695 0.398 . . . . 0.0 110.156 176.03 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 24' ' ' TRP . . . . . 0.447 ' HA ' ' HA ' ' A' ' 8' ' ' THR . 9.3 p90 -138.09 162.16 34.91 Favored 'General case' 0 N--CA 1.423 -1.811 0 N-CA-C 106.457 -1.682 . . . . 0.0 106.457 174.063 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 14.7 m -92.5 131.95 37.22 Favored 'General case' 0 C--N 1.307 -1.241 0 CA-C-N 118.68 0.673 . . . . 0.0 110.427 176.29 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 86.5 tttt -130.07 122.13 27.73 Favored 'General case' 0 N--CA 1.42 -1.932 0 CA-C-N 116.24 -0.436 . . . . 0.0 109.965 -179.445 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 27' ' ' LYS . . . . . 0.402 ' HA ' ' HG2' ' A' ' 19' ' ' MET . 13.7 ptmm? -72.23 142.62 48.97 Favored 'General case' 0 C--N 1.308 -1.226 0 CA-C-O 121.394 0.616 . . . . 0.0 111.427 -176.724 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 24.8 tptp -86.85 117.72 25.77 Favored 'General case' 0 C--N 1.297 -1.691 0 N-CA-C 106.174 -1.787 . . . . 0.0 106.174 -178.834 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 67.7 mt -69.16 -48.17 62.99 Favored 'General case' 0 C--N 1.3 -1.55 0 CA-C-O 121.685 0.755 . . . . 0.0 109.1 -177.788 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 30' ' ' TRP . . . . . . . . . . . . . 86.7 t90 . . . . . 0 N--CA 1.424 -1.74 0 N-CA-C 106.108 -1.812 . . . . 0.0 106.108 177.985 . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 1' ' ' TYR . . . . . . . . . . . . . 61.3 m-85 . . . . . 0 N--CA 1.452 -0.366 0 N-CA-C 109.145 -0.687 . . . . 0.0 109.145 . . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 2' ' ' CYS . . . . . . . . . . . . . 54.8 m -152.5 147.65 26.47 Favored 'General case' 0 CA--C 1.497 -1.085 0 CA-C-N 116.602 -0.272 . . . . 0.0 111.234 -177.461 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 3' ' ' GLN . . . . . 0.453 ' HB2' ' HA ' ' A' ' 15' ' ' CYS . 15.5 mm100 -83.55 109.8 17.7 Favored 'General case' 0 N--CA 1.433 -1.312 0 N-CA-C 106.493 -1.669 . . . . 0.0 106.493 172.511 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 93.2 mttt -80.82 165.54 21.78 Favored 'General case' 0 C--N 1.308 -1.203 0 CA-C-N 115.393 -0.821 . . . . 0.0 111.053 -175.216 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 5' ' ' TRP . . . . . . . . . . . . . 42.9 p90 -55.88 -26.86 49.17 Favored 'General case' 0 N--CA 1.479 1.011 0 C-N-CA 125.713 1.605 . . . . 0.0 110.853 176.636 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 6' ' ' MET . . . . . . . . . . . . . 25.5 ttt -66.17 -27.05 67.72 Favored 'General case' 0 C--N 1.316 -0.882 0 CA-C-N 114.525 -1.216 . . . . 0.0 110.925 179.003 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 7' ' ' TRP . . . . . . . . . . . . . 19.9 m0 -108.05 -168.95 1.43 Allowed 'General case' 0 C--N 1.304 -1.372 0 CA-C-N 115.852 -0.613 . . . . 0.0 110.057 -175.862 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 8' ' ' THR . . . . . 0.503 ' HA ' ' HA ' ' A' ' 24' ' ' TRP . 45.4 p -125.68 163.06 23.63 Favored 'General case' 0 C--N 1.304 -1.403 0 N-CA-C 108.953 -0.758 . . . . 0.0 108.953 -177.598 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 9' ' ' CYS . . . . . 0.672 ' HB2' ' O ' ' A' ' 13' ' ' ARG . 19.8 p -128.36 177.99 6.58 Favored 'General case' 0 C--O 1.248 1.017 0 C-N-CA 117.328 -1.749 . . . . 0.0 110.392 177.729 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 7.5 t70 -147.48 -161.42 1.33 Allowed 'General case' 0 C--N 1.31 -1.148 0 N-CA-C 105.134 -2.172 . . . . 0.0 105.134 178.526 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 76.2 p -79.71 -19.8 48.01 Favored 'General case' 0 C--N 1.315 -0.924 0 CA-C-N 120.295 1.407 . . . . 0.0 109.708 178.209 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 45.4 mt-10 -82.16 -64.66 1.13 Allowed 'General case' 0 N--CA 1.443 -0.798 0 CA-C-N 115.019 -0.991 . . . . 0.0 110.289 178.879 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 13' ' ' ARG . . . . . 0.672 ' O ' ' HB2' ' A' ' 9' ' ' CYS . 80.4 mtm180 -84.65 116.2 23.07 Favored 'General case' 0 C--O 1.206 -1.21 0 N-CA-C 108.405 -0.961 . . . . 0.0 108.405 175.335 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 49.5 mtmt -105.11 150.19 25.23 Favored 'General case' 0 C--N 1.309 -1.163 0 N-CA-C 109.257 -0.645 . . . . 0.0 109.257 -179.766 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 15' ' ' CYS . . . . . 0.453 ' HA ' ' HB2' ' A' ' 3' ' ' GLN . 13.7 m -79.64 147.67 31.93 Favored 'General case' 0 C--N 1.311 -1.099 0 N-CA-C 107.957 -1.127 . . . . 0.0 107.957 176.156 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 67.6 m -72.7 162.33 29.61 Favored 'General case' 0 C--N 1.313 -0.993 0 C-N-CA 120.202 -0.599 . . . . 0.0 111.64 177.749 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 60.9 tttm -53.42 133.86 40.4 Favored 'General case' 0 N--CA 1.453 -0.323 0 C-N-CA 124.282 1.033 . . . . 0.0 111.16 -178.233 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 111.14 -18.33 26.01 Favored Glycine 0 C--N 1.307 -1.083 0 N-CA-C 108.715 -1.754 . . . . 0.0 108.715 -175.924 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 19' ' ' MET . . . . . . . . . . . . . 51.3 mtm -124.63 147.92 48.23 Favored 'General case' 0 N--CA 1.427 -1.604 0 N-CA-C 107.705 -1.22 . . . . 0.0 107.705 175.985 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 8.9 p -106.47 133.03 52.17 Favored 'Isoleucine or valine' 0 C--N 1.291 -1.95 0 N-CA-C 108.128 -1.064 . . . . 0.0 108.128 -179.37 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 21' ' ' CYS . . . . . 0.405 ' HA ' ' SG ' ' A' ' 15' ' ' CYS . 11.4 t -71.53 120.44 17.12 Favored 'General case' 0 N--CA 1.431 -1.411 0 CA-C-N 115.677 -0.692 . . . . 0.0 109.271 -177.707 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 22' ' ' ARG . . . . . 0.44 ' HG3' ' H ' ' A' ' 23' ' ' LEU . 22.2 tpt180 -149.77 -174.52 4.72 Favored 'General case' 0 C--O 1.286 3.017 0 N-CA-C 107.052 -1.462 . . . . 0.0 107.052 -175.913 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 23' ' ' LEU . . . . . 0.44 ' H ' ' HG3' ' A' ' 22' ' ' ARG . 74.3 mt -49.34 -28.2 4.72 Favored 'General case' 0 N--CA 1.47 0.554 0 C-N-CA 123.867 0.867 . . . . 0.0 110.407 175.909 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 24' ' ' TRP . . . . . 0.503 ' HA ' ' HA ' ' A' ' 8' ' ' THR . 12.6 p90 -138.07 158.63 43.94 Favored 'General case' 0 N--CA 1.422 -1.848 0 N-CA-C 105.41 -2.07 . . . . 0.0 105.41 171.158 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 67.0 m -74.89 114.26 13.14 Favored 'General case' 0 C--N 1.31 -1.127 0 C-N-CA 119.35 -0.94 . . . . 0.0 109.635 176.683 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 60.1 tttp -110.7 146.54 36.08 Favored 'General case' 0 C--N 1.298 -1.659 0 N-CA-C 108.999 -0.741 . . . . 0.0 108.999 -177.54 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 90.8 mttt -66.03 140.22 58.26 Favored 'General case' 0 C--N 1.304 -1.38 0 N-CA-C 109.339 -0.615 . . . . 0.0 109.339 177.145 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 65.0 tttm -86.79 89.63 8.02 Favored 'General case' 0 C--N 1.298 -1.633 0 N-CA-C 108.278 -1.008 . . . . 0.0 108.278 179.754 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 64.0 mt -77.81 -46.49 21.39 Favored 'General case' 0 C--N 1.303 -1.42 0 N-CA-C 108.072 -1.084 . . . . 0.0 108.072 -179.845 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 30' ' ' TRP . . . . . . . . . . . . . 14.5 m-90 . . . . . 0 N--CA 1.426 -1.642 0 N-CA-C 107.459 -1.312 . . . . 0.0 107.459 178.518 . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 1' ' ' TYR . . . . . 0.474 ' OH ' ' HA ' ' A' ' 13' ' ' ARG . 22.4 p90 . . . . . 0 CA--C 1.505 -0.774 0 N-CA-C 110.022 -0.362 . . . . 0.0 110.022 . . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 2' ' ' CYS . . . . . . . . . . . . . 11.7 t -109.92 149.63 29.63 Favored 'General case' 0 N--CA 1.423 -1.81 0 N-CA-C 109.15 -0.685 . . . . 0.0 109.15 -179.203 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 15.3 mm100 -114.71 137.49 51.85 Favored 'General case' 0 C--N 1.298 -1.665 0 CA-C-N 115.865 -0.607 . . . . 0.0 109.805 -178.607 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 97.0 mttt -94.94 166.11 12.12 Favored 'General case' 0 C--N 1.307 -1.265 0 N-CA-C 108.648 -0.871 . . . . 0.0 108.648 176.725 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 5' ' ' TRP . . . . . . . . . . . . . 19.4 p-90 -68.33 -19.7 64.68 Favored 'General case' 0 N--CA 1.487 1.395 0 CA-C-O 122.263 1.03 . . . . 0.0 110.155 -177.142 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 6' ' ' MET . . . . . 0.465 ' HG3' ' CD1' ' A' ' 7' ' ' TRP . 23.3 ptp -79.09 -7.98 58.59 Favored 'General case' 0 C--N 1.309 -1.166 0 CA-C-N 114.623 -1.171 . . . . 0.0 110.282 -179.834 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 7' ' ' TRP . . . . . 0.465 ' CD1' ' HG3' ' A' ' 6' ' ' MET . 43.1 m0 -112.93 -175.27 2.63 Favored 'General case' 0 N--CA 1.443 -0.788 0 N-CA-C 109.051 -0.722 . . . . 0.0 109.051 -179.887 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 8' ' ' THR . . . . . 0.554 ' HA ' ' HA ' ' A' ' 24' ' ' TRP . 31.4 p -125.32 167.61 14.67 Favored 'General case' 0 C--N 1.299 -1.627 0 CA-C-O 119.044 -0.503 . . . . 0.0 110.432 -176.099 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 9' ' ' CYS . . . . . 0.5 ' HB2' ' O ' ' A' ' 13' ' ' ARG . 28.7 p -133.77 177.26 7.85 Favored 'General case' 0 C--O 1.245 0.862 0 C-N-CA 118.046 -1.461 . . . . 0.0 110.23 174.329 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 14.0 m-20 -148.58 -170.47 3.62 Favored 'General case' 0 CA--C 1.497 -1.069 0 N-CA-C 108.243 -1.021 . . . . 0.0 108.243 -173.686 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 8.6 m -72.79 -26.08 61.39 Favored 'General case' 0 C--N 1.312 -1.03 0 N-CA-C 108.184 -1.043 . . . . 0.0 108.184 174.756 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 20.4 mm-40 -86.65 -51.22 6.26 Favored 'General case' 0 N--CA 1.447 -0.602 0 CA-C-N 114.927 -1.033 . . . . 0.0 110.192 178.708 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 13' ' ' ARG . . . . . 0.5 ' O ' ' HB2' ' A' ' 9' ' ' CYS . 68.7 mtm180 -87.83 111.93 21.93 Favored 'General case' 0 C--N 1.311 -1.071 0 CA-C-N 115.945 -0.57 . . . . 0.0 110.348 -178.642 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 21.6 ptmt -79.43 144.24 34.27 Favored 'General case' 0 C--N 1.303 -1.446 0 N-CA-C 109.654 -0.498 . . . . 0.0 109.654 178.509 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 15' ' ' CYS . . . . . 0.498 ' HB2' ' SG ' ' A' ' 9' ' ' CYS . 14.0 t -95.01 165.66 12.33 Favored 'General case' 0 C--N 1.292 -1.913 0 N-CA-C 107.415 -1.328 . . . . 0.0 107.415 175.754 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 81.0 m -90.52 149.77 22.04 Favored 'General case' 0 C--N 1.296 -1.741 0 CA-C-O 121.009 0.433 . . . . 0.0 112.032 -178.171 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -59.89 139.07 57.62 Favored 'General case' 0 C--O 1.242 0.661 0 CA-C-N 115.771 -0.649 . . . . 0.0 110.583 177.941 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 111.97 -15.86 25.78 Favored Glycine 0 C--N 1.303 -1.257 0 N-CA-C 108.369 -1.893 . . . . 0.0 108.369 -172.89 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 19' ' ' MET . . . . . . . . . . . . . 65.4 mtt -124.74 162.65 23.78 Favored 'General case' 0 N--CA 1.421 -1.884 0 CA-C-N 113.892 -1.154 . . . . 0.0 108.942 177.538 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 58.7 t -106.61 119.54 56.27 Favored 'Isoleucine or valine' 0 C--N 1.275 -2.646 0 N-CA-C 106.834 -1.543 . . . . 0.0 106.834 176.839 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 38.4 t -77.36 106.66 9.24 Favored 'General case' 0 C--N 1.301 -1.524 0 CA-C-N 115.417 -0.811 . . . . 0.0 110.448 -176.067 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 22' ' ' ARG . . . . . 0.415 ' HB3' ' H ' ' A' ' 23' ' ' LEU . 3.4 mmp_? -136.75 -152.17 0.44 Allowed 'General case' 0 C--O 1.281 2.756 0 N-CA-C 108.48 -0.933 . . . . 0.0 108.48 178.014 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 23' ' ' LEU . . . . . 0.415 ' H ' ' HB3' ' A' ' 22' ' ' ARG . 97.2 mt -58.87 -27.86 65.57 Favored 'General case' 0 CA--C 1.503 -0.844 0 CA-C-N 114.087 -1.415 . . . . 0.0 108.943 178.149 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 24' ' ' TRP . . . . . 0.554 ' HA ' ' HA ' ' A' ' 8' ' ' THR . 28.9 p90 -137.93 167.31 22.02 Favored 'General case' 0 N--CA 1.415 -2.204 0 N-CA-C 107.109 -1.441 . . . . 0.0 107.109 169.748 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 54.7 m -85.57 113.06 21.52 Favored 'General case' 0 C--N 1.3 -1.563 0 C-N-CA 120.055 -0.658 . . . . 0.0 110.014 176.344 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 40.1 ttmt -100.49 118.05 35.91 Favored 'General case' 0 N--CA 1.424 -1.758 0 N-CA-C 108.115 -1.069 . . . . 0.0 108.115 -179.342 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 59.9 pttt -80.77 133.24 35.61 Favored 'General case' 0 C--N 1.293 -1.87 0 C-N-CA 120.298 -0.561 . . . . 0.0 110.112 -179.378 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 57.4 tttp -90.16 86.04 6.43 Favored 'General case' 0 C--N 1.284 -2.255 0 CA-C-O 121.998 0.904 . . . . 0.0 108.599 178.67 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 38.5 tp -96.74 0.17 49.12 Favored 'General case' 0 C--N 1.301 -1.541 0 CA-C-N 114.164 -1.38 . . . . 0.0 107.698 179.362 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 30' ' ' TRP . . . . . . . . . . . . . 15.8 t-105 . . . . . 0 N--CA 1.432 -1.331 0 CA-C-N 114.111 -1.404 . . . . 0.0 107.307 178.983 . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' 1' ' ' TYR . . . . . . . . . . . . . 33.7 t80 . . . . . 0 C--O 1.245 0.824 0 N-CA-C 107.845 -1.169 . . . . 0.0 107.845 . . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' 2' ' ' CYS . . . . . . . . . . . . . 19.9 t -126.12 153.39 44.6 Favored 'General case' 0 C--N 1.301 -1.535 0 N-CA-C 109.306 -0.627 . . . . 0.0 109.306 -176.853 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 3' ' ' GLN . . . . . 0.401 ' HB2' ' HA ' ' A' ' 15' ' ' CYS . 13.1 mm100 -83.68 151.74 25.12 Favored 'General case' 0 C--N 1.309 -1.174 0 CA-C-O 121.015 0.436 . . . . 0.0 110.848 -175.508 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 4' ' ' LYS . . . . . 0.458 ' HB3' ' HZ3' ' A' ' 4' ' ' LYS . 7.7 mtpm? -92.07 159.15 15.83 Favored 'General case' 0 C--N 1.307 -1.255 0 N-CA-C 108.384 -0.969 . . . . 0.0 108.384 179.18 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 5' ' ' TRP . . . . . . . . . . . . . 18.0 p90 -67.34 -22.38 65.6 Favored 'General case' 0 N--CA 1.483 1.213 0 CA-C-O 121.075 0.464 . . . . 0.0 111.567 -174.906 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 6' ' ' MET . . . . . . . . . . . . . 27.5 ttt -82.25 -16.4 49.67 Favored 'General case' 0 C--N 1.312 -1.036 0 CA-C-O 121.715 0.769 . . . . 0.0 110.21 179.435 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 7' ' ' TRP . . . . . . . . . . . . . 46.6 m0 -86.64 -170.47 3.09 Favored 'General case' 0 C--N 1.299 -1.593 0 CA-C-N 115.594 -0.73 . . . . 0.0 110.175 179.392 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 8' ' ' THR . . . . . 0.621 ' HB ' ' O ' ' A' ' 23' ' ' LEU . 61.6 p -126.46 167.32 15.74 Favored 'General case' 0 C--N 1.297 -1.711 0 N-CA-C 107.811 -1.181 . . . . 0.0 107.811 178.71 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 9' ' ' CYS . . . . . 0.503 ' SG ' ' HB2' ' A' ' 15' ' ' CYS . 26.6 p -137.81 -178.13 5.11 Favored 'General case' 0 N--CA 1.434 -1.261 0 C-N-CA 118.515 -1.274 . . . . 0.0 111.028 176.327 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 19.6 m-20 -141.18 -165.65 2.01 Favored 'General case' 0 C--N 1.307 -1.275 0 N-CA-C 107.13 -1.433 . . . . 0.0 107.13 -178.031 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 15.1 m -75.98 -29.92 58.4 Favored 'General case' 0 N--CA 1.431 -1.403 0 N-CA-C 107.179 -1.415 . . . . 0.0 107.179 168.967 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 36.9 mt-10 -77.5 -71.61 0.4 Allowed 'General case' 0 C--O 1.241 0.613 0 CA-C-N 114.742 -1.117 . . . . 0.0 109.021 178.594 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 13' ' ' ARG . . . . . 0.5 ' O ' ' HB2' ' A' ' 9' ' ' CYS . 67.8 mtm180 -66.69 118.75 10.69 Favored 'General case' 0 CA--C 1.503 -0.83 0 N-CA-C 108.24 -1.022 . . . . 0.0 108.24 177.488 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 7.4 ptpp? -104.86 129.35 53.21 Favored 'General case' 0 C--N 1.295 -1.799 0 CA-C-O 121.312 0.577 . . . . 0.0 111.505 -176.207 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 15' ' ' CYS . . . . . 0.503 ' HB2' ' SG ' ' A' ' 9' ' ' CYS . 5.2 t -86.29 160.7 19.06 Favored 'General case' 0 C--N 1.304 -1.403 0 CA-C-N 115.399 -0.819 . . . . 0.0 108.937 -177.497 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 16' ' ' CYS . . . . . 0.419 ' O ' ' HB2' ' A' ' 19' ' ' MET . 72.2 m -68.36 149.85 48.89 Favored 'General case' 0 C--N 1.307 -1.247 0 N-CA-C 113.387 0.884 . . . . 0.0 113.387 -174.151 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 55.1 mttp -72.55 135.46 45.61 Favored 'General case' 0 N--CA 1.429 -1.504 0 N-CA-C 107.401 -1.333 . . . . 0.0 107.401 173.624 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 103.05 2.05 48.58 Favored Glycine 0 C--N 1.287 -2.151 0 N-CA-C 107.93 -2.068 . . . . 0.0 107.93 -168.408 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 19' ' ' MET . . . . . 0.419 ' HB2' ' O ' ' A' ' 16' ' ' CYS . 62.7 mtt -136.07 163.51 30.15 Favored 'General case' 0 N--CA 1.432 -1.375 0 N-CA-C 106.932 -1.507 . . . . 0.0 106.932 175.281 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 59.4 t -105.92 123.83 60.73 Favored 'Isoleucine or valine' 0 C--N 1.284 -2.274 0 N-CA-C 107.099 -1.445 . . . . 0.0 107.099 178.422 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 19.0 t -91.4 115.28 27.9 Favored 'General case' 0 N--CA 1.425 -1.679 0 CA-C-N 115.821 -0.627 . . . . 0.0 109.323 -177.356 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 22' ' ' ARG . . . . . 0.546 ' HA ' ' NE ' ' A' ' 22' ' ' ARG . 1.8 mmp_? -143.52 -159.36 0.97 Allowed 'General case' 0 C--O 1.263 1.768 0 N-CA-C 108.035 -1.098 . . . . 0.0 108.035 177.956 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 23' ' ' LEU . . . . . 0.621 ' O ' ' HB ' ' A' ' 8' ' ' THR . 50.8 mt -54.33 -29.4 47.83 Favored 'General case' 0 C--O 1.219 -0.527 0 CA-C-N 115.242 -0.89 . . . . 0.0 109.83 175.275 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 24' ' ' TRP . . . . . 0.458 ' HA ' ' HA ' ' A' ' 8' ' ' THR . 24.5 p90 -133.02 160.9 35.82 Favored 'General case' 0 N--CA 1.423 -1.791 0 N-CA-C 107.115 -1.439 . . . . 0.0 107.115 174.122 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 66.6 m -86.51 141.75 28.84 Favored 'General case' 0 C--N 1.311 -1.078 0 C-N-CA 120.573 -0.451 . . . . 0.0 110.028 175.978 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 39.3 ttpt -135.41 144.0 46.28 Favored 'General case' 0 C--N 1.298 -1.644 0 N-CA-C 107.848 -1.167 . . . . 0.0 107.848 -178.174 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 23.8 pttm -69.92 163.4 26.07 Favored 'General case' 0 C--O 1.245 0.859 0 CA-C-O 121.261 0.553 . . . . 0.0 111.339 -179.596 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 26.4 tptp -157.31 152.79 26.45 Favored 'General case' 0 N--CA 1.425 -1.683 0 N-CA-C 105.415 -2.068 . . . . 0.0 105.415 176.05 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 3.2 mm? -105.02 -71.02 0.75 Allowed 'General case' 0 C--N 1.292 -1.92 0 N-CA-C 107.354 -1.35 . . . . 0.0 107.354 175.4 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 30' ' ' TRP . . . . . . . . . . . . . 87.5 m95 . . . . . 0 C--N 1.296 -1.747 0 N-CA-C 105.532 -2.025 . . . . 0.0 105.532 174.172 . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' 1' ' ' TYR . . . . . . . . . . . . . 75.7 m-85 . . . . . 0 CA--C 1.518 -0.261 0 N-CA-C 109.043 -0.725 . . . . 0.0 109.043 . . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' 2' ' ' CYS . . . . . . . . . . . . . 54.0 t -133.96 158.02 44.57 Favored 'General case' 0 N--CA 1.434 -1.256 0 N-CA-C 108.933 -0.766 . . . . 0.0 108.933 -177.164 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 3' ' ' GLN . . . . . 0.476 ' HB2' ' HA ' ' A' ' 15' ' ' CYS . 15.2 mm100 -96.2 129.05 43.6 Favored 'General case' 0 C--N 1.304 -1.382 0 CA-C-O 121.24 0.543 . . . . 0.0 112.231 -177.225 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 66.0 mttm -87.44 171.67 10.38 Favored 'General case' 0 C--N 1.312 -1.049 0 CA-C-N 115.407 -0.815 . . . . 0.0 110.335 -178.71 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 5' ' ' TRP . . . . . . . . . . . . . 39.0 p90 -58.28 -29.39 65.78 Favored 'General case' 0 N--CA 1.477 0.889 0 C-N-CA 124.938 1.295 . . . . 0.0 111.019 -179.019 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 6' ' ' MET . . . . . 0.41 ' HG3' ' CD1' ' A' ' 7' ' ' TRP . 24.8 ptm -84.69 -8.0 59.02 Favored 'General case' 0 C--N 1.31 -1.124 0 CA-C-N 115.104 -0.953 . . . . 0.0 111.78 -177.157 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 7' ' ' TRP . . . . . 0.41 ' CD1' ' HG3' ' A' ' 6' ' ' MET . 47.7 m0 -110.08 -174.94 2.61 Favored 'General case' 0 C--N 1.31 -1.144 0 N-CA-C 109.606 -0.516 . . . . 0.0 109.606 -178.417 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 8' ' ' THR . . . . . 0.506 ' HA ' ' HA ' ' A' ' 24' ' ' TRP . 82.4 p -120.92 169.39 10.5 Favored 'General case' 0 C--N 1.295 -1.802 0 N-CA-C 108.319 -0.993 . . . . 0.0 108.319 -178.922 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 9' ' ' CYS . . . . . 0.655 ' HB2' ' O ' ' A' ' 13' ' ' ARG . 16.1 p -134.62 169.87 16.66 Favored 'General case' 0 N--CA 1.439 -1.001 0 C-N-CA 118.049 -1.46 . . . . 0.0 111.498 178.001 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 42.7 m-20 -141.97 -166.36 2.21 Favored 'General case' 0 C--N 1.313 -0.981 0 N-CA-C 105.835 -1.913 . . . . 0.0 105.835 -179.892 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 43.5 m -70.52 -23.01 62.56 Favored 'General case' 0 C--N 1.312 -1.044 0 CA-C-O 121.574 0.702 . . . . 0.0 109.555 174.518 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 26.7 mt-10 -84.95 -70.22 0.6 Allowed 'General case' 0 C--N 1.319 -0.735 0 CA-C-N 115.183 -0.917 . . . . 0.0 109.762 179.469 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 13' ' ' ARG . . . . . 0.655 ' O ' ' HB2' ' A' ' 9' ' ' CYS . 64.8 mtm180 -75.74 114.19 14.06 Favored 'General case' 0 C--O 1.202 -1.44 0 N-CA-C 108.132 -1.062 . . . . 0.0 108.132 178.62 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 21.5 ptmt -106.71 141.79 37.41 Favored 'General case' 0 C--N 1.305 -1.344 0 CA-C-N 118.905 0.775 . . . . 0.0 112.222 178.001 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 15' ' ' CYS . . . . . 0.566 ' SG ' ' HA ' ' A' ' 21' ' ' CYS . 59.2 m -65.94 150.65 48.29 Favored 'General case' 0 C--O 1.243 0.751 0 C-N-CA 122.817 0.447 . . . . 0.0 110.67 179.111 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 93.9 m -64.62 167.33 7.38 Favored 'General case' 0 C--N 1.309 -1.167 0 N-CA-C 112.732 0.642 . . . . 0.0 112.732 -179.797 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 12.6 mptt -70.26 131.24 43.89 Favored 'General case' 0 N--CA 1.435 -1.181 0 CA-C-O 121.359 0.6 . . . . 0.0 110.851 -177.448 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 100.14 6.29 53.84 Favored Glycine 0 N--CA 1.431 -1.659 0 N-CA-C 109.664 -1.374 . . . . 0.0 109.664 -175.948 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 19' ' ' MET . . . . . . . . . . . . . 63.9 mtt -123.64 159.45 29.29 Favored 'General case' 0 N--CA 1.429 -1.512 0 N-CA-C 109.576 -0.528 . . . . 0.0 109.576 179.027 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 59.6 t -105.81 126.76 61.17 Favored 'Isoleucine or valine' 0 C--N 1.289 -2.024 0 N-CA-C 107.053 -1.462 . . . . 0.0 107.053 179.863 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 21' ' ' CYS . . . . . 0.566 ' HA ' ' SG ' ' A' ' 15' ' ' CYS . 11.2 t -90.99 125.46 35.8 Favored 'General case' 0 C--N 1.305 -1.33 0 N-CA-C 109.269 -0.641 . . . . 0.0 109.269 -176.084 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 22' ' ' ARG . . . . . 0.61 ' HG2' ' H ' ' A' ' 23' ' ' LEU . 44.7 ttt180 -161.76 -163.47 0.97 Allowed 'General case' 0 N--CA 1.425 -1.69 0 N-CA-C 106.237 -1.764 . . . . 0.0 106.237 179.137 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 23' ' ' LEU . . . . . 0.61 ' H ' ' HG2' ' A' ' 22' ' ' ARG . 2.9 mm? -50.77 -21.89 1.86 Allowed 'General case' 0 N--CA 1.475 0.8 0 C-N-CA 123.878 0.871 . . . . 0.0 111.772 177.555 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 24' ' ' TRP . . . . . 0.506 ' HA ' ' HA ' ' A' ' 8' ' ' THR . 19.7 p90 -144.52 158.75 43.61 Favored 'General case' 0 N--CA 1.425 -1.683 0 N-CA-C 107.238 -1.393 . . . . 0.0 107.238 172.498 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 85.2 m -86.68 138.12 31.91 Favored 'General case' 0 C--N 1.315 -0.912 0 CA-C-O 121.226 0.536 . . . . 0.0 110.487 178.421 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 39.5 ttmt -132.84 141.14 48.28 Favored 'General case' 0 C--N 1.294 -1.842 0 N-CA-C 108.109 -1.071 . . . . 0.0 108.109 -178.157 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 97.6 mttt -81.78 153.45 26.47 Favored 'General case' 0 C--N 1.309 -1.178 0 N-CA-C 108.87 -0.789 . . . . 0.0 108.87 176.394 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 22.1 pttp -78.14 137.07 37.99 Favored 'General case' 0 N--CA 1.43 -1.462 0 N-CA-C 108.321 -0.992 . . . . 0.0 108.321 173.902 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 8.0 tt -67.33 -41.62 84.95 Favored 'General case' 0 C--N 1.31 -1.13 0 N-CA-C 110.093 -0.336 . . . . 0.0 110.093 -178.592 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 30' ' ' TRP . . . . . . . . . . . . . 65.4 t-105 . . . . . 0 C--N 1.299 -1.592 0 N-CA-C 109.162 -0.681 . . . . 0.0 109.162 -178.514 . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' 1' ' ' TYR . . . . . . . . . . . . . 51.9 t80 . . . . . 0 N--CA 1.465 0.291 0 N-CA-C 109.357 -0.609 . . . . 0.0 109.357 . . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' 2' ' ' CYS . . . . . . . . . . . . . 17.8 t -88.28 150.28 23.34 Favored 'General case' 0 N--CA 1.438 -1.04 0 N-CA-C 106.367 -1.716 . . . . 0.0 106.367 176.288 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 11.0 mm100 -93.28 139.99 30.03 Favored 'General case' 0 C--N 1.288 -2.076 0 C-N-CA 119.945 -0.702 . . . . 0.0 111.949 -174.546 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 94.1 mttt -94.22 169.38 10.29 Favored 'General case' 0 C--N 1.314 -0.956 0 CA-C-N 115.153 -0.931 . . . . 0.0 109.137 178.907 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 5' ' ' TRP . . . . . . . . . . . . . 46.7 p90 -61.56 -26.67 68.1 Favored 'General case' 0 N--CA 1.477 0.877 0 C-N-CA 123.961 0.905 . . . . 0.0 112.619 -175.992 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 6' ' ' MET . . . . . . . . . . . . . 27.6 ttt -85.59 -11.63 53.51 Favored 'General case' 0 C--N 1.31 -1.148 0 CA-C-O 121.968 0.889 . . . . 0.0 110.249 -178.859 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 7' ' ' TRP . . . . . . . . . . . . . 35.8 m0 -98.71 -176.78 3.45 Favored 'General case' 0 C--N 1.293 -1.884 0 CA-C-N 114.999 -1.001 . . . . 0.0 109.516 -177.767 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 8' ' ' THR . . . . . 0.506 ' HA ' ' HA ' ' A' ' 24' ' ' TRP . 82.4 p -125.97 164.57 20.51 Favored 'General case' 0 C--N 1.304 -1.392 0 N-CA-C 108.295 -1.002 . . . . 0.0 108.295 179.294 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 9' ' ' CYS . . . . . 0.582 ' SG ' ' HB2' ' A' ' 15' ' ' CYS . 30.2 p -136.8 161.99 34.46 Favored 'General case' 0 N--CA 1.444 -0.763 0 C-N-CA 117.767 -1.573 . . . . 0.0 111.012 177.204 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 26.3 m-20 -150.27 -144.18 0.15 Allowed 'General case' 0 C--N 1.32 -0.708 0 N-CA-C 107.71 -1.219 . . . . 0.0 107.71 -179.448 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 15.9 t -75.0 -45.36 42.45 Favored 'General case' 0 CA--C 1.548 0.891 0 CA-C-N 118.184 0.447 . . . . 0.0 111.706 -175.959 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 23.5 mm-40 -82.23 -42.35 19.04 Favored 'General case' 0 C--N 1.322 -0.587 0 CA-C-O 121.401 0.62 . . . . 0.0 111.598 -176.409 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 13' ' ' ARG . . . . . 0.427 ' HA ' ' HE ' ' A' ' 13' ' ' ARG . 2.9 mmp_? -93.99 111.96 23.73 Favored 'General case' 0 C--N 1.297 -1.706 0 N-CA-C 108.537 -0.912 . . . . 0.0 108.537 176.442 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 28.1 mtpp -101.19 140.32 35.65 Favored 'General case' 0 C--N 1.286 -2.184 0 N-CA-C 109.046 -0.724 . . . . 0.0 109.046 -178.7 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 15' ' ' CYS . . . . . 0.582 ' HB2' ' SG ' ' A' ' 9' ' ' CYS . 8.4 t -84.61 162.38 19.78 Favored 'General case' 0 C--N 1.296 -1.748 0 CA-C-N 115.961 -0.563 . . . . 0.0 109.697 -177.031 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 80.2 m -77.98 145.71 35.85 Favored 'General case' 0 C--N 1.297 -1.694 0 CA-C-O 121.258 0.552 . . . . 0.0 111.55 -176.916 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -66.31 140.29 58.1 Favored 'General case' 0 C--N 1.323 -0.543 0 CA-C-N 115.927 -0.578 . . . . 0.0 110.322 177.689 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 112.08 -20.76 21.25 Favored Glycine 0 C--N 1.306 -1.124 0 N-CA-C 108.379 -1.888 . . . . 0.0 108.379 -171.928 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 19' ' ' MET . . . . . . . . . . . . . 63.1 mtt -114.3 173.45 6.44 Favored 'General case' 0 N--CA 1.438 -1.04 0 N-CA-C 107.607 -1.257 . . . . 0.0 107.607 175.953 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 61.1 t -106.41 127.23 61.9 Favored 'Isoleucine or valine' 0 C--N 1.282 -2.333 0 N-CA-C 106.722 -1.584 . . . . 0.0 106.722 175.082 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 25.7 t -83.2 107.58 15.85 Favored 'General case' 0 N--CA 1.425 -1.713 0 N-CA-C 107.353 -1.351 . . . . 0.0 107.353 179.009 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 22' ' ' ARG . . . . . 0.527 ' HG3' ' H ' ' A' ' 23' ' ' LEU . 13.8 tpp180 -139.08 -168.0 2.34 Favored 'General case' 0 C--O 1.273 2.298 0 N-CA-C 107.011 -1.477 . . . . 0.0 107.011 -174.053 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 23' ' ' LEU . . . . . 0.527 ' H ' ' HG3' ' A' ' 22' ' ' ARG . 70.0 mt -48.04 -28.96 3.12 Favored 'General case' 0 N--CA 1.47 0.535 0 C-N-CA 125.043 1.337 . . . . 0.0 110.503 176.234 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 24' ' ' TRP . . . . . 0.506 ' HA ' ' HA ' ' A' ' 8' ' ' THR . 32.0 p90 -141.31 163.9 31.7 Favored 'General case' 0 N--CA 1.415 -2.188 0 N-CA-C 105.432 -2.062 . . . . 0.0 105.432 173.206 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 53.2 m -80.84 128.64 33.89 Favored 'General case' 0 C--N 1.303 -1.419 0 CA-C-N 118.748 0.704 . . . . 0.0 110.693 176.162 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 87.0 tttt -130.86 122.05 26.36 Favored 'General case' 0 C--N 1.289 -2.041 0 CA-C-N 115.505 -0.771 . . . . 0.0 109.087 -174.913 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 27.7 mtpp -64.05 141.88 58.61 Favored 'General case' 0 C--N 1.312 -1.041 0 CA-C-O 121.038 0.447 . . . . 0.0 110.338 179.388 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 23.3 ttpp -104.14 104.94 14.94 Favored 'General case' 0 C--N 1.289 -2.043 0 N-CA-C 108.237 -1.023 . . . . 0.0 108.237 -177.694 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 3.1 mm? -89.29 -23.23 22.35 Favored 'General case' 0 C--N 1.299 -1.61 0 CA-C-O 121.279 0.562 . . . . 0.0 109.681 -179.856 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 30' ' ' TRP . . . . . . . . . . . . . 52.7 t90 . . . . . 0 N--CA 1.43 -1.468 0 N-CA-C 105.73 -1.952 . . . . 0.0 105.73 175.042 . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 3' ' ' GLN . . . . . 0.548 ' HB2' ' HA ' ' A' ' 15' ' ' CYS . 13.5 mm100 . . . . . 0 N--CA 1.434 -1.23 0 CA-C-O 121.579 0.704 . . . . 0.0 111.196 . . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 59.3 mtpt -77.05 173.69 11.51 Favored 'General case' 0 C--N 1.317 -0.833 0 CA-C-N 113.934 -1.484 . . . . 0.0 111.437 -176.565 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 5' ' ' TRP . . . . . . . . . . . . . 12.5 p-90 -61.25 -31.82 71.62 Favored 'General case' 0 N--CA 1.478 0.949 0 N-CA-C 111.974 0.361 . . . . 0.0 111.974 -175.529 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 6' ' ' MET . . . . . . . . . . . . . 22.9 ptp -93.02 8.38 40.18 Favored 'General case' 0 N--CA 1.442 -0.841 0 CA-C-O 121.566 0.698 . . . . 0.0 110.683 -178.386 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 7' ' ' TRP . . . . . . . . . . . . . 38.2 m0 -107.22 -178.37 3.62 Favored 'General case' 0 C--O 1.255 1.37 0 N-CA-C 108.764 -0.828 . . . . 0.0 108.764 179.508 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 8' ' ' THR . . . . . 0.522 ' HA ' ' HA ' ' A' ' 24' ' ' TRP . 66.4 p -130.29 165.1 23.17 Favored 'General case' 0 C--N 1.305 -1.36 0 N-CA-C 108.182 -1.044 . . . . 0.0 108.182 -178.924 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 9' ' ' CYS . . . . . 0.677 ' HB2' ' O ' ' A' ' 13' ' ' ARG . 25.2 p -123.57 -179.67 4.44 Favored 'General case' 0 C--O 1.248 1.002 0 C-N-CA 116.897 -1.921 . . . . 0.0 111.827 176.927 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 10' ' ' ASP . . . . . 0.436 ' CG ' ' H ' ' A' ' 11' ' ' SER . 31.7 t70 -150.37 -167.01 2.7 Favored 'General case' 0 C--N 1.317 -0.808 0 N-CA-C 106.579 -1.638 . . . . 0.0 106.579 -175.779 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 11' ' ' SER . . . . . 0.436 ' H ' ' CG ' ' A' ' 10' ' ' ASP . 14.3 m -72.87 -28.94 62.81 Favored 'General case' 0 C--N 1.307 -1.269 0 N-CA-C 108.823 -0.806 . . . . 0.0 108.823 178.17 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 35.7 mt-10 -93.29 -53.82 3.94 Favored 'General case' 0 N--CA 1.447 -0.621 0 CA-C-N 115.714 -0.675 . . . . 0.0 109.983 177.851 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 13' ' ' ARG . . . . . 0.677 ' O ' ' HB2' ' A' ' 9' ' ' CYS . 55.0 mtm180 -71.26 118.47 14.09 Favored 'General case' 0 C--O 1.217 -0.655 0 CA-C-N 116.126 -0.488 . . . . 0.0 109.879 -179.629 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 99.7 mttt -105.23 143.09 33.89 Favored 'General case' 0 C--N 1.314 -0.966 0 CA-C-N 117.593 0.179 . . . . 0.0 110.806 178.485 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 15' ' ' CYS . . . . . 0.548 ' HA ' ' HB2' ' A' ' 3' ' ' GLN . 82.5 m -75.75 151.35 37.62 Favored 'General case' 0 C--N 1.317 -0.821 0 N-CA-C 109.488 -0.56 . . . . 0.0 109.488 175.98 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 55.3 m -61.81 142.95 57.0 Favored 'General case' 0 C--N 1.309 -1.195 0 N-CA-C 109.701 -0.481 . . . . 0.0 109.701 177.982 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 97.1 mttt -58.76 136.04 57.63 Favored 'General case' 0 C--O 1.241 0.624 0 C-N-CA 122.961 0.504 . . . . 0.0 110.634 -178.47 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 111.94 -16.35 25.58 Favored Glycine 0 C--N 1.305 -1.194 0 N-CA-C 108.83 -1.708 . . . . 0.0 108.83 -174.495 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 19' ' ' MET . . . . . 0.578 ' HG2' ' HA ' ' A' ' 27' ' ' LYS . 71.0 mtm -122.12 161.07 23.78 Favored 'General case' 0 N--CA 1.432 -1.346 0 N-CA-C 107.245 -1.391 . . . . 0.0 107.245 174.999 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 26.9 m -106.86 144.28 16.16 Favored 'Isoleucine or valine' 0 C--N 1.292 -1.933 0 N-CA-C 110.098 -0.334 . . . . 0.0 110.098 -179.678 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 29.8 t -79.92 126.79 31.46 Favored 'General case' 0 C--N 1.306 -1.318 0 N-CA-C 108.952 -0.759 . . . . 0.0 108.952 179.935 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 22' ' ' ARG . . . . . 0.404 ' N ' ' SG ' ' A' ' 9' ' ' CYS . 10.5 tpp180 -159.05 -174.53 4.78 Favored 'General case' 0 C--O 1.278 2.593 0 N-CA-C 106.517 -1.66 . . . . 0.0 106.517 -176.747 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 23' ' ' LEU . . . . . 0.412 ' O ' ' HB ' ' A' ' 8' ' ' THR . 96.0 mt -45.79 -32.88 2.77 Favored 'General case' 0 N--CA 1.471 0.587 0 C-N-CA 123.68 0.792 . . . . 0.0 110.553 174.878 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 24' ' ' TRP . . . . . 0.522 ' HA ' ' HA ' ' A' ' 8' ' ' THR . 12.9 p90 -137.73 161.9 35.32 Favored 'General case' 0 N--CA 1.42 -1.974 0 N-CA-C 105.997 -1.853 . . . . 0.0 105.997 173.343 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 77.8 m -80.49 120.35 24.36 Favored 'General case' 0 C--N 1.307 -1.282 0 CA-C-N 118.514 0.597 . . . . 0.0 110.553 178.945 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 29.1 ttpp -119.59 133.39 55.68 Favored 'General case' 0 C--N 1.306 -1.292 0 CA-C-N 115.958 -0.564 . . . . 0.0 110.158 -175.001 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 27' ' ' LYS . . . . . 0.578 ' HA ' ' HG2' ' A' ' 19' ' ' MET . 60.7 pttt . . . . . 0 C--O 1.242 0.668 0 CA-C-O 121.172 0.51 . . . . 0.0 111.266 177.95 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 3' ' ' GLN . . . . . 0.582 ' HB2' ' HA ' ' A' ' 15' ' ' CYS . 12.2 mm100 . . . . . 0 N--CA 1.435 -1.201 0 CA-C-O 121.115 0.483 . . . . 0.0 111.582 . . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 14.0 mmmm -88.79 170.46 10.74 Favored 'General case' 0 C--N 1.303 -1.422 0 CA-C-N 114.774 -1.103 . . . . 0.0 109.23 179.312 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 5' ' ' TRP . . . . . . . . . . . . . 11.4 p-90 -72.86 -11.79 60.73 Favored 'General case' 0 C--N 1.318 -0.764 0 CA-C-O 121.363 0.601 . . . . 0.0 110.254 -177.417 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 6' ' ' MET . . . . . 0.51 ' HG3' ' CD1' ' A' ' 7' ' ' TRP . 26.6 ptm -88.08 -5.9 58.21 Favored 'General case' 0 C--N 1.31 -1.114 0 CA-C-N 115.641 -0.709 . . . . 0.0 110.031 179.039 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 7' ' ' TRP . . . . . 0.51 ' CD1' ' HG3' ' A' ' 6' ' ' MET . 36.9 m0 -116.96 -174.28 2.55 Favored 'General case' 0 C--O 1.241 0.637 0 CA-C-O 121.251 0.548 . . . . 0.0 109.932 -178.77 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 8' ' ' THR . . . . . 0.616 ' HB ' ' O ' ' A' ' 23' ' ' LEU . 70.1 p -122.66 161.63 23.47 Favored 'General case' 0 C--N 1.298 -1.652 0 N-CA-C 107.66 -1.237 . . . . 0.0 107.66 -179.83 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 9.4 p -121.56 140.2 52.53 Favored 'General case' 0 CA--C 1.499 -0.992 0 C-N-CA 117.326 -1.75 . . . . 0.0 112.077 176.125 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 10' ' ' ASP . . . . . 0.56 ' H ' ' HB2' ' A' ' 13' ' ' ARG . 4.6 m-20 -94.25 -170.58 2.32 Favored 'General case' 0 C--N 1.294 -1.821 0 N-CA-C 107.166 -1.42 . . . . 0.0 107.166 176.307 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 8.0 m -64.67 -45.21 87.67 Favored 'General case' 0 C--N 1.307 -1.275 0 CA-C-O 120.956 0.408 . . . . 0.0 111.29 -175.932 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 38.6 mm-40 -92.33 -1.42 57.07 Favored 'General case' 0 C--N 1.322 -0.614 0 N-CA-C 111.997 0.369 . . . . 0.0 111.997 -178.803 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 13' ' ' ARG . . . . . 0.56 ' HB2' ' H ' ' A' ' 10' ' ' ASP . 6.7 mmp_? -85.53 117.7 24.59 Favored 'General case' 0 CA--C 1.493 -1.22 0 C-N-CA 119.557 -0.857 . . . . 0.0 109.806 177.16 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 59.4 mtpt -91.05 110.3 21.56 Favored 'General case' 0 C--N 1.277 -2.584 0 CA-C-N 114.967 -1.015 . . . . 0.0 109.214 -179.738 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 15' ' ' CYS . . . . . 0.582 ' HA ' ' HB2' ' A' ' 3' ' ' GLN . 18.1 t -79.5 152.39 30.23 Favored 'General case' 0 C--N 1.3 -1.575 0 CA-C-N 114.818 -1.083 . . . . 0.0 108.273 -179.331 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 80.5 m -62.46 147.12 49.73 Favored 'General case' 0 C--N 1.311 -1.068 0 N-CA-C 113.269 0.841 . . . . 0.0 113.269 -174.805 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 85.9 tttt -68.14 128.69 37.48 Favored 'General case' 0 N--CA 1.442 -0.85 0 CA-C-N 115.574 -0.739 . . . . 0.0 110.846 -175.806 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 112.65 -16.47 23.79 Favored Glycine 0 C--N 1.302 -1.357 0 N-CA-C 109.501 -1.44 . . . . 0.0 109.501 -175.193 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 19' ' ' MET . . . . . 0.402 ' HG2' ' HA ' ' A' ' 27' ' ' LYS . 65.2 mtt -103.82 159.72 15.4 Favored 'General case' 0 C--N 1.31 -1.15 0 N-CA-C 107.862 -1.162 . . . . 0.0 107.862 176.828 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 90.8 t -105.84 122.2 59.1 Favored 'Isoleucine or valine' 0 C--N 1.283 -2.315 0 N-CA-C 107.866 -1.161 . . . . 0.0 107.866 177.658 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 28.0 t -77.26 131.31 38.11 Favored 'General case' 0 N--CA 1.425 -1.686 0 N-CA-C 108.56 -0.904 . . . . 0.0 108.56 -179.222 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 22' ' ' ARG . . . . . 0.586 ' HA ' ' HE ' ' A' ' 22' ' ' ARG . 2.1 tpm_? -159.69 -170.79 3.03 Favored 'General case' 0 N--CA 1.415 -2.22 0 N-CA-C 104.775 -2.306 . . . . 0.0 104.775 -177.757 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 23' ' ' LEU . . . . . 0.616 ' O ' ' HB ' ' A' ' 8' ' ' THR . 93.9 mt -51.05 -24.1 3.59 Favored 'General case' 0 N--CA 1.471 0.594 0 C-N-CA 123.219 0.608 . . . . 0.0 110.454 174.374 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 24' ' ' TRP . . . . . 0.513 ' HA ' ' HA ' ' A' ' 8' ' ' THR . 16.5 p90 -135.62 159.14 42.53 Favored 'General case' 0 N--CA 1.425 -1.715 0 N-CA-C 106.512 -1.662 . . . . 0.0 106.512 173.074 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 32.7 m -86.14 129.88 34.7 Favored 'General case' 0 C--N 1.31 -1.142 0 CA-C-N 118.821 0.737 . . . . 0.0 110.37 174.66 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 63.5 tttp -113.81 123.4 49.74 Favored 'General case' 0 C--N 1.298 -1.638 0 N-CA-C 108.105 -1.072 . . . . 0.0 108.105 -176.907 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 27' ' ' LYS . . . . . 0.402 ' HA ' ' HG2' ' A' ' 19' ' ' MET . 23.9 pttm . . . . . 0 C--O 1.25 1.127 0 N-CA-C 108.969 -0.752 . . . . 0.0 108.969 -177.797 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 3' ' ' GLN . . . . . 0.502 ' HG2' ' O ' ' A' ' 14' ' ' LYS . 10.3 mm100 . . . . . 0 N--CA 1.434 -1.226 0 N-CA-C 109.195 -0.669 . . . . 0.0 109.195 . . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 63.6 mttm -83.14 177.18 8.69 Favored 'General case' 0 C--N 1.31 -1.133 0 CA-C-N 115.459 -0.791 . . . . 0.0 109.805 -178.753 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 5' ' ' TRP . . . . . . . . . . . . . 44.3 p90 -65.61 -25.89 67.59 Favored 'General case' 0 C--N 1.323 -0.578 0 N-CA-C 112.573 0.583 . . . . 0.0 112.573 -174.966 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 6' ' ' MET . . . . . . . . . . . . . 56.3 ttp -90.21 -4.03 57.47 Favored 'General case' 0 C--N 1.316 -0.865 0 CA-C-O 122.646 1.212 . . . . 0.0 109.71 179.505 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 7' ' ' TRP . . . . . . . . . . . . . 13.7 m0 -96.08 -176.81 3.8 Favored 'General case' 0 C--N 1.292 -1.916 0 CA-C-N 114.539 -1.21 . . . . 0.0 109.077 -178.697 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 8' ' ' THR . . . . . 0.619 ' HA ' ' HA ' ' A' ' 24' ' ' TRP . 38.3 p -132.11 154.65 49.26 Favored 'General case' 0 C--N 1.298 -1.672 0 N-CA-C 108.18 -1.045 . . . . 0.0 108.18 -178.219 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 9' ' ' CYS . . . . . 0.433 ' HB2' ' O ' ' A' ' 13' ' ' ARG . 26.6 p -128.18 176.75 7.42 Favored 'General case' 0 C--O 1.249 1.073 0 C-N-CA 117.319 -1.752 . . . . 0.0 112.494 -179.76 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 14.1 m-20 -148.52 -166.98 2.69 Favored 'General case' 0 C--N 1.309 -1.164 0 N-CA-C 106.815 -1.55 . . . . 0.0 106.815 -177.762 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 12.6 t -74.85 -36.84 62.33 Favored 'General case' 0 N--CA 1.426 -1.672 0 N-CA-C 107.414 -1.328 . . . . 0.0 107.414 174.587 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 46.1 mt-10 -73.93 -57.01 4.26 Favored 'General case' 0 N--CA 1.451 -0.4 0 CA-C-N 115.825 -0.625 . . . . 0.0 111.019 177.53 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 13' ' ' ARG . . . . . 0.433 ' O ' ' HB2' ' A' ' 9' ' ' CYS . 70.9 mtm180 -76.47 112.0 12.53 Favored 'General case' 0 C--N 1.324 -0.531 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.178 -178.903 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 14' ' ' LYS . . . . . 0.502 ' O ' ' HG2' ' A' ' 3' ' ' GLN . 75.1 mmtt -87.05 141.32 28.75 Favored 'General case' 0 CA--C 1.492 -1.262 0 CA-C-O 121.219 0.533 . . . . 0.0 110.659 -177.03 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 22.5 t -94.05 160.05 14.89 Favored 'General case' 0 C--N 1.27 -2.854 0 CA-C-N 115.188 -0.915 . . . . 0.0 109.133 -176.747 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 16' ' ' CYS . . . . . 0.438 ' HB2' ' SD ' ' A' ' 19' ' ' MET . 79.1 m -70.75 153.98 42.27 Favored 'General case' 0 C--O 1.254 1.312 0 CA-C-O 121.561 0.696 . . . . 0.0 112.178 -177.635 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 27.2 ttpp -66.83 137.59 56.71 Favored 'General case' 0 C--O 1.247 0.937 0 N-CA-C 108.688 -0.856 . . . . 0.0 108.688 177.445 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 95.98 5.87 59.45 Favored Glycine 0 N--CA 1.432 -1.623 0 N-CA-C 109.88 -1.288 . . . . 0.0 109.88 -176.26 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 19' ' ' MET . . . . . 0.438 ' SD ' ' HB2' ' A' ' 16' ' ' CYS . 52.6 mtt -125.35 160.7 28.71 Favored 'General case' 0 N--CA 1.432 -1.372 0 N-CA-C 109.624 -0.51 . . . . 0.0 109.624 176.323 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 20' ' ' VAL . . . . . 0.492 ' HB ' ' HB3' ' A' ' 26' ' ' LYS . 77.0 t -106.91 125.8 62.92 Favored 'Isoleucine or valine' 0 C--N 1.278 -2.521 0 N-CA-C 106.684 -1.599 . . . . 0.0 106.684 178.78 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 18.8 t -81.59 131.97 35.29 Favored 'General case' 0 C--N 1.304 -1.406 0 C-N-CA 120.519 -0.472 . . . . 0.0 109.737 -177.414 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 22' ' ' ARG . . . . . 0.481 ' HG3' ' H ' ' A' ' 23' ' ' LEU . 16.2 tpp180 -158.18 -169.84 2.93 Favored 'General case' 0 C--O 1.278 2.558 0 N-CA-C 105.377 -2.083 . . . . 0.0 105.377 -177.523 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 23' ' ' LEU . . . . . 0.55 ' O ' ' HB ' ' A' ' 8' ' ' THR . 92.3 mt -52.01 -29.39 20.67 Favored 'General case' 0 N--CA 1.471 0.594 0 CA-C-O 121.052 0.454 . . . . 0.0 110.134 174.817 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 24' ' ' TRP . . . . . 0.619 ' HA ' ' HA ' ' A' ' 8' ' ' THR . 27.3 p90 -130.88 167.84 18.28 Favored 'General case' 0 N--CA 1.427 -1.588 0 N-CA-C 106.106 -1.813 . . . . 0.0 106.106 173.252 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 34.3 m -86.88 127.81 35.05 Favored 'General case' 0 C--N 1.3 -1.544 0 C-N-CA 119.159 -1.017 . . . . 0.0 111.438 176.025 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 26' ' ' LYS . . . . . 0.492 ' HB3' ' HB ' ' A' ' 20' ' ' VAL . 84.9 tttt -109.19 151.41 26.52 Favored 'General case' 0 C--N 1.294 -1.834 0 N-CA-C 107.098 -1.445 . . . . 0.0 107.098 -178.292 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 92.4 mttt . . . . . 0 C--N 1.29 -2.005 0 N-CA-C 109.578 -0.527 . . . . 0.0 109.578 179.893 . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 3' ' ' GLN . . . . . 0.581 ' N ' ' HG ' ' A' ' 16' ' ' CYS . 13.5 mm100 . . . . . 0 N--CA 1.428 -1.567 0 CA-C-O 121.099 0.476 . . . . 0.0 111.515 . . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 94.3 mttt -94.36 168.8 10.66 Favored 'General case' 0 C--N 1.307 -1.25 0 CA-C-N 114.882 -1.054 . . . . 0.0 108.388 179.254 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 5' ' ' TRP . . . . . . . . . . . . . 29.7 p-90 -62.57 -24.06 67.34 Favored 'General case' 0 N--CA 1.484 1.234 0 CA-C-O 121.834 0.826 . . . . 0.0 109.78 179.318 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 6' ' ' MET . . . . . . . . . . . . . 49.1 ttm -78.74 -24.66 44.68 Favored 'General case' 0 N--CA 1.425 -1.717 0 CA-C-N 114.22 -1.355 . . . . 0.0 111.013 -175.621 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 7' ' ' TRP . . . . . . . . . . . . . 38.5 m0 -94.46 174.77 6.96 Favored 'General case' 0 C--N 1.304 -1.411 0 CA-C-N 116.013 -0.54 . . . . 0.0 110.325 -178.11 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 8' ' ' THR . . . . . 0.549 HG22 ' HA ' ' A' ' 24' ' ' TRP . 75.1 p -122.17 173.94 7.27 Favored 'General case' 0 C--N 1.29 -2.018 0 N-CA-C 108.905 -0.776 . . . . 0.0 108.905 -176.185 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 9' ' ' CYS . . . . . 0.697 ' HB3' ' SG ' ' A' ' 15' ' ' CYS . 11.4 p -120.51 169.21 10.56 Favored 'General case' 0 C--O 1.251 1.141 0 C-N-CA 117.093 -1.843 . . . . 0.0 110.406 174.602 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 24.4 m-20 -137.42 -152.54 0.44 Allowed 'General case' 0 C--N 1.31 -1.114 0 N-CA-C 104.704 -2.332 . . . . 0.0 104.704 178.964 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 50.4 m -78.52 -38.02 41.65 Favored 'General case' 0 C--N 1.312 -1.057 0 C-N-CA 119.569 -0.852 . . . . 0.0 110.263 174.083 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 2.5 mp0 -87.13 -55.7 3.7 Favored 'General case' 0 C--O 1.233 0.223 0 C-N-CA 120.665 -0.414 . . . . 0.0 112.053 -178.987 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 13' ' ' ARG . . . . . 0.552 ' O ' ' HB2' ' A' ' 9' ' ' CYS . 57.1 mtm180 -71.18 111.59 6.65 Favored 'General case' 0 CA--C 1.505 -0.752 0 N-CA-C 108.153 -1.054 . . . . 0.0 108.153 175.035 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 23.0 pttp -106.2 148.3 28.06 Favored 'General case' 0 C--N 1.298 -1.631 0 N-CA-C 109.917 -0.401 . . . . 0.0 109.917 176.496 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 15' ' ' CYS . . . . . 0.697 ' SG ' ' HB3' ' A' ' 9' ' ' CYS . 61.2 m -75.52 147.72 39.53 Favored 'General case' 0 C--N 1.307 -1.259 0 N-CA-C 109.096 -0.705 . . . . 0.0 109.096 178.671 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 16' ' ' CYS . . . . . 0.581 ' HG ' ' N ' ' A' ' 3' ' ' GLN . 74.2 m -72.18 162.18 29.83 Favored 'General case' 0 C--N 1.306 -1.299 0 CA-C-O 120.635 0.255 . . . . 0.0 111.566 -178.221 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 65.1 tttm -62.08 131.7 50.41 Favored 'General case' 0 N--CA 1.442 -0.866 0 N-CA-C 109.387 -0.597 . . . . 0.0 109.387 179.229 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 112.29 -11.64 26.36 Favored Glycine 0 C--N 1.301 -1.389 0 N-CA-C 108.16 -1.976 . . . . 0.0 108.16 -171.622 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 19' ' ' MET . . . . . . . . . . . . . 65.0 mtt -134.11 157.36 46.37 Favored 'General case' 0 N--CA 1.429 -1.518 0 N-CA-C 106.803 -1.554 . . . . 0.0 106.803 175.569 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 29.3 m -108.53 141.7 23.09 Favored 'Isoleucine or valine' 0 C--N 1.279 -2.461 0 N-CA-C 108.764 -0.828 . . . . 0.0 108.764 174.001 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 21' ' ' CYS . . . . . 0.417 ' HA ' ' SG ' ' A' ' 15' ' ' CYS . 46.7 t -68.75 110.15 4.18 Favored 'General case' 0 N--CA 1.439 -0.996 0 N-CA-C 107.027 -1.471 . . . . 0.0 107.027 177.973 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 6.4 tpt180 -145.27 -169.92 3.31 Favored 'General case' 0 C--O 1.281 2.752 0 N-CA-C 108.228 -1.027 . . . . 0.0 108.228 -174.759 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 23' ' ' LEU . . . . . 0.452 ' O ' ' HB ' ' A' ' 8' ' ' THR . 82.7 mt -47.29 -45.55 24.28 Favored 'General case' 0 N--CA 1.483 1.217 0 C-N-CA 124.159 0.984 . . . . 0.0 108.975 179.263 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 24' ' ' TRP . . . . . 0.549 ' HA ' HG22 ' A' ' 8' ' ' THR . 37.2 p90 -131.76 159.59 38.02 Favored 'General case' 0 N--CA 1.416 -2.148 0 N-CA-C 104.804 -2.295 . . . . 0.0 104.804 170.481 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 93.4 m -66.98 112.59 4.42 Favored 'General case' 0 C--N 1.314 -0.977 0 CA-C-O 121.847 0.832 . . . . 0.0 110.392 -179.497 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 63.1 tttm -107.8 125.75 51.8 Favored 'General case' 0 N--CA 1.421 -1.917 0 CA-C-N 114.716 -1.129 . . . . 0.0 110.098 -172.571 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 33.5 mmtp . . . . . 0 CA--C 1.499 -0.987 0 CA-C-O 121.992 0.901 . . . . 0.0 112.163 179.008 . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 3' ' ' GLN . . . . . 0.473 ' HB2' ' HA ' ' A' ' 15' ' ' CYS . 12.4 mm100 . . . . . 0 CA--C 1.51 -0.564 0 CA-C-O 121.144 0.497 . . . . 0.0 112.174 . . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 4' ' ' LYS . . . . . 0.432 ' HE2' ' CH2' ' A' ' 7' ' ' TRP . 54.5 mttm -95.01 168.43 10.78 Favored 'General case' 0 C--N 1.31 -1.132 0 CA-C-N 114.684 -1.144 . . . . 0.0 108.255 179.461 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 5' ' ' TRP . . . . . . . . . . . . . 27.0 p-90 -63.66 -23.81 67.53 Favored 'General case' 0 N--CA 1.494 1.763 0 CA-C-O 121.755 0.788 . . . . 0.0 110.573 -178.889 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 6' ' ' MET . . . . . . . . . . . . . 52.0 ttp -78.09 -18.85 55.21 Favored 'General case' 0 N--CA 1.43 -1.469 0 CA-C-N 114.717 -1.129 . . . . 0.0 110.358 -178.875 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 7' ' ' TRP . . . . . 0.432 ' CH2' ' HE2' ' A' ' 4' ' ' LYS . 51.9 m0 -103.88 172.72 6.65 Favored 'General case' 0 C--N 1.302 -1.481 0 CA-C-N 115.405 -0.816 . . . . 0.0 109.771 -178.036 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 8' ' ' THR . . . . . 0.629 ' HB ' ' O ' ' A' ' 23' ' ' LEU . 73.1 p -110.98 169.93 8.44 Favored 'General case' 0 C--N 1.293 -1.859 0 N-CA-C 108.081 -1.081 . . . . 0.0 108.081 179.452 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 9' ' ' CYS . . . . . 0.427 ' SG ' ' HB2' ' A' ' 15' ' ' CYS . 26.4 p -133.6 177.01 8.03 Favored 'General case' 0 C--O 1.244 0.788 0 C-N-CA 117.281 -1.767 . . . . 0.0 112.088 178.672 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 4.9 m-20 -147.0 -164.7 2.06 Favored 'General case' 0 CA--C 1.498 -1.023 0 N-CA-C 108.385 -0.969 . . . . 0.0 108.385 -175.998 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 19.4 p -69.68 -43.16 73.07 Favored 'General case' 0 N--CA 1.433 -1.302 0 N-CA-C 109.825 -0.435 . . . . 0.0 109.825 176.645 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 42.3 mt-10 -89.82 -39.38 13.13 Favored 'General case' 0 N--CA 1.44 -0.966 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.774 -179.698 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 63.2 mtm180 -73.18 111.47 8.33 Favored 'General case' 0 C--O 1.237 0.397 0 C-N-CA 119.17 -1.012 . . . . 0.0 109.016 176.267 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 58.0 mtpt -85.02 127.0 34.01 Favored 'General case' 0 C--N 1.308 -1.238 0 CA-C-N 115.468 -0.787 . . . . 0.0 111.119 -173.406 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 15' ' ' CYS . . . . . 0.473 ' HA ' ' HB2' ' A' ' 3' ' ' GLN . 22.9 t -94.21 141.79 28.15 Favored 'General case' 0 C--N 1.3 -1.581 0 N-CA-C 107.898 -1.149 . . . . 0.0 107.898 177.684 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 80.7 m -69.6 142.81 53.46 Favored 'General case' 0 C--N 1.293 -1.873 0 CA-C-O 121.246 0.546 . . . . 0.0 111.629 -175.871 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 57.4 mttp -64.1 140.39 58.86 Favored 'General case' 0 CA--C 1.507 -0.677 0 N-CA-C 109.469 -0.567 . . . . 0.0 109.469 176.91 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 112.46 -13.03 25.64 Favored Glycine 0 C--N 1.29 -1.976 0 N-CA-C 107.813 -2.115 . . . . 0.0 107.813 -171.081 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 19' ' ' MET . . . . . 0.492 ' HG2' ' HA ' ' A' ' 27' ' ' LYS . 60.4 mtm -127.37 162.99 25.0 Favored 'General case' 0 N--CA 1.423 -1.787 0 CA-C-N 113.481 -1.359 . . . . 0.0 108.129 174.076 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 57.8 t -105.85 128.68 59.9 Favored 'Isoleucine or valine' 0 C--N 1.289 -2.065 0 N-CA-C 106.832 -1.544 . . . . 0.0 106.832 179.492 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 32.8 t -87.04 131.35 34.13 Favored 'General case' 0 N--CA 1.428 -1.532 0 N-CA-C 109.339 -0.615 . . . . 0.0 109.339 -176.992 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 22' ' ' ARG . . . . . 0.419 ' HG3' ' H ' ' A' ' 23' ' ' LEU . 12.7 tpt180 -169.21 -156.02 0.15 Allowed 'General case' 0 C--O 1.284 2.88 0 N-CA-C 105.952 -1.87 . . . . 0.0 105.952 179.792 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 23' ' ' LEU . . . . . 0.629 ' O ' ' HB ' ' A' ' 8' ' ' THR . 6.7 tt -48.44 -37.0 16.06 Favored 'General case' 0 C--O 1.212 -0.912 0 C-N-CA 124.043 0.937 . . . . 0.0 109.05 177.597 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 24' ' ' TRP . . . . . 0.453 ' HA ' ' HA ' ' A' ' 8' ' ' THR . 21.6 p90 -135.07 165.88 24.34 Favored 'General case' 0 N--CA 1.434 -1.245 0 N-CA-C 107.232 -1.396 . . . . 0.0 107.232 173.829 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 55.4 m -85.67 113.31 21.77 Favored 'General case' 0 C--N 1.315 -0.906 0 CA-C-N 118.197 0.453 . . . . 0.0 109.907 174.857 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 62.3 tttp -99.22 118.16 35.29 Favored 'General case' 0 C--N 1.305 -1.369 0 N-CA-C 108.834 -0.802 . . . . 0.0 108.834 -177.855 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 27' ' ' LYS . . . . . 0.492 ' HA ' ' HG2' ' A' ' 19' ' ' MET . 59.7 pttt . . . . . 0 C--N 1.302 -1.465 0 N-CA-C 112.973 0.731 . . . . 0.0 112.973 -176.055 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 3' ' ' GLN . . . . . 0.52 ' HB2' ' HA ' ' A' ' 15' ' ' CYS . 11.3 mm100 . . . . . 0 N--CA 1.437 -1.124 0 CA-C-O 121.354 0.597 . . . . 0.0 111.767 . . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 49.6 mtmt -90.88 172.52 8.55 Favored 'General case' 0 C--N 1.31 -1.126 0 CA-C-N 115.086 -0.961 . . . . 0.0 109.12 178.736 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 5' ' ' TRP . . . . . . . . . . . . . 47.9 p90 -67.04 -24.27 65.97 Favored 'General case' 0 C--N 1.315 -0.921 0 C-N-CA 123.127 0.571 . . . . 0.0 112.326 -176.836 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 6' ' ' MET . . . . . . . . . . . . . 58.6 ttp -82.33 -21.52 35.98 Favored 'General case' 0 C--N 1.323 -0.55 0 CA-C-O 122.255 1.026 . . . . 0.0 108.977 178.583 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 7' ' ' TRP . . . . . . . . . . . . . 46.2 m0 -87.93 174.59 8.23 Favored 'General case' 0 C--N 1.288 -2.086 0 CA-C-N 114.268 -1.333 . . . . 0.0 109.602 -179.248 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 8' ' ' THR . . . . . 0.539 ' HA ' ' HA ' ' A' ' 24' ' ' TRP . 71.9 p -125.95 167.61 15.05 Favored 'General case' 0 C--N 1.276 -2.612 0 N-CA-C 107.146 -1.427 . . . . 0.0 107.146 -176.417 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 9' ' ' CYS . . . . . 0.654 ' HB2' ' O ' ' A' ' 13' ' ' ARG . 20.2 p -120.05 175.49 5.9 Favored 'General case' 0 N--CA 1.435 -1.195 0 C-N-CA 116.539 -2.064 . . . . 0.0 110.789 178.984 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 30.0 m-20 -136.81 -165.72 1.78 Allowed 'General case' 0 C--N 1.309 -1.153 0 N-CA-C 106.44 -1.689 . . . . 0.0 106.44 -179.116 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 1.8 p -75.03 -35.23 61.93 Favored 'General case' 0 C--N 1.286 -2.184 0 CA-C-O 121.589 0.709 . . . . 0.0 109.576 173.102 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 9.3 pt-20 -84.84 -40.74 16.78 Favored 'General case' 0 C--N 1.32 -0.699 0 CA-C-N 115.426 -0.807 . . . . 0.0 111.443 179.473 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 13' ' ' ARG . . . . . 0.654 ' O ' ' HB2' ' A' ' 9' ' ' CYS . 83.6 mtm180 -98.89 115.83 29.76 Favored 'General case' 0 C--O 1.206 -1.223 0 N-CA-C 109.181 -0.674 . . . . 0.0 109.181 -179.844 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 38.4 mtmm -105.64 152.34 23.25 Favored 'General case' 0 C--N 1.298 -1.652 0 CA-C-O 120.754 0.311 . . . . 0.0 110.558 179.213 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 15' ' ' CYS . . . . . 0.591 ' SG ' ' HA ' ' A' ' 21' ' ' CYS . 55.7 m -75.29 153.66 37.81 Favored 'General case' 0 C--N 1.312 -1.034 0 N-CA-C 109.081 -0.711 . . . . 0.0 109.081 178.736 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 41.1 m -64.16 162.36 14.57 Favored 'General case' 0 C--O 1.25 1.091 0 CA-C-O 120.903 0.383 . . . . 0.0 111.433 -178.022 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 29.8 mtpp -63.98 126.47 27.78 Favored 'General case' 0 C--N 1.324 -0.51 0 N-CA-C 109.382 -0.599 . . . . 0.0 109.382 176.768 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 112.16 -7.22 27.03 Favored Glycine 0 C--N 1.306 -1.1 0 N-CA-C 109.833 -1.307 . . . . 0.0 109.833 -174.001 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 19' ' ' MET . . . . . . . . . . . . . 66.6 mtt -126.33 158.66 35.27 Favored 'General case' 0 C--N 1.308 -1.209 0 N-CA-C 108.236 -1.024 . . . . 0.0 108.236 176.46 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 11.2 p -107.02 135.78 44.33 Favored 'Isoleucine or valine' 0 C--N 1.29 -1.999 0 N-CA-C 108.359 -0.978 . . . . 0.0 108.359 175.661 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 21' ' ' CYS . . . . . 0.591 ' HA ' ' SG ' ' A' ' 15' ' ' CYS . 49.8 t -76.46 113.86 14.54 Favored 'General case' 0 N--CA 1.431 -1.408 0 N-CA-C 107.771 -1.196 . . . . 0.0 107.771 178.829 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 22' ' ' ARG . . . . . 0.496 ' HA ' ' HE ' ' A' ' 22' ' ' ARG . 1.1 tpm_? -144.1 -169.41 3.11 Favored 'General case' 0 C--O 1.276 2.483 0 N-CA-C 107.043 -1.466 . . . . 0.0 107.043 -177.55 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 23' ' ' LEU . . . . . 0.492 ' H ' ' HG3' ' A' ' 22' ' ' ARG . 85.2 mt -55.52 -19.95 11.45 Favored 'General case' 0 C--O 1.219 -0.508 0 C-N-CA 123.866 0.867 . . . . 0.0 110.722 175.825 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 24' ' ' TRP . . . . . 0.539 ' HA ' ' HA ' ' A' ' 8' ' ' THR . 18.0 p90 -145.13 162.33 37.3 Favored 'General case' 0 N--CA 1.419 -2.004 0 N-CA-C 105.244 -2.132 . . . . 0.0 105.244 170.079 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 93.9 m -81.83 112.93 19.42 Favored 'General case' 0 C--N 1.303 -1.419 0 CA-C-N 119.058 0.845 . . . . 0.0 110.659 177.923 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 86.7 tttt -107.22 133.83 51.22 Favored 'General case' 0 C--N 1.294 -1.836 0 CA-C-N 115.059 -0.973 . . . . 0.0 109.342 -174.759 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 61.0 pttt . . . . . 0 C--N 1.301 -1.509 0 CA-C-O 120.928 0.394 . . . . 0.0 110.649 179.954 . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 3' ' ' GLN . . . . . 0.569 ' N ' ' HG ' ' A' ' 16' ' ' CYS . 15.1 mm100 . . . . . 0 CA--C 1.502 -0.871 0 N-CA-C 108.316 -0.994 . . . . 0.0 108.316 . . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 98.5 mttt -91.11 163.16 14.38 Favored 'General case' 0 C--N 1.299 -1.598 0 CA-C-O 121.001 0.429 . . . . 0.0 110.102 178.094 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 5' ' ' TRP . . . . . . . . . . . . . 42.7 p90 -62.59 -26.03 68.39 Favored 'General case' 0 C--N 1.306 -1.297 0 C-N-CA 124.628 1.171 . . . . 0.0 110.648 178.264 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 6' ' ' MET . . . . . 0.544 ' HG3' ' CD1' ' A' ' 7' ' ' TRP . 26.2 ptm -78.27 -10.15 59.54 Favored 'General case' 0 C--N 1.321 -0.662 0 CA-C-N 115.272 -0.876 . . . . 0.0 110.459 179.812 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 7' ' ' TRP . . . . . 0.544 ' CD1' ' HG3' ' A' ' 6' ' ' MET . 40.7 m0 -108.6 -172.18 2.0 Favored 'General case' 0 N--CA 1.437 -1.1 0 N-CA-C 108.425 -0.954 . . . . 0.0 108.425 179.869 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 8' ' ' THR . . . . . 0.65 ' HB ' ' O ' ' A' ' 23' ' ' LEU . 70.7 p -124.68 172.79 9.0 Favored 'General case' 0 C--N 1.291 -1.943 0 N-CA-C 108.882 -0.784 . . . . 0.0 108.882 -176.748 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 9' ' ' CYS . . . . . 0.673 ' SG ' ' HB2' ' A' ' 15' ' ' CYS . 29.9 p -140.64 179.31 6.76 Favored 'General case' 0 C--O 1.251 1.134 0 C-N-CA 118.381 -1.328 . . . . 0.0 111.441 175.697 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 10' ' ' ASP . . . . . 0.456 ' CG ' ' H ' ' A' ' 11' ' ' SER . 29.8 t70 -159.46 -159.96 0.79 Allowed 'General case' 0 C--N 1.313 -0.998 0 N-CA-C 106.899 -1.519 . . . . 0.0 106.899 -176.631 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 11' ' ' SER . . . . . 0.456 ' H ' ' CG ' ' A' ' 10' ' ' ASP . 14.7 m -80.03 -30.06 39.42 Favored 'General case' 0 N--CA 1.425 -1.699 0 N-CA-C 109.047 -0.723 . . . . 0.0 109.047 177.459 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 11.8 pt-20 -79.17 -46.29 18.22 Favored 'General case' 0 CA--C 1.536 0.409 0 CA-C-N 115.978 -0.556 . . . . 0.0 110.766 178.694 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 13' ' ' ARG . . . . . 0.554 ' O ' ' HB2' ' A' ' 9' ' ' CYS . 5.5 mmp_? -99.1 111.82 24.11 Favored 'General case' 0 CA--C 1.486 -1.519 0 N-CA-C 109.357 -0.608 . . . . 0.0 109.357 174.056 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 34.2 mmtp -89.5 137.13 32.59 Favored 'General case' 0 C--N 1.278 -2.518 0 CA-C-O 121.198 0.523 . . . . 0.0 109.961 178.665 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 15' ' ' CYS . . . . . 0.673 ' HB2' ' SG ' ' A' ' 9' ' ' CYS . 8.9 t -83.46 154.6 23.84 Favored 'General case' 0 C--N 1.288 -2.102 0 CA-C-N 115.201 -0.909 . . . . 0.0 108.595 -179.368 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 16' ' ' CYS . . . . . 0.569 ' HG ' ' N ' ' A' ' 3' ' ' GLN . 55.8 m -84.02 157.98 21.64 Favored 'General case' 0 C--N 1.289 -2.047 0 CA-C-O 121.123 0.487 . . . . 0.0 111.487 -175.227 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 53.9 mtmt -63.77 142.43 58.41 Favored 'General case' 0 N--CA 1.438 -1.029 0 CA-C-N 115.27 -0.877 . . . . 0.0 109.903 179.652 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 112.16 -21.92 19.14 Favored Glycine 0 C--N 1.3 -1.454 0 N-CA-C 108.246 -1.941 . . . . 0.0 108.246 -173.419 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 19' ' ' MET . . . . . 0.46 ' HG3' ' HA ' ' A' ' 27' ' ' LYS . 4.4 mpp? -123.67 168.17 13.02 Favored 'General case' 0 N--CA 1.425 -1.676 0 N-CA-C 108.644 -0.873 . . . . 0.0 108.644 175.213 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 45.1 t -106.25 131.79 55.03 Favored 'Isoleucine or valine' 0 C--N 1.287 -2.13 0 N-CA-C 105.87 -1.9 . . . . 0.0 105.87 176.341 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 10.0 t -79.47 135.15 36.58 Favored 'General case' 0 N--CA 1.426 -1.641 0 N-CA-C 108.174 -1.047 . . . . 0.0 108.174 179.922 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 22' ' ' ARG . . . . . 0.498 ' HG3' ' H ' ' A' ' 23' ' ' LEU . 25.2 tpt180 -166.81 -172.17 2.03 Favored 'General case' 0 N--CA 1.417 -2.081 0 N-CA-C 105.5 -2.037 . . . . 0.0 105.5 -174.995 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 23' ' ' LEU . . . . . 0.65 ' O ' ' HB ' ' A' ' 8' ' ' THR . 65.7 tp -48.55 -30.31 5.15 Favored 'General case' 0 C--O 1.215 -0.758 0 C-N-CA 123.521 0.728 . . . . 0.0 110.399 174.837 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 24' ' ' TRP . . . . . 0.532 ' HA ' ' HA ' ' A' ' 8' ' ' THR . 29.2 p90 -135.9 161.41 35.7 Favored 'General case' 0 N--CA 1.434 -1.267 0 N-CA-C 106.684 -1.599 . . . . 0.0 106.684 173.389 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 53.6 m -80.5 112.77 18.16 Favored 'General case' 0 C--N 1.312 -1.033 0 C-N-CA 119.647 -0.821 . . . . 0.0 110.411 176.65 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 40.5 ttmt -95.68 122.95 38.98 Favored 'General case' 0 C--N 1.302 -1.487 0 CA-C-N 115.508 -0.769 . . . . 0.0 109.591 -177.892 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 27' ' ' LYS . . . . . 0.46 ' HA ' ' HG3' ' A' ' 19' ' ' MET . 27.9 mtpp . . . . . 0 CA--C 1.501 -0.938 0 N-CA-C 109.659 -0.497 . . . . 0.0 109.659 177.521 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 3' ' ' GLN . . . . . 0.445 ' HB2' ' HA ' ' A' ' 15' ' ' CYS . 14.9 mm100 . . . . . 0 N--CA 1.427 -1.6 0 CA-C-O 120.922 0.392 . . . . 0.0 110.326 . . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 94.9 mttt -87.67 167.1 14.17 Favored 'General case' 0 C--N 1.298 -1.663 0 CA-C-N 114.902 -1.045 . . . . 0.0 109.609 -177.788 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 5' ' ' TRP . . . . . . . . . . . . . 4.3 p-90 -57.11 -31.44 65.29 Favored 'General case' 0 C--N 1.318 -0.78 0 C-N-CA 123.925 0.89 . . . . 0.0 113.29 -175.363 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 6' ' ' MET . . . . . . . . . . . . . 61.9 ttp -76.55 -25.83 54.47 Favored 'General case' 0 C--N 1.329 -0.316 0 C-N-CA 119.872 -0.731 . . . . 0.0 110.311 -179.897 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 7' ' ' TRP . . . . . . . . . . . . . 49.6 m0 -87.83 -177.84 5.9 Favored 'General case' 0 C--N 1.291 -1.955 0 CA-C-N 115.396 -0.82 . . . . 0.0 109.685 -177.326 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 8' ' ' THR . . . . . 0.587 ' HB ' ' O ' ' A' ' 23' ' ' LEU . 75.4 p -118.06 160.03 22.21 Favored 'General case' 0 C--N 1.29 -1.981 0 N-CA-C 108.378 -0.971 . . . . 0.0 108.378 -179.876 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 9' ' ' CYS . . . . . 0.474 ' HB2' ' O ' ' A' ' 13' ' ' ARG . 26.6 p -123.46 172.08 8.99 Favored 'General case' 0 N--CA 1.437 -1.091 0 C-N-CA 117.857 -1.537 . . . . 0.0 110.122 175.504 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 15.3 t70 -154.17 -163.93 1.73 Allowed 'General case' 0 C--N 1.305 -1.355 0 N-CA-C 106.657 -1.609 . . . . 0.0 106.657 -174.967 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 33.1 t -74.96 -32.92 61.84 Favored 'General case' 0 C--N 1.297 -1.687 0 N-CA-C 109.073 -0.714 . . . . 0.0 109.073 179.913 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 41.4 mt-10 -88.24 -32.1 18.7 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-O 121.445 0.64 . . . . 0.0 110.299 179.568 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 13' ' ' ARG . . . . . 0.474 ' O ' ' HB2' ' A' ' 9' ' ' CYS . 59.6 mtm180 -98.88 111.45 23.84 Favored 'General case' 0 C--N 1.308 -1.202 0 CA-C-N 115.752 -0.658 . . . . 0.0 109.891 -177.644 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 55.4 pttt -92.36 131.28 37.67 Favored 'General case' 0 C--N 1.304 -1.397 0 CA-C-O 120.857 0.36 . . . . 0.0 110.677 -177.376 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 15' ' ' CYS . . . . . 0.445 ' HA ' ' HB2' ' A' ' 3' ' ' GLN . 9.1 t -81.97 153.02 26.46 Favored 'General case' 0 C--N 1.304 -1.406 0 CA-C-N 116.063 -0.517 . . . . 0.0 109.826 -176.38 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 16' ' ' CYS . . . . . 0.466 ' HB2' ' SD ' ' A' ' 19' ' ' MET . 82.8 m -62.93 145.31 55.55 Favored 'General case' 0 C--N 1.315 -0.901 0 CA-C-O 121.663 0.744 . . . . 0.0 112.134 -177.862 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 66.5 mttm -71.89 130.28 40.64 Favored 'General case' 0 C--N 1.304 -1.4 0 CA-C-N 115.239 -0.891 . . . . 0.0 109.015 177.557 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 107.14 -3.71 35.39 Favored Glycine 0 N--CA 1.439 -1.134 0 N-CA-C 109.409 -1.476 . . . . 0.0 109.409 -172.644 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 19' ' ' MET . . . . . 0.466 ' SD ' ' HB2' ' A' ' 16' ' ' CYS . 65.3 mtt -121.59 170.58 9.55 Favored 'General case' 0 C--N 1.312 -1.058 0 N-CA-C 108.606 -0.887 . . . . 0.0 108.606 177.842 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 98.6 t -107.13 126.82 63.21 Favored 'Isoleucine or valine' 0 C--N 1.3 -1.552 0 N-CA-C 108.302 -0.999 . . . . 0.0 108.302 177.836 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 18.4 t -90.97 130.26 36.91 Favored 'General case' 0 N--CA 1.434 -1.264 0 N-CA-C 109.0 -0.741 . . . . 0.0 109.0 -179.541 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 22' ' ' ARG . . . . . 0.564 ' HG2' ' H ' ' A' ' 23' ' ' LEU . 30.2 ttm180 -166.37 -170.74 1.74 Allowed 'General case' 0 C--O 1.28 2.694 0 N-CA-C 106.557 -1.646 . . . . 0.0 106.557 -177.209 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 23' ' ' LEU . . . . . 0.587 ' O ' ' HB ' ' A' ' 8' ' ' THR . 62.5 tp -42.09 -43.14 3.15 Favored 'General case' 0 C--N 1.358 0.966 0 C-N-CA 123.869 0.868 . . . . 0.0 109.937 175.602 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 24' ' ' TRP . . . . . 0.54 ' HA ' ' HA ' ' A' ' 8' ' ' THR . 26.3 p90 -131.68 151.44 51.63 Favored 'General case' 0 N--CA 1.428 -1.56 0 N-CA-C 107.153 -1.425 . . . . 0.0 107.153 170.982 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 57.9 m -76.2 157.89 32.21 Favored 'General case' 0 C--N 1.318 -0.77 0 CA-C-O 121.153 0.501 . . . . 0.0 111.832 -179.177 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 63.8 tttm -150.58 156.89 42.26 Favored 'General case' 0 C--O 1.198 -1.643 0 N-CA-C 106.557 -1.646 . . . . 0.0 106.557 -177.494 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 23.9 tptm . . . . . 0 N--CA 1.413 -2.292 0 CA-C-N 119.34 0.973 . . . . 0.0 109.428 178.112 . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 3' ' ' GLN . . . . . 0.425 ' N ' ' HG ' ' A' ' 16' ' ' CYS . 15.3 mm100 . . . . . 0 N--CA 1.437 -1.103 0 N-CA-C 109.645 -0.502 . . . . 0.0 109.645 . . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 47.5 mmtm -94.54 157.43 15.99 Favored 'General case' 0 C--N 1.295 -1.804 0 N-CA-C 107.726 -1.213 . . . . 0.0 107.726 173.883 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 5' ' ' TRP . . . . . . . . . . . . . 12.9 p-90 -61.34 -21.82 64.35 Favored 'General case' 0 C--N 1.307 -1.255 0 CA-C-O 121.413 0.625 . . . . 0.0 110.925 -179.621 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 6' ' ' MET . . . . . . . . . . . . . 26.6 ptt? -84.92 -6.95 59.34 Favored 'General case' 0 N--CA 1.437 -1.099 0 CA-C-N 115.557 -0.747 . . . . 0.0 111.235 -178.755 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 7' ' ' TRP . . . . . . . . . . . . . 54.6 m0 -100.3 -176.15 3.14 Favored 'General case' 0 C--O 1.244 0.796 0 CA-C-O 120.854 0.359 . . . . 0.0 110.142 -178.984 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 8' ' ' THR . . . . . 0.561 ' HB ' ' O ' ' A' ' 23' ' ' LEU . 71.8 p -129.97 178.65 6.38 Favored 'General case' 0 C--N 1.303 -1.434 0 N-CA-C 108.294 -1.002 . . . . 0.0 108.294 -176.576 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 9' ' ' CYS . . . . . 0.609 ' HB2' ' O ' ' A' ' 13' ' ' ARG . 23.3 p -134.9 170.72 15.44 Favored 'General case' 0 N--CA 1.445 -0.695 0 C-N-CA 117.947 -1.501 . . . . 0.0 110.909 173.996 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 14.7 t70 -158.78 -137.74 0.05 Allowed 'General case' 0 C--N 1.315 -0.908 0 N-CA-C 106.818 -1.549 . . . . 0.0 106.818 179.899 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 13.0 p -80.14 -45.07 18.8 Favored 'General case' 0 C--N 1.313 -0.991 0 CA-C-N 118.734 0.697 . . . . 0.0 112.454 -178.9 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 26.9 mm-40 -77.2 -51.16 11.43 Favored 'General case' 0 C--N 1.323 -0.56 0 CA-C-O 121.337 0.589 . . . . 0.0 110.302 179.963 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 13' ' ' ARG . . . . . 0.609 ' O ' ' HB2' ' A' ' 9' ' ' CYS . 2.1 mmp_? -90.7 118.52 30.2 Favored 'General case' 0 C--N 1.298 -1.666 0 CA-C-N 115.79 -0.641 . . . . 0.0 110.788 -179.49 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 99.0 mttt -106.4 141.34 37.87 Favored 'General case' 0 C--N 1.297 -1.715 0 N-CA-C 108.996 -0.742 . . . . 0.0 108.996 173.808 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 15' ' ' CYS . . . . . 0.519 ' SG ' ' HB3' ' A' ' 9' ' ' CYS . 81.7 m -73.78 147.49 43.38 Favored 'General case' 0 C--N 1.32 -0.703 0 N-CA-C 108.841 -0.8 . . . . 0.0 108.841 176.572 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 16' ' ' CYS . . . . . 0.425 ' HG ' ' N ' ' A' ' 3' ' ' GLN . 56.5 m -74.54 157.77 34.92 Favored 'General case' 0 C--N 1.299 -1.604 0 CA-C-N 116.635 -0.257 . . . . 0.0 110.915 -178.053 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 40.1 ttmt -59.65 136.89 58.13 Favored 'General case' 0 C--N 1.323 -0.558 0 N-CA-C 108.93 -0.767 . . . . 0.0 108.93 178.094 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 107.2 -15.83 39.12 Favored Glycine 0 C--N 1.304 -1.234 0 N-CA-C 108.791 -1.723 . . . . 0.0 108.791 -173.015 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 19' ' ' MET . . . . . 0.436 ' HG2' ' HA ' ' A' ' 27' ' ' LYS . 73.0 mtm -125.2 165.78 17.66 Favored 'General case' 0 N--CA 1.429 -1.487 0 N-CA-C 107.587 -1.264 . . . . 0.0 107.587 174.093 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 11.2 t -106.17 135.73 43.36 Favored 'Isoleucine or valine' 0 C--N 1.288 -2.077 0 N-CA-C 106.679 -1.6 . . . . 0.0 106.679 178.951 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 38.6 t -87.49 104.43 16.46 Favored 'General case' 0 N--CA 1.423 -1.793 0 N-CA-C 107.835 -1.172 . . . . 0.0 107.835 178.819 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 22' ' ' ARG . . . . . 0.428 ' HB3' ' H ' ' A' ' 23' ' ' LEU . 96.3 mtt180 -135.71 -163.3 1.37 Allowed 'General case' 0 C--O 1.272 2.284 0 CA-C-N 114.896 -1.047 . . . . 0.0 109.194 -179.204 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 23' ' ' LEU . . . . . 0.561 ' O ' ' HB ' ' A' ' 8' ' ' THR . 54.7 tp -53.33 -27.15 21.8 Favored 'General case' 0 C--O 1.21 -1.01 0 CA-C-N 114.724 -1.126 . . . . 0.0 109.561 174.688 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 24' ' ' TRP . . . . . 0.482 ' HA ' HG22 ' A' ' 8' ' ' THR . 17.2 p90 -139.07 165.16 27.87 Favored 'General case' 0 N--CA 1.428 -1.567 0 N-CA-C 106.692 -1.596 . . . . 0.0 106.692 173.953 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 85.6 m -82.99 112.31 19.64 Favored 'General case' 0 C--N 1.318 -0.77 0 C-N-CA 119.527 -0.869 . . . . 0.0 108.882 175.601 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 59.9 tttm -96.4 119.99 35.89 Favored 'General case' 0 C--N 1.301 -1.511 0 N-CA-C 109.237 -0.653 . . . . 0.0 109.237 -177.962 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 27' ' ' LYS . . . . . 0.436 ' HA ' ' HG2' ' A' ' 19' ' ' MET . 22.7 pttp . . . . . 0 C--N 1.302 -1.482 0 CA-C-O 121.407 0.623 . . . . 0.0 110.714 179.751 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 3' ' ' GLN . . . . . 0.488 ' N ' ' HG ' ' A' ' 16' ' ' CYS . 15.0 mm100 . . . . . 0 N--CA 1.44 -0.964 0 N-CA-C 108.082 -1.081 . . . . 0.0 108.082 . . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 67.2 mttm -94.72 164.39 12.97 Favored 'General case' 0 C--N 1.301 -1.514 0 N-CA-C 109.629 -0.508 . . . . 0.0 109.629 178.538 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 5' ' ' TRP . . . . . . . . . . . . . 32.7 p90 -69.26 -14.67 63.08 Favored 'General case' 0 N--CA 1.488 1.469 0 CA-C-O 122.499 1.143 . . . . 0.0 110.639 -179.826 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 6' ' ' MET . . . . . . . . . . . . . 22.1 ptp -92.82 1.34 57.34 Favored 'General case' 0 C--N 1.301 -1.542 0 CA-C-N 114.401 -1.272 . . . . 0.0 109.305 179.945 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 7' ' ' TRP . . . . . . . . . . . . . 52.4 m0 -116.57 -174.29 2.54 Favored 'General case' 0 C--O 1.246 0.875 0 N-CA-C 108.118 -1.068 . . . . 0.0 108.118 178.692 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 8' ' ' THR . . . . . 0.536 ' HA ' ' HA ' ' A' ' 24' ' ' TRP . 46.2 p -131.13 172.62 11.9 Favored 'General case' 0 C--N 1.298 -1.659 0 CA-C-O 118.963 -0.541 . . . . 0.0 109.562 -175.165 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 9' ' ' CYS . . . . . 0.592 ' HB2' ' O ' ' A' ' 13' ' ' ARG . 19.0 p -127.69 -179.77 5.11 Favored 'General case' 0 C--O 1.239 0.523 0 C-N-CA 116.495 -2.082 . . . . 0.0 111.725 177.331 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 6.5 m-20 -142.78 -161.64 1.28 Allowed 'General case' 0 C--N 1.315 -0.927 0 N-CA-C 106.532 -1.655 . . . . 0.0 106.532 -177.497 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 16.0 m -82.93 -32.45 27.18 Favored 'General case' 0 C--N 1.305 -1.36 0 N-CA-C 108.676 -0.861 . . . . 0.0 108.676 173.537 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 10.3 pt-20 -79.02 -44.15 22.83 Favored 'General case' 0 CA--C 1.535 0.368 0 CA-C-N 115.769 -0.651 . . . . 0.0 111.205 178.852 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 13' ' ' ARG . . . . . 0.592 ' O ' ' HB2' ' A' ' 9' ' ' CYS . 37.3 mtm180 -99.6 116.86 32.71 Favored 'General case' 0 CA--C 1.496 -1.134 0 N-CA-C 109.119 -0.697 . . . . 0.0 109.119 177.702 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 14.9 ptmm? -104.92 151.46 23.85 Favored 'General case' 0 C--N 1.293 -1.887 0 N-CA-C 108.825 -0.806 . . . . 0.0 108.825 177.289 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 15' ' ' CYS . . . . . 0.62 ' SG ' ' HA ' ' A' ' 21' ' ' CYS . 59.3 m -68.82 153.62 43.47 Favored 'General case' 0 C--N 1.307 -1.259 0 N-CA-C 108.251 -1.018 . . . . 0.0 108.251 175.241 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 16' ' ' CYS . . . . . 0.488 ' HG ' ' N ' ' A' ' 3' ' ' GLN . 81.0 m -75.86 161.61 28.84 Favored 'General case' 0 C--N 1.299 -1.602 0 N-CA-C 111.673 0.249 . . . . 0.0 111.673 -176.217 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 25.0 ttmm -58.83 121.49 11.26 Favored 'General case' 0 C--O 1.239 0.546 0 N-CA-C 109.738 -0.467 . . . . 0.0 109.738 -178.876 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 111.43 8.07 23.58 Favored Glycine 0 N--CA 1.439 -1.157 0 N-CA-C 110.03 -1.228 . . . . 0.0 110.03 -174.134 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 19' ' ' MET . . . . . 0.407 ' HG2' ' HA ' ' A' ' 27' ' ' LYS . 64.0 mtt -139.77 158.14 44.59 Favored 'General case' 0 C--N 1.315 -0.913 0 N-CA-C 107.79 -1.189 . . . . 0.0 107.79 176.856 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 8.2 p -106.5 134.65 47.49 Favored 'Isoleucine or valine' 0 C--N 1.291 -1.948 0 N-CA-C 108.202 -1.036 . . . . 0.0 108.202 175.339 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 21' ' ' CYS . . . . . 0.62 ' HA ' ' SG ' ' A' ' 15' ' ' CYS . 43.8 t -88.14 107.35 18.72 Favored 'General case' 0 C--N 1.309 -1.163 0 CA-C-N 116.005 -0.543 . . . . 0.0 110.404 -175.081 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 99.1 mtt180 -143.81 -157.37 0.77 Allowed 'General case' 0 C--O 1.288 3.083 0 CA-C-N 115.122 -0.945 . . . . 0.0 110.258 179.309 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 23' ' ' LEU . . . . . 0.492 ' O ' ' HB ' ' A' ' 8' ' ' THR . 61.2 tp -45.76 -42.12 11.6 Favored 'General case' 0 CA--C 1.508 -0.653 0 CA-C-N 114.873 -1.058 . . . . 0.0 109.279 176.02 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 24' ' ' TRP . . . . . 0.536 ' HA ' ' HA ' ' A' ' 8' ' ' THR . 35.6 p90 -132.35 166.12 22.68 Favored 'General case' 0 N--CA 1.421 -1.885 0 N-CA-C 108.225 -1.028 . . . . 0.0 108.225 172.13 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 78.3 m -83.76 113.28 20.79 Favored 'General case' 0 C--N 1.307 -1.274 0 CA-C-O 121.274 0.559 . . . . 0.0 109.977 177.358 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 83.6 tttt -105.38 120.5 41.73 Favored 'General case' 0 N--CA 1.416 -2.134 0 N-CA-C 108.477 -0.935 . . . . 0.0 108.477 -177.801 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 27' ' ' LYS . . . . . 0.407 ' HA ' ' HG2' ' A' ' 19' ' ' MET . 23.5 pttm . . . . . 0 C--N 1.295 -1.787 0 N-CA-C 113.32 0.859 . . . . 0.0 113.32 -173.816 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 3' ' ' GLN . . . . . 0.467 ' HB2' ' HA ' ' A' ' 15' ' ' CYS . 14.4 mm100 . . . . . 0 N--CA 1.433 -1.294 0 CA-C-O 121.029 0.443 . . . . 0.0 109.812 . . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 92.0 mttt -83.25 168.75 16.43 Favored 'General case' 0 C--N 1.295 -1.775 0 N-CA-C 109.045 -0.724 . . . . 0.0 109.045 -178.571 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 5' ' ' TRP . . . . . 0.412 ' CE3' ' HD2' ' A' ' 27' ' ' LYS . 28.2 p-90 -60.99 -23.45 65.39 Favored 'General case' 0 N--CA 1.484 1.243 0 C-N-CA 122.883 0.473 . . . . 0.0 111.845 -175.755 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 6' ' ' MET . . . . . . . . . . . . . 15.8 tpt -70.79 -28.51 64.71 Favored 'General case' 0 N--CA 1.432 -1.353 0 CA-C-O 122.115 0.96 . . . . 0.0 110.127 -179.392 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 7' ' ' TRP . . . . . . . . . . . . . 31.7 m0 -99.66 -168.2 1.57 Allowed 'General case' 0 C--N 1.305 -1.345 0 CA-C-N 114.91 -1.041 . . . . 0.0 111.182 -175.48 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 8' ' ' THR . . . . . 0.483 ' HA ' ' HA ' ' A' ' 24' ' ' TRP . 70.4 p -124.8 166.21 16.62 Favored 'General case' 0 C--N 1.307 -1.25 0 N-CA-C 107.279 -1.378 . . . . 0.0 107.279 -179.256 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 9' ' ' CYS . . . . . 0.564 ' SG ' ' HB2' ' A' ' 15' ' ' CYS . 26.0 p -135.56 177.11 8.08 Favored 'General case' 0 CA--C 1.502 -0.88 0 C-N-CA 117.483 -1.687 . . . . 0.0 111.491 179.541 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 24.7 m-20 -142.72 -170.72 3.28 Favored 'General case' 0 C--N 1.315 -0.892 0 N-CA-C 108.212 -1.033 . . . . 0.0 108.212 -176.237 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 36.0 p -77.4 -24.76 50.44 Favored 'General case' 0 C--N 1.312 -1.04 0 CA-C-O 122.241 1.02 . . . . 0.0 108.746 174.253 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 8.3 mm-40 -89.75 -47.09 8.14 Favored 'General case' 0 N--CA 1.437 -1.111 0 CA-C-N 114.544 -1.207 . . . . 0.0 109.199 -177.755 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 23.9 mtp180 -90.0 111.61 22.76 Favored 'General case' 0 N--CA 1.427 -1.617 0 CA-C-N 115.826 -0.625 . . . . 0.0 109.495 178.313 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 19.1 ptpt -80.14 140.23 36.48 Favored 'General case' 0 C--N 1.314 -0.96 0 CA-C-O 121.076 0.465 . . . . 0.0 110.858 -178.235 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 15' ' ' CYS . . . . . 0.564 ' HB2' ' SG ' ' A' ' 9' ' ' CYS . 26.0 t -87.58 160.2 18.28 Favored 'General case' 0 C--N 1.288 -2.081 0 N-CA-C 108.341 -0.985 . . . . 0.0 108.341 177.501 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 78.4 m -69.61 138.56 53.21 Favored 'General case' 0 C--N 1.306 -1.324 0 CA-C-O 121.449 0.642 . . . . 0.0 109.812 177.807 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 56.7 mtpt -77.97 134.24 37.88 Favored 'General case' 0 N--CA 1.42 -1.971 0 CA-C-N 115.653 -0.703 . . . . 0.0 109.508 -177.841 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 113.75 -15.14 21.85 Favored Glycine 0 N--CA 1.43 -1.724 0 N-CA-C 108.117 -1.993 . . . . 0.0 108.117 -167.608 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 19' ' ' MET . . . . . . . . . . . . . 2.2 mpt? -110.76 171.7 7.31 Favored 'General case' 0 N--CA 1.444 -0.735 0 N-CA-C 107.682 -1.229 . . . . 0.0 107.682 170.512 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 20' ' ' VAL . . . . . 0.496 ' HB ' ' HB3' ' A' ' 26' ' ' LYS . 22.8 t -106.1 123.58 60.84 Favored 'Isoleucine or valine' 0 C--N 1.302 -1.496 0 N-CA-C 107.183 -1.414 . . . . 0.0 107.183 176.877 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 29.4 t -84.02 120.68 26.42 Favored 'General case' 0 C--N 1.31 -1.146 0 N-CA-C 109.807 -0.442 . . . . 0.0 109.807 -179.234 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 22' ' ' ARG . . . . . 0.584 ' HA ' ' NE ' ' A' ' 22' ' ' ARG . 3.0 mmp_? -151.77 -158.06 0.87 Allowed 'General case' 0 C--O 1.271 2.229 0 C-N-CA 124.87 1.268 . . . . 0.0 108.711 178.396 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 23' ' ' LEU . . . . . 0.484 ' H ' ' HB3' ' A' ' 22' ' ' ARG . 57.2 tp -57.24 -19.41 21.24 Favored 'General case' 0 CA--C 1.544 0.716 0 CA-C-N 114.686 -1.143 . . . . 0.0 109.566 176.607 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 24' ' ' TRP . . . . . 0.483 ' HA ' ' HA ' ' A' ' 8' ' ' THR . 8.3 p90 -143.15 161.21 38.83 Favored 'General case' 0 N--CA 1.421 -1.92 0 N-CA-C 105.852 -1.907 . . . . 0.0 105.852 171.94 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 33.2 m -86.94 117.93 25.99 Favored 'General case' 0 C--N 1.301 -1.514 0 C-N-CA 120.076 -0.65 . . . . 0.0 109.344 174.596 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 26' ' ' LYS . . . . . 0.496 ' HB3' ' HB ' ' A' ' 20' ' ' VAL . 84.1 tttt -91.75 121.88 33.78 Favored 'General case' 0 C--N 1.296 -1.76 0 CA-C-N 115.914 -0.584 . . . . 0.0 109.518 -176.994 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 27' ' ' LYS . . . . . 0.412 ' HD2' ' CE3' ' A' ' 5' ' ' TRP . 15.0 ptmm? . . . . . 0 C--N 1.315 -0.927 0 N-CA-C 108.752 -0.833 . . . . 0.0 108.752 175.094 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 3' ' ' GLN . . . . . 0.538 ' HB2' ' HA ' ' A' ' 15' ' ' CYS . 13.5 mm100 . . . . . 0 N--CA 1.43 -1.459 0 N-CA-C 109.751 -0.463 . . . . 0.0 109.751 . . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 62.8 mttp -72.64 176.3 5.62 Favored 'General case' 0 C--N 1.323 -0.55 0 CA-C-O 121.198 0.523 . . . . 0.0 111.41 179.363 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 5' ' ' TRP . . . . . . . . . . . . . 46.9 p90 -64.55 -24.22 67.53 Favored 'General case' 0 C--N 1.318 -0.78 0 C-N-CA 124.371 1.068 . . . . 0.0 110.758 -178.992 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 6' ' ' MET . . . . . . . . . . . . . 48.4 ttm -86.67 -15.39 39.78 Favored 'General case' 0 C--N 1.31 -1.112 0 CA-C-N 114.819 -1.082 . . . . 0.0 110.338 -178.564 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 7' ' ' TRP . . . . . . . . . . . . . 49.7 m0 -101.44 -176.46 3.15 Favored 'General case' 0 C--N 1.298 -1.663 0 CA-C-N 115.654 -0.703 . . . . 0.0 110.928 -179.516 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 8' ' ' THR . . . . . 0.557 ' HB ' ' O ' ' A' ' 23' ' ' LEU . 70.4 p -128.1 163.22 25.08 Favored 'General case' 0 C--N 1.302 -1.49 0 N-CA-C 108.942 -0.762 . . . . 0.0 108.942 -175.656 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 9' ' ' CYS . . . . . 0.564 ' HB2' ' O ' ' A' ' 13' ' ' ARG . 31.9 p -130.59 175.1 9.28 Favored 'General case' 0 C--O 1.244 0.77 0 C-N-CA 118.314 -1.354 . . . . 0.0 110.881 178.888 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 18.3 m-20 -146.8 -158.22 0.89 Allowed 'General case' 0 CA--C 1.504 -0.79 0 N-CA-C 107.244 -1.391 . . . . 0.0 107.244 -176.618 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 20.6 m -65.04 -42.37 94.35 Favored 'General case' 0 C--N 1.311 -1.076 0 CA-C-O 120.767 0.317 . . . . 0.0 111.17 178.687 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 39.3 mm-40 -89.46 -54.32 4.14 Favored 'General case' 0 C--N 1.322 -0.611 0 C-N-CA 120.181 -0.608 . . . . 0.0 112.11 -179.528 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 13' ' ' ARG . . . . . 0.564 ' O ' ' HB2' ' A' ' 9' ' ' CYS . 83.9 mtm180 -62.23 122.63 16.1 Favored 'General case' 0 N--CA 1.474 0.741 0 N-CA-C 111.613 0.227 . . . . 0.0 111.613 -179.362 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 22.4 ptmt -104.84 144.94 31.08 Favored 'General case' 0 C--N 1.319 -0.726 0 CA-C-N 116.036 -0.529 . . . . 0.0 110.722 -178.816 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 15' ' ' CYS . . . . . 0.538 ' HA ' ' HB2' ' A' ' 3' ' ' GLN . 57.5 m -79.7 164.86 23.4 Favored 'General case' 0 C--N 1.308 -1.206 0 N-CA-C 109.666 -0.494 . . . . 0.0 109.666 178.32 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 60.7 m -66.25 153.71 41.82 Favored 'General case' 0 C--N 1.295 -1.797 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.088 177.1 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 58.1 tptt -56.25 119.33 5.79 Favored 'General case' 0 C--O 1.24 0.578 0 C-N-CA 123.111 0.565 . . . . 0.0 110.42 179.607 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 106.73 14.55 19.19 Favored Glycine 0 N--CA 1.436 -1.339 0 C-N-CA 120.564 -0.827 . . . . 0.0 111.298 -178.558 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 19' ' ' MET . . . . . . . . . . . . . 65.1 mtt -129.06 158.68 38.25 Favored 'General case' 0 C--N 1.311 -1.081 0 N-CA-C 109.087 -0.708 . . . . 0.0 109.087 176.728 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 33.2 m -106.44 143.4 17.36 Favored 'Isoleucine or valine' 0 C--N 1.305 -1.347 0 N-CA-C 108.441 -0.948 . . . . 0.0 108.441 176.963 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 13.8 t -89.81 138.58 31.36 Favored 'General case' 0 C--N 1.293 -1.878 0 N-CA-C 109.395 -0.594 . . . . 0.0 109.395 -177.342 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 22' ' ' ARG . . . . . 0.533 ' HG2' ' H ' ' A' ' 23' ' ' LEU . 70.6 ttt180 -171.25 -171.4 0.95 Allowed 'General case' 0 C--O 1.27 2.155 0 N-CA-C 105.875 -1.898 . . . . 0.0 105.875 -179.063 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 23' ' ' LEU . . . . . 0.557 ' O ' ' HB ' ' A' ' 8' ' ' THR . 92.4 mt -48.39 -25.69 1.73 Allowed 'General case' 0 C--O 1.213 -0.822 0 C-N-CA 123.537 0.735 . . . . 0.0 111.632 175.119 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 24' ' ' TRP . . . . . 0.534 ' HA ' ' HA ' ' A' ' 8' ' ' THR . 18.1 p90 -138.92 159.59 41.76 Favored 'General case' 0 N--CA 1.426 -1.653 0 N-CA-C 106.982 -1.488 . . . . 0.0 106.982 172.872 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 88.7 m -87.51 125.13 34.14 Favored 'General case' 0 C--N 1.315 -0.898 0 CA-C-N 118.331 0.514 . . . . 0.0 110.215 177.966 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 40.2 ttpt -118.26 141.28 48.68 Favored 'General case' 0 C--N 1.302 -1.461 0 N-CA-C 109.103 -0.703 . . . . 0.0 109.103 -177.251 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 95.3 mttt . . . . . 0 C--N 1.311 -1.081 0 CA-C-O 121.236 0.541 . . . . 0.0 110.587 -178.993 . . . . . . . . 0 0 . 1 . 013 nuclear build core ' A' A ' 3' ' ' GLN . . . . . 0.511 ' OE1' ' HA ' ' A' ' 9' ' ' CYS . 5.4 mt-30 . . . . . 0 N--CA 1.433 -1.3 0 CA-C-O 121.633 0.73 . . . . 0.0 112.25 . . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 92.3 mttt -78.66 163.91 25.05 Favored 'General case' 0 C--N 1.314 -0.963 0 CA-C-N 113.807 -1.542 . . . . 0.0 110.438 -176.266 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 5' ' ' TRP . . . . . . . . . . . . . 13.6 p-90 -58.25 -27.87 64.38 Favored 'General case' 0 N--CA 1.482 1.163 0 C-N-CA 123.459 0.704 . . . . 0.0 111.728 -176.177 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 6' ' ' MET . . . . . . . . . . . . . 49.6 ttm -79.54 -13.77 59.31 Favored 'General case' 0 C--N 1.313 -1.01 0 CA-C-O 121.506 0.669 . . . . 0.0 111.099 -177.23 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 7' ' ' TRP . . . . . 0.428 ' CE3' ' HA ' ' A' ' 3' ' ' GLN . 41.9 m0 -96.89 -174.08 2.88 Favored 'General case' 0 C--N 1.294 -1.811 0 CA-C-N 115.725 -0.67 . . . . 0.0 109.862 -177.601 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 8' ' ' THR . . . . . 0.552 HG22 ' HA ' ' A' ' 24' ' ' TRP . 34.0 p -131.0 156.23 45.47 Favored 'General case' 0 C--N 1.295 -1.784 0 N-CA-C 106.829 -1.545 . . . . 0.0 106.829 179.53 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 9' ' ' CYS . . . . . 0.593 ' HB2' ' O ' ' A' ' 13' ' ' ARG . 31.9 p -120.47 170.26 9.55 Favored 'General case' 0 CA--C 1.504 -0.795 0 C-N-CA 116.98 -1.888 . . . . 0.0 112.184 -179.011 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 4.3 p30 -132.82 -160.0 1.01 Allowed 'General case' 0 C--N 1.309 -1.189 0 N-CA-C 107.374 -1.343 . . . . 0.0 107.374 179.563 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 50.3 p -74.76 -40.95 60.91 Favored 'General case' 0 C--N 1.308 -1.215 0 CA-C-N 118.385 0.539 . . . . 0.0 111.267 -178.622 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 12.7 mm-40 -82.49 -44.7 15.64 Favored 'General case' 0 N--CA 1.434 -1.271 0 CA-C-N 115.634 -0.712 . . . . 0.0 109.133 -173.497 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 13' ' ' ARG . . . . . 0.593 ' O ' ' HB2' ' A' ' 9' ' ' CYS . 5.2 mmp_? -98.61 115.89 29.64 Favored 'General case' 0 CA--C 1.492 -1.275 0 CA-C-N 115.664 -0.698 . . . . 0.0 110.135 177.052 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 14' ' ' LYS . . . . . 0.436 ' HA ' ' SG ' ' A' ' 21' ' ' CYS . 57.7 mttp -105.85 157.16 17.67 Favored 'General case' 0 C--N 1.293 -1.872 0 O-C-N 123.66 0.6 . . . . 0.0 110.839 -179.73 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 15' ' ' CYS . . . . . 0.486 ' HA ' ' HB2' ' A' ' 3' ' ' GLN . 60.1 m -76.6 159.92 29.87 Favored 'General case' 0 C--O 1.248 0.996 0 CA-C-N 116.597 -0.274 . . . . 0.0 110.294 177.906 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 16' ' ' CYS . . . . . 0.412 ' O ' ' HB2' ' A' ' 19' ' ' MET . 85.8 m -65.14 165.86 10.6 Favored 'General case' 0 C--N 1.305 -1.352 0 N-CA-C 113.488 0.922 . . . . 0.0 113.488 -179.287 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 39.7 ttmt -64.92 141.1 58.89 Favored 'General case' 0 C--N 1.32 -0.685 0 CA-C-N 115.056 -0.974 . . . . 0.0 109.382 177.219 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 92.52 -3.56 75.37 Favored Glycine 0 N--CA 1.435 -1.401 0 N-CA-C 109.372 -1.491 . . . . 0.0 109.372 -175.654 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 19' ' ' MET . . . . . 0.412 ' HB2' ' O ' ' A' ' 16' ' ' CYS . 60.4 mtt -129.26 154.9 46.37 Favored 'General case' 0 N--CA 1.428 -1.57 0 N-CA-C 108.273 -1.01 . . . . 0.0 108.273 178.704 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 7.4 p -106.58 132.01 54.91 Favored 'Isoleucine or valine' 0 C--N 1.281 -2.372 0 N-CA-C 108.232 -1.025 . . . . 0.0 108.232 178.558 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 21' ' ' CYS . . . . . 0.436 ' SG ' ' HA ' ' A' ' 14' ' ' LYS . 35.2 t -76.08 110.75 10.82 Favored 'General case' 0 N--CA 1.427 -1.617 0 N-CA-C 108.129 -1.063 . . . . 0.0 108.129 179.771 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 22' ' ' ARG . . . . . 0.488 ' HB3' ' H ' ' A' ' 23' ' ' LEU . 21.1 mmm180 -140.39 -161.86 1.26 Allowed 'General case' 0 C--O 1.287 3.03 0 CA-C-N 115.58 -0.737 . . . . 0.0 110.207 -178.776 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 23' ' ' LEU . . . . . 0.488 ' H ' ' HB3' ' A' ' 22' ' ' ARG . 55.0 tp -52.09 -39.63 60.06 Favored 'General case' 0 CA--C 1.512 -0.486 0 CA-C-N 113.641 -1.618 . . . . 0.0 107.792 177.876 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 24' ' ' TRP . . . . . 0.552 ' HA ' HG22 ' A' ' 8' ' ' THR . 36.1 p90 -130.55 165.49 22.62 Favored 'General case' 0 N--CA 1.417 -2.114 0 N-CA-C 107.403 -1.332 . . . . 0.0 107.403 171.311 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 99.4 m -76.59 115.48 16.38 Favored 'General case' 0 C--N 1.31 -1.112 0 CA-C-O 121.593 0.711 . . . . 0.0 109.654 176.348 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 52.8 tttm -114.92 129.51 56.72 Favored 'General case' 0 N--CA 1.415 -2.217 0 CA-C-N 115.255 -0.884 . . . . 0.0 109.567 -175.387 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 8.5 mtpm? . . . . . 0 N--CA 1.44 -0.943 0 N-CA-C 108.783 -0.821 . . . . 0.0 108.783 174.92 . . . . . . . . 0 0 . 1 . 014 nuclear build core ' A' A ' 3' ' ' GLN . . . . . 0.485 ' HB2' ' HA ' ' A' ' 15' ' ' CYS . 15.3 mm100 . . . . . 0 N--CA 1.438 -1.049 0 N-CA-C 106.717 -1.586 . . . . 0.0 106.717 . . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 97.0 mttt -91.5 172.18 8.69 Favored 'General case' 0 C--N 1.3 -1.555 0 CA-C-O 120.804 0.335 . . . . 0.0 111.059 -178.229 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 5' ' ' TRP . . . . . . . . . . . . . 46.3 p90 -62.66 -26.4 68.62 Favored 'General case' 0 C--N 1.317 -0.829 0 C-N-CA 124.665 1.186 . . . . 0.0 110.553 178.868 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 6' ' ' MET . . . . . . . . . . . . . 25.5 ttt -77.58 -25.15 49.73 Favored 'General case' 0 C--N 1.312 -1.028 0 CA-C-N 114.871 -1.059 . . . . 0.0 109.909 179.689 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 7' ' ' TRP . . . . . 0.418 ' CE3' ' HA ' ' A' ' 3' ' ' GLN . 28.9 m0 -94.52 -176.87 4.05 Favored 'General case' 0 C--N 1.292 -1.909 0 CA-C-N 115.01 -0.996 . . . . 0.0 109.809 -174.048 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 8' ' ' THR . . . . . 0.584 HG22 ' HA ' ' A' ' 24' ' ' TRP . 47.3 p -127.6 172.3 10.87 Favored 'General case' 0 C--N 1.29 -1.984 0 N-CA-C 106.653 -1.61 . . . . 0.0 106.653 -179.768 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 9' ' ' CYS . . . . . 0.595 ' HB3' ' SG ' ' A' ' 15' ' ' CYS . 18.5 p -119.63 179.23 4.29 Favored 'General case' 0 N--CA 1.448 -0.546 0 C-N-CA 115.989 -2.284 . . . . 0.0 111.645 177.583 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 10' ' ' ASP . . . . . 0.407 ' CG ' ' H ' ' A' ' 11' ' ' SER . 31.7 t70 -143.01 -166.06 2.21 Favored 'General case' 0 C--N 1.3 -1.587 0 N-CA-C 105.733 -1.951 . . . . 0.0 105.733 -176.266 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 11' ' ' SER . . . . . 0.407 ' H ' ' CG ' ' A' ' 10' ' ' ASP . 14.3 p -78.69 -37.81 40.77 Favored 'General case' 0 C--N 1.293 -1.881 0 N-CA-C 108.184 -1.043 . . . . 0.0 108.184 176.097 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 27.8 mm-40 -86.63 -50.06 7.07 Favored 'General case' 0 N--CA 1.439 -1.013 0 CA-C-N 115.726 -0.67 . . . . 0.0 111.147 178.456 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 13' ' ' ARG . . . . . 0.505 ' O ' ' HB2' ' A' ' 9' ' ' CYS . 5.9 mmp_? -77.24 111.01 12.43 Favored 'General case' 0 C--O 1.21 -0.999 0 N-CA-C 108.31 -0.996 . . . . 0.0 108.31 176.689 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 62.4 pttt -106.65 149.34 27.32 Favored 'General case' 0 C--N 1.277 -2.563 0 C-N-CA 120.578 -0.449 . . . . 0.0 112.121 -179.553 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 15' ' ' CYS . . . . . 0.719 ' SG ' ' HA ' ' A' ' 21' ' ' CYS . 61.4 m -70.67 160.44 32.6 Favored 'General case' 0 C--N 1.321 -0.671 0 CA-C-N 116.017 -0.538 . . . . 0.0 109.801 178.022 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 3.1 t -74.34 174.78 8.37 Favored 'General case' 0 C--N 1.314 -0.938 0 CA-C-O 121.105 0.478 . . . . 0.0 111.001 -175.483 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 66.7 tttm -68.1 126.26 28.96 Favored 'General case' 0 N--CA 1.44 -0.929 0 CA-C-N 115.791 -0.64 . . . . 0.0 109.486 179.059 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 96.0 10.3 56.37 Favored Glycine 0 C--N 1.309 -0.931 0 N-CA-C 110.459 -1.056 . . . . 0.0 110.459 -177.585 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 19' ' ' MET . . . . . . . . . . . . . 67.1 mtt -122.13 159.2 27.68 Favored 'General case' 0 N--CA 1.433 -1.299 0 CA-C-N 115.008 -0.596 . . . . 0.0 109.477 177.292 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 72.5 t -105.86 123.69 60.54 Favored 'Isoleucine or valine' 0 C--N 1.292 -1.908 0 N-CA-C 107.352 -1.351 . . . . 0.0 107.352 177.615 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 21' ' ' CYS . . . . . 0.719 ' HA ' ' SG ' ' A' ' 15' ' ' CYS . 34.6 t -76.5 107.46 8.79 Favored 'General case' 0 CA--C 1.501 -0.918 0 N-CA-C 107.538 -1.282 . . . . 0.0 107.538 178.407 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 22' ' ' ARG . . . . . 0.443 ' HG2' ' H ' ' A' ' 23' ' ' LEU . 56.3 ttt180 -142.73 -170.19 3.16 Favored 'General case' 0 N--CA 1.401 -2.919 0 N-CA-C 108.102 -1.073 . . . . 0.0 108.102 -173.308 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 23' ' ' LEU . . . . . 0.447 HD22 ' H ' ' A' ' 23' ' ' LEU . 2.9 mm? -55.2 -18.11 5.42 Favored 'General case' 0 N--CA 1.472 0.637 0 C-N-CA 124.183 0.993 . . . . 0.0 110.668 177.46 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 24' ' ' TRP . . . . . 0.584 ' HA ' HG22 ' A' ' 8' ' ' THR . 14.7 p90 -147.17 157.75 43.71 Favored 'General case' 0 N--CA 1.416 -2.126 0 N-CA-C 105.752 -1.944 . . . . 0.0 105.752 170.967 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 61.3 m -82.66 114.24 20.9 Favored 'General case' 0 CA--C 1.492 -1.266 0 CA-C-N 118.933 0.788 . . . . 0.0 110.695 178.644 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 86.7 tttt -110.34 118.24 35.79 Favored 'General case' 0 N--CA 1.412 -2.37 0 CA-C-N 115.524 -0.762 . . . . 0.0 110.739 -177.069 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 22.0 pttp . . . . . 0 C--N 1.308 -1.206 0 N-CA-C 108.695 -0.854 . . . . 0.0 108.695 175.018 . . . . . . . . 0 0 . 1 . 015 nuclear build core ' A' A ' 3' ' ' GLN . . . . . 0.452 ' HG2' ' O ' ' A' ' 14' ' ' LYS . 10.3 mm100 . . . . . 0 CA--C 1.508 -0.644 0 N-CA-C 109.701 -0.481 . . . . 0.0 109.701 . . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 95.3 mttt -94.42 176.59 6.24 Favored 'General case' 0 C--N 1.306 -1.305 0 CA-C-N 115.515 -0.766 . . . . 0.0 110.828 -179.189 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 5' ' ' TRP . . . . . . . . . . . . . 44.7 p90 -63.24 -23.84 67.6 Favored 'General case' 0 N--CA 1.478 0.955 0 C-N-CA 124.665 1.186 . . . . 0.0 110.772 178.388 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 6' ' ' MET . . . . . . . . . . . . . 39.0 ttm -81.36 -21.65 38.96 Favored 'General case' 0 C--N 1.308 -1.201 0 CA-C-N 114.851 -1.068 . . . . 0.0 110.383 178.387 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 7' ' ' TRP . . . . . . . . . . . . . 17.7 m0 -96.67 -176.55 3.63 Favored 'General case' 0 C--N 1.295 -1.79 0 CA-C-N 114.919 -1.037 . . . . 0.0 110.525 -171.375 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 8' ' ' THR . . . . . 0.511 ' HB ' ' O ' ' A' ' 23' ' ' LEU . 71.3 p -128.22 167.79 16.37 Favored 'General case' 0 C--N 1.302 -1.477 0 N-CA-C 107.711 -1.218 . . . . 0.0 107.711 178.921 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 26.4 p -133.91 -178.5 5.05 Favored 'General case' 0 C--O 1.253 1.283 0 C-N-CA 117.541 -1.663 . . . . 0.0 111.834 177.019 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 17.7 t70 -157.95 -165.35 1.71 Allowed 'General case' 0 C--N 1.309 -1.153 0 N-CA-C 105.444 -2.058 . . . . 0.0 105.444 -175.812 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 19.5 m -80.74 -26.5 37.33 Favored 'General case' 0 C--N 1.306 -1.284 0 N-CA-C 108.421 -0.955 . . . . 0.0 108.421 177.57 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 45.3 mt-10 -83.18 -57.59 3.21 Favored 'General case' 0 N--CA 1.442 -0.835 0 CA-C-N 115.143 -0.935 . . . . 0.0 109.51 177.109 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 13' ' ' ARG . . . . . 0.408 ' HA ' ' NE ' ' A' ' 13' ' ' ARG . 4.6 mmp_? -71.75 112.02 7.51 Favored 'General case' 0 CA--C 1.509 -0.625 0 N-CA-C 109.753 -0.462 . . . . 0.0 109.753 177.544 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 14' ' ' LYS . . . . . 0.59 ' H ' ' HD3' ' A' ' 14' ' ' LYS . 0.0 OUTLIER -88.85 132.3 34.72 Favored 'General case' 0 C--N 1.3 -1.551 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.176 -177.596 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 15' ' ' CYS . . . . . 0.444 ' HA ' ' HB2' ' A' ' 3' ' ' GLN . 8.2 t -92.48 157.64 16.45 Favored 'General case' 0 C--N 1.295 -1.774 0 N-CA-C 108.365 -0.976 . . . . 0.0 108.365 -177.7 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 75.3 m -72.47 149.59 44.04 Favored 'General case' 0 C--N 1.306 -1.307 0 CA-C-O 121.324 0.583 . . . . 0.0 112.124 -176.235 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 99.0 mttt -71.18 131.5 43.63 Favored 'General case' 0 N--CA 1.434 -1.254 0 N-CA-C 107.634 -1.247 . . . . 0.0 107.634 175.073 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 107.05 2.3 36.15 Favored Glycine 0 C--N 1.287 -2.152 0 N-CA-C 108.655 -1.778 . . . . 0.0 108.655 -171.721 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 19' ' ' MET . . . . . 0.434 ' HG2' ' HA ' ' A' ' 27' ' ' LYS . 65.4 mtt -131.29 159.24 38.43 Favored 'General case' 0 CA--C 1.498 -1.04 0 N-CA-C 107.426 -1.324 . . . . 0.0 107.426 175.76 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 65.4 t -106.16 125.4 61.8 Favored 'Isoleucine or valine' 0 C--N 1.287 -2.15 0 N-CA-C 107.237 -1.394 . . . . 0.0 107.237 177.28 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 27.5 t -80.25 136.32 36.43 Favored 'General case' 0 N--CA 1.429 -1.493 0 N-CA-C 108.612 -0.884 . . . . 0.0 108.612 -178.343 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 22' ' ' ARG . . . . . 0.438 ' HG2' ' H ' ' A' ' 23' ' ' LEU . 57.6 ttt180 -167.52 -167.32 0.87 Allowed 'General case' 0 C--O 1.279 2.613 0 N-CA-C 106.526 -1.657 . . . . 0.0 106.526 -175.289 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 23' ' ' LEU . . . . . 0.511 ' O ' ' HB ' ' A' ' 8' ' ' THR . 6.5 mp -54.64 -23.46 17.25 Favored 'General case' 0 N--CA 1.474 0.763 0 C-N-CA 122.695 0.398 . . . . 0.0 110.156 176.03 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 24' ' ' TRP . . . . . 0.49 ' HA ' ' HA ' ' A' ' 8' ' ' THR . 9.3 p90 -138.09 162.16 34.91 Favored 'General case' 0 N--CA 1.423 -1.811 0 N-CA-C 106.457 -1.682 . . . . 0.0 106.457 174.063 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 14.7 m -92.5 131.95 37.22 Favored 'General case' 0 C--N 1.307 -1.241 0 CA-C-N 118.68 0.673 . . . . 0.0 110.427 176.29 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 86.5 tttt -130.07 122.13 27.73 Favored 'General case' 0 N--CA 1.42 -1.932 0 CA-C-N 116.24 -0.436 . . . . 0.0 109.965 -179.445 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 27' ' ' LYS . . . . . 0.434 ' HA ' ' HG2' ' A' ' 19' ' ' MET . 13.7 ptmm? . . . . . 0 C--N 1.308 -1.226 0 CA-C-O 121.394 0.616 . . . . 0.0 111.427 -176.724 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 3' ' ' GLN . . . . . 0.487 ' HB2' ' HA ' ' A' ' 15' ' ' CYS . 15.5 mm100 . . . . . 0 N--CA 1.433 -1.312 0 N-CA-C 106.493 -1.669 . . . . 0.0 106.493 . . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 93.2 mttt -80.82 165.54 21.78 Favored 'General case' 0 C--N 1.308 -1.203 0 CA-C-N 115.393 -0.821 . . . . 0.0 111.053 -175.216 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 5' ' ' TRP . . . . . . . . . . . . . 42.9 p90 -55.88 -26.86 49.17 Favored 'General case' 0 N--CA 1.479 1.011 0 C-N-CA 125.713 1.605 . . . . 0.0 110.853 176.636 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 6' ' ' MET . . . . . . . . . . . . . 25.5 ttt -66.17 -27.05 67.72 Favored 'General case' 0 C--N 1.316 -0.882 0 CA-C-N 114.525 -1.216 . . . . 0.0 110.925 179.003 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 7' ' ' TRP . . . . . . . . . . . . . 19.9 m0 -108.05 -168.95 1.43 Allowed 'General case' 0 C--N 1.304 -1.372 0 CA-C-N 115.852 -0.613 . . . . 0.0 110.057 -175.862 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 8' ' ' THR . . . . . 0.567 ' HA ' ' HA ' ' A' ' 24' ' ' TRP . 45.4 p -125.68 163.06 23.63 Favored 'General case' 0 C--N 1.304 -1.403 0 N-CA-C 108.953 -0.758 . . . . 0.0 108.953 -177.598 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 9' ' ' CYS . . . . . 0.686 ' HB2' ' O ' ' A' ' 13' ' ' ARG . 19.8 p -128.36 177.99 6.58 Favored 'General case' 0 C--O 1.248 1.017 0 C-N-CA 117.328 -1.749 . . . . 0.0 110.392 177.729 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 7.5 t70 -147.48 -161.42 1.33 Allowed 'General case' 0 C--N 1.31 -1.148 0 N-CA-C 105.134 -2.172 . . . . 0.0 105.134 178.526 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 76.2 p -79.71 -19.8 48.01 Favored 'General case' 0 C--N 1.315 -0.924 0 CA-C-N 120.295 1.407 . . . . 0.0 109.708 178.209 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 45.4 mt-10 -82.16 -64.66 1.13 Allowed 'General case' 0 N--CA 1.443 -0.798 0 CA-C-N 115.019 -0.991 . . . . 0.0 110.289 178.879 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 13' ' ' ARG . . . . . 0.686 ' O ' ' HB2' ' A' ' 9' ' ' CYS . 80.4 mtm180 -84.65 116.2 23.07 Favored 'General case' 0 C--O 1.206 -1.21 0 N-CA-C 108.405 -0.961 . . . . 0.0 108.405 175.335 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 49.5 mtmt -105.11 150.19 25.23 Favored 'General case' 0 C--N 1.309 -1.163 0 N-CA-C 109.257 -0.645 . . . . 0.0 109.257 -179.766 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 15' ' ' CYS . . . . . 0.487 ' HA ' ' HB2' ' A' ' 3' ' ' GLN . 13.7 m -79.64 147.67 31.93 Favored 'General case' 0 C--N 1.311 -1.099 0 N-CA-C 107.957 -1.127 . . . . 0.0 107.957 176.156 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 67.6 m -72.7 162.33 29.61 Favored 'General case' 0 C--N 1.313 -0.993 0 C-N-CA 120.202 -0.599 . . . . 0.0 111.64 177.749 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 60.9 tttm -53.42 133.86 40.4 Favored 'General case' 0 N--CA 1.453 -0.323 0 C-N-CA 124.282 1.033 . . . . 0.0 111.16 -178.233 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 111.14 -18.33 26.01 Favored Glycine 0 C--N 1.307 -1.083 0 N-CA-C 108.715 -1.754 . . . . 0.0 108.715 -175.924 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 19' ' ' MET . . . . . . . . . . . . . 51.3 mtm -124.63 147.92 48.23 Favored 'General case' 0 N--CA 1.427 -1.604 0 N-CA-C 107.705 -1.22 . . . . 0.0 107.705 175.985 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 8.9 p -106.47 133.03 52.17 Favored 'Isoleucine or valine' 0 C--N 1.291 -1.95 0 N-CA-C 108.128 -1.064 . . . . 0.0 108.128 -179.37 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 21' ' ' CYS . . . . . 0.416 ' HA ' ' SG ' ' A' ' 15' ' ' CYS . 11.4 t -71.53 120.44 17.12 Favored 'General case' 0 N--CA 1.431 -1.411 0 CA-C-N 115.677 -0.692 . . . . 0.0 109.271 -177.707 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 22' ' ' ARG . . . . . 0.498 ' HG3' ' H ' ' A' ' 23' ' ' LEU . 22.2 tpt180 -149.77 -174.52 4.72 Favored 'General case' 0 C--O 1.286 3.017 0 N-CA-C 107.052 -1.462 . . . . 0.0 107.052 -175.913 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 23' ' ' LEU . . . . . 0.498 ' H ' ' HG3' ' A' ' 22' ' ' ARG . 74.3 mt -49.34 -28.2 4.72 Favored 'General case' 0 N--CA 1.47 0.554 0 C-N-CA 123.867 0.867 . . . . 0.0 110.407 175.909 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 24' ' ' TRP . . . . . 0.567 ' HA ' ' HA ' ' A' ' 8' ' ' THR . 12.6 p90 -138.07 158.63 43.94 Favored 'General case' 0 N--CA 1.422 -1.848 0 N-CA-C 105.41 -2.07 . . . . 0.0 105.41 171.158 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 67.0 m -74.89 114.26 13.14 Favored 'General case' 0 C--N 1.31 -1.127 0 C-N-CA 119.35 -0.94 . . . . 0.0 109.635 176.683 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 60.1 tttp -110.7 146.54 36.08 Favored 'General case' 0 C--N 1.298 -1.659 0 N-CA-C 108.999 -0.741 . . . . 0.0 108.999 -177.54 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 90.8 mttt . . . . . 0 C--N 1.304 -1.38 0 N-CA-C 109.339 -0.615 . . . . 0.0 109.339 177.145 . . . . . . . . 0 0 . 1 . 017 nuclear build core ' A' A ' 3' ' ' GLN . . . . . 0.563 ' N ' ' HG ' ' A' ' 16' ' ' CYS . 15.3 mm100 . . . . . 0 N--CA 1.432 -1.337 0 N-CA-C 109.805 -0.443 . . . . 0.0 109.805 . . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 97.0 mttt -94.94 166.11 12.12 Favored 'General case' 0 C--N 1.307 -1.265 0 N-CA-C 108.648 -0.871 . . . . 0.0 108.648 176.725 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 5' ' ' TRP . . . . . . . . . . . . . 19.4 p-90 -68.33 -19.7 64.68 Favored 'General case' 0 N--CA 1.487 1.395 0 CA-C-O 122.263 1.03 . . . . 0.0 110.155 -177.142 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 6' ' ' MET . . . . . 0.476 ' HG3' ' CD1' ' A' ' 7' ' ' TRP . 23.3 ptp -79.09 -7.98 58.59 Favored 'General case' 0 C--N 1.309 -1.166 0 CA-C-N 114.623 -1.171 . . . . 0.0 110.282 -179.834 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 7' ' ' TRP . . . . . 0.476 ' CD1' ' HG3' ' A' ' 6' ' ' MET . 43.1 m0 -112.93 -175.27 2.63 Favored 'General case' 0 N--CA 1.443 -0.788 0 N-CA-C 109.051 -0.722 . . . . 0.0 109.051 -179.887 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 8' ' ' THR . . . . . 0.596 ' HA ' ' HA ' ' A' ' 24' ' ' TRP . 31.4 p -125.32 167.61 14.67 Favored 'General case' 0 C--N 1.299 -1.627 0 CA-C-O 119.044 -0.503 . . . . 0.0 110.432 -176.099 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 9' ' ' CYS . . . . . 0.512 ' HB2' ' O ' ' A' ' 13' ' ' ARG . 28.7 p -133.77 177.26 7.85 Favored 'General case' 0 C--O 1.245 0.862 0 C-N-CA 118.046 -1.461 . . . . 0.0 110.23 174.329 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 14.0 m-20 -148.58 -170.47 3.62 Favored 'General case' 0 CA--C 1.497 -1.069 0 N-CA-C 108.243 -1.021 . . . . 0.0 108.243 -173.686 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 8.6 m -72.79 -26.08 61.39 Favored 'General case' 0 C--N 1.312 -1.03 0 N-CA-C 108.184 -1.043 . . . . 0.0 108.184 174.756 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 20.4 mm-40 -86.65 -51.22 6.26 Favored 'General case' 0 N--CA 1.447 -0.602 0 CA-C-N 114.927 -1.033 . . . . 0.0 110.192 178.708 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 13' ' ' ARG . . . . . 0.512 ' O ' ' HB2' ' A' ' 9' ' ' CYS . 68.7 mtm180 -87.83 111.93 21.93 Favored 'General case' 0 C--N 1.311 -1.071 0 CA-C-N 115.945 -0.57 . . . . 0.0 110.348 -178.642 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 21.6 ptmt -79.43 144.24 34.27 Favored 'General case' 0 C--N 1.303 -1.446 0 N-CA-C 109.654 -0.498 . . . . 0.0 109.654 178.509 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 15' ' ' CYS . . . . . 0.507 ' HB2' ' SG ' ' A' ' 9' ' ' CYS . 14.0 t -95.01 165.66 12.33 Favored 'General case' 0 C--N 1.292 -1.913 0 N-CA-C 107.415 -1.328 . . . . 0.0 107.415 175.754 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 16' ' ' CYS . . . . . 0.563 ' HG ' ' N ' ' A' ' 3' ' ' GLN . 81.0 m -90.52 149.77 22.04 Favored 'General case' 0 C--N 1.296 -1.741 0 CA-C-O 121.009 0.433 . . . . 0.0 112.032 -178.171 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -59.89 139.07 57.62 Favored 'General case' 0 C--O 1.242 0.661 0 CA-C-N 115.771 -0.649 . . . . 0.0 110.583 177.941 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 111.97 -15.86 25.78 Favored Glycine 0 C--N 1.303 -1.257 0 N-CA-C 108.369 -1.893 . . . . 0.0 108.369 -172.89 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 19' ' ' MET . . . . . 0.441 ' HG2' ' HA ' ' A' ' 27' ' ' LYS . 65.4 mtt -124.74 162.65 23.78 Favored 'General case' 0 N--CA 1.421 -1.884 0 CA-C-N 113.892 -1.154 . . . . 0.0 108.942 177.538 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 58.7 t -106.61 119.54 56.27 Favored 'Isoleucine or valine' 0 C--N 1.275 -2.646 0 N-CA-C 106.834 -1.543 . . . . 0.0 106.834 176.839 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 38.4 t -77.36 106.66 9.24 Favored 'General case' 0 C--N 1.301 -1.524 0 CA-C-N 115.417 -0.811 . . . . 0.0 110.448 -176.067 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 3.4 mmp_? -136.75 -152.17 0.44 Allowed 'General case' 0 C--O 1.281 2.756 0 N-CA-C 108.48 -0.933 . . . . 0.0 108.48 178.014 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 97.2 mt -58.87 -27.86 65.57 Favored 'General case' 0 CA--C 1.503 -0.844 0 CA-C-N 114.087 -1.415 . . . . 0.0 108.943 178.149 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 24' ' ' TRP . . . . . 0.596 ' HA ' ' HA ' ' A' ' 8' ' ' THR . 28.9 p90 -137.93 167.31 22.02 Favored 'General case' 0 N--CA 1.415 -2.204 0 N-CA-C 107.109 -1.441 . . . . 0.0 107.109 169.748 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 54.7 m -85.57 113.06 21.52 Favored 'General case' 0 C--N 1.3 -1.563 0 C-N-CA 120.055 -0.658 . . . . 0.0 110.014 176.344 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 40.1 ttmt -100.49 118.05 35.91 Favored 'General case' 0 N--CA 1.424 -1.758 0 N-CA-C 108.115 -1.069 . . . . 0.0 108.115 -179.342 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 27' ' ' LYS . . . . . 0.441 ' HA ' ' HG2' ' A' ' 19' ' ' MET . 59.9 pttt . . . . . 0 C--N 1.293 -1.87 0 C-N-CA 120.298 -0.561 . . . . 0.0 110.112 -179.378 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 3' ' ' GLN . . . . . 0.455 ' HB2' ' HA ' ' A' ' 15' ' ' CYS . 13.1 mm100 . . . . . 0 CA--C 1.517 -0.291 0 CA-C-O 121.015 0.436 . . . . 0.0 110.848 . . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 7.7 mtpm? -92.07 159.15 15.83 Favored 'General case' 0 C--N 1.307 -1.255 0 N-CA-C 108.384 -0.969 . . . . 0.0 108.384 179.18 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 5' ' ' TRP . . . . . . . . . . . . . 18.0 p90 -67.34 -22.38 65.6 Favored 'General case' 0 N--CA 1.483 1.213 0 CA-C-O 121.075 0.464 . . . . 0.0 111.567 -174.906 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 6' ' ' MET . . . . . . . . . . . . . 27.5 ttt -82.25 -16.4 49.67 Favored 'General case' 0 C--N 1.312 -1.036 0 CA-C-O 121.715 0.769 . . . . 0.0 110.21 179.435 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 7' ' ' TRP . . . . . . . . . . . . . 46.6 m0 -86.64 -170.47 3.09 Favored 'General case' 0 C--N 1.299 -1.593 0 CA-C-N 115.594 -0.73 . . . . 0.0 110.175 179.392 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 8' ' ' THR . . . . . 0.627 ' HB ' ' O ' ' A' ' 23' ' ' LEU . 61.6 p -126.46 167.32 15.74 Favored 'General case' 0 C--N 1.297 -1.711 0 N-CA-C 107.811 -1.181 . . . . 0.0 107.811 178.71 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 9' ' ' CYS . . . . . 0.518 ' SG ' ' HB2' ' A' ' 15' ' ' CYS . 26.6 p -137.81 -178.13 5.11 Favored 'General case' 0 N--CA 1.434 -1.261 0 C-N-CA 118.515 -1.274 . . . . 0.0 111.028 176.327 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 19.6 m-20 -141.18 -165.65 2.01 Favored 'General case' 0 C--N 1.307 -1.275 0 N-CA-C 107.13 -1.433 . . . . 0.0 107.13 -178.031 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 15.1 m -75.98 -29.92 58.4 Favored 'General case' 0 N--CA 1.431 -1.403 0 N-CA-C 107.179 -1.415 . . . . 0.0 107.179 168.967 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 36.9 mt-10 -77.5 -71.61 0.4 Allowed 'General case' 0 C--O 1.241 0.613 0 CA-C-N 114.742 -1.117 . . . . 0.0 109.021 178.594 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 13' ' ' ARG . . . . . 0.514 ' O ' ' HB2' ' A' ' 9' ' ' CYS . 67.8 mtm180 -66.69 118.75 10.69 Favored 'General case' 0 CA--C 1.503 -0.83 0 N-CA-C 108.24 -1.022 . . . . 0.0 108.24 177.488 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 7.4 ptpp? -104.86 129.35 53.21 Favored 'General case' 0 C--N 1.295 -1.799 0 CA-C-O 121.312 0.577 . . . . 0.0 111.505 -176.207 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 15' ' ' CYS . . . . . 0.518 ' HB2' ' SG ' ' A' ' 9' ' ' CYS . 5.2 t -86.29 160.7 19.06 Favored 'General case' 0 C--N 1.304 -1.403 0 CA-C-N 115.399 -0.819 . . . . 0.0 108.937 -177.497 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 16' ' ' CYS . . . . . 0.417 ' O ' ' HB2' ' A' ' 19' ' ' MET . 72.2 m -68.36 149.85 48.89 Favored 'General case' 0 C--N 1.307 -1.247 0 N-CA-C 113.387 0.884 . . . . 0.0 113.387 -174.151 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 55.1 mttp -72.55 135.46 45.61 Favored 'General case' 0 N--CA 1.429 -1.504 0 N-CA-C 107.401 -1.333 . . . . 0.0 107.401 173.624 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 103.05 2.05 48.58 Favored Glycine 0 C--N 1.287 -2.151 0 N-CA-C 107.93 -2.068 . . . . 0.0 107.93 -168.408 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 19' ' ' MET . . . . . 0.417 ' HB2' ' O ' ' A' ' 16' ' ' CYS . 62.7 mtt -136.07 163.51 30.15 Favored 'General case' 0 N--CA 1.432 -1.375 0 N-CA-C 106.932 -1.507 . . . . 0.0 106.932 175.281 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 59.4 t -105.92 123.83 60.73 Favored 'Isoleucine or valine' 0 C--N 1.284 -2.274 0 N-CA-C 107.099 -1.445 . . . . 0.0 107.099 178.422 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 19.0 t -91.4 115.28 27.9 Favored 'General case' 0 N--CA 1.425 -1.679 0 CA-C-N 115.821 -0.627 . . . . 0.0 109.323 -177.356 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 22' ' ' ARG . . . . . 0.562 ' HA ' ' NE ' ' A' ' 22' ' ' ARG . 1.8 mmp_? -143.52 -159.36 0.97 Allowed 'General case' 0 C--O 1.263 1.768 0 N-CA-C 108.035 -1.098 . . . . 0.0 108.035 177.956 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 23' ' ' LEU . . . . . 0.627 ' O ' ' HB ' ' A' ' 8' ' ' THR . 50.8 mt -54.33 -29.4 47.83 Favored 'General case' 0 C--O 1.219 -0.527 0 CA-C-N 115.242 -0.89 . . . . 0.0 109.83 175.275 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 24' ' ' TRP . . . . . 0.522 ' HA ' ' HA ' ' A' ' 8' ' ' THR . 24.5 p90 -133.02 160.9 35.82 Favored 'General case' 0 N--CA 1.423 -1.791 0 N-CA-C 107.115 -1.439 . . . . 0.0 107.115 174.122 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 66.6 m -86.51 141.75 28.84 Favored 'General case' 0 C--N 1.311 -1.078 0 C-N-CA 120.573 -0.451 . . . . 0.0 110.028 175.978 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 39.3 ttpt -135.41 144.0 46.28 Favored 'General case' 0 C--N 1.298 -1.644 0 N-CA-C 107.848 -1.167 . . . . 0.0 107.848 -178.174 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 23.8 pttm . . . . . 0 C--O 1.245 0.859 0 CA-C-O 121.261 0.553 . . . . 0.0 111.339 -179.596 . . . . . . . . 0 0 . 1 . 019 nuclear build core ' A' A ' 3' ' ' GLN . . . . . 0.54 ' HB2' ' HA ' ' A' ' 15' ' ' CYS . 15.2 mm100 . . . . . 0 N--CA 1.442 -0.857 0 CA-C-O 121.24 0.543 . . . . 0.0 112.231 . . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 66.0 mttm -87.44 171.67 10.38 Favored 'General case' 0 C--N 1.312 -1.049 0 CA-C-N 115.407 -0.815 . . . . 0.0 110.335 -178.71 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 5' ' ' TRP . . . . . . . . . . . . . 39.0 p90 -58.28 -29.39 65.78 Favored 'General case' 0 N--CA 1.477 0.889 0 C-N-CA 124.938 1.295 . . . . 0.0 111.019 -179.019 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 6' ' ' MET . . . . . 0.419 ' HG3' ' CD1' ' A' ' 7' ' ' TRP . 24.8 ptm -84.69 -8.0 59.02 Favored 'General case' 0 C--N 1.31 -1.124 0 CA-C-N 115.104 -0.953 . . . . 0.0 111.78 -177.157 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 7' ' ' TRP . . . . . 0.419 ' CD1' ' HG3' ' A' ' 6' ' ' MET . 47.7 m0 -110.08 -174.94 2.61 Favored 'General case' 0 C--N 1.31 -1.144 0 N-CA-C 109.606 -0.516 . . . . 0.0 109.606 -178.417 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 8' ' ' THR . . . . . 0.558 ' HA ' ' HA ' ' A' ' 24' ' ' TRP . 82.4 p -120.92 169.39 10.5 Favored 'General case' 0 C--N 1.295 -1.802 0 N-CA-C 108.319 -0.993 . . . . 0.0 108.319 -178.922 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 9' ' ' CYS . . . . . 0.665 ' HB2' ' O ' ' A' ' 13' ' ' ARG . 16.1 p -134.62 169.87 16.66 Favored 'General case' 0 N--CA 1.439 -1.001 0 C-N-CA 118.049 -1.46 . . . . 0.0 111.498 178.001 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 42.7 m-20 -141.97 -166.36 2.21 Favored 'General case' 0 C--N 1.313 -0.981 0 N-CA-C 105.835 -1.913 . . . . 0.0 105.835 -179.892 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 43.5 m -70.52 -23.01 62.56 Favored 'General case' 0 C--N 1.312 -1.044 0 CA-C-O 121.574 0.702 . . . . 0.0 109.555 174.518 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 26.7 mt-10 -84.95 -70.22 0.6 Allowed 'General case' 0 C--N 1.319 -0.735 0 CA-C-N 115.183 -0.917 . . . . 0.0 109.762 179.469 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 13' ' ' ARG . . . . . 0.665 ' O ' ' HB2' ' A' ' 9' ' ' CYS . 64.8 mtm180 -75.74 114.19 14.06 Favored 'General case' 0 C--O 1.202 -1.44 0 N-CA-C 108.132 -1.062 . . . . 0.0 108.132 178.62 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 21.5 ptmt -106.71 141.79 37.41 Favored 'General case' 0 C--N 1.305 -1.344 0 CA-C-N 118.905 0.775 . . . . 0.0 112.222 178.001 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 15' ' ' CYS . . . . . 0.568 ' SG ' ' HA ' ' A' ' 21' ' ' CYS . 59.2 m -65.94 150.65 48.29 Favored 'General case' 0 C--O 1.243 0.751 0 C-N-CA 122.817 0.447 . . . . 0.0 110.67 179.111 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 93.9 m -64.62 167.33 7.38 Favored 'General case' 0 C--N 1.309 -1.167 0 N-CA-C 112.732 0.642 . . . . 0.0 112.732 -179.797 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 12.6 mptt -70.26 131.24 43.89 Favored 'General case' 0 N--CA 1.435 -1.181 0 CA-C-O 121.359 0.6 . . . . 0.0 110.851 -177.448 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 100.14 6.29 53.84 Favored Glycine 0 N--CA 1.431 -1.659 0 N-CA-C 109.664 -1.374 . . . . 0.0 109.664 -175.948 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 19' ' ' MET . . . . . . . . . . . . . 63.9 mtt -123.64 159.45 29.29 Favored 'General case' 0 N--CA 1.429 -1.512 0 N-CA-C 109.576 -0.528 . . . . 0.0 109.576 179.027 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 59.6 t -105.81 126.76 61.17 Favored 'Isoleucine or valine' 0 C--N 1.289 -2.024 0 N-CA-C 107.053 -1.462 . . . . 0.0 107.053 179.863 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 21' ' ' CYS . . . . . 0.568 ' HA ' ' SG ' ' A' ' 15' ' ' CYS . 11.2 t -90.99 125.46 35.8 Favored 'General case' 0 C--N 1.305 -1.33 0 N-CA-C 109.269 -0.641 . . . . 0.0 109.269 -176.084 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 22' ' ' ARG . . . . . 0.677 ' HG2' ' H ' ' A' ' 23' ' ' LEU . 44.7 ttt180 -161.76 -163.47 0.97 Allowed 'General case' 0 N--CA 1.425 -1.69 0 N-CA-C 106.237 -1.764 . . . . 0.0 106.237 179.137 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 23' ' ' LEU . . . . . 0.677 ' H ' ' HG2' ' A' ' 22' ' ' ARG . 2.9 mm? -50.77 -21.89 1.86 Allowed 'General case' 0 N--CA 1.475 0.8 0 C-N-CA 123.878 0.871 . . . . 0.0 111.772 177.555 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 24' ' ' TRP . . . . . 0.558 ' HA ' ' HA ' ' A' ' 8' ' ' THR . 19.7 p90 -144.52 158.75 43.61 Favored 'General case' 0 N--CA 1.425 -1.683 0 N-CA-C 107.238 -1.393 . . . . 0.0 107.238 172.498 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 85.2 m -86.68 138.12 31.91 Favored 'General case' 0 C--N 1.315 -0.912 0 CA-C-O 121.226 0.536 . . . . 0.0 110.487 178.421 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 39.5 ttmt -132.84 141.14 48.28 Favored 'General case' 0 C--N 1.294 -1.842 0 N-CA-C 108.109 -1.071 . . . . 0.0 108.109 -178.157 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 97.6 mttt . . . . . 0 C--N 1.309 -1.178 0 N-CA-C 108.87 -0.789 . . . . 0.0 108.87 176.394 . . . . . . . . 0 0 . 1 . 020 nuclear build core ' A' A ' 3' ' ' GLN . . . . . 0.439 ' HB2' ' HA ' ' A' ' 15' ' ' CYS . 11.0 mm100 . . . . . 0 N--CA 1.442 -0.826 0 CA-C-O 121.091 0.472 . . . . 0.0 111.949 . . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 94.1 mttt -94.22 169.38 10.29 Favored 'General case' 0 C--N 1.314 -0.956 0 CA-C-N 115.153 -0.931 . . . . 0.0 109.137 178.907 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 5' ' ' TRP . . . . . . . . . . . . . 46.7 p90 -61.56 -26.67 68.1 Favored 'General case' 0 N--CA 1.477 0.877 0 C-N-CA 123.961 0.905 . . . . 0.0 112.619 -175.992 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 6' ' ' MET . . . . . . . . . . . . . 27.6 ttt -85.59 -11.63 53.51 Favored 'General case' 0 C--N 1.31 -1.148 0 CA-C-O 121.968 0.889 . . . . 0.0 110.249 -178.859 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 7' ' ' TRP . . . . . . . . . . . . . 35.8 m0 -98.71 -176.78 3.45 Favored 'General case' 0 C--N 1.293 -1.884 0 CA-C-N 114.999 -1.001 . . . . 0.0 109.516 -177.767 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 8' ' ' THR . . . . . 0.566 ' HA ' ' HA ' ' A' ' 24' ' ' TRP . 82.4 p -125.97 164.57 20.51 Favored 'General case' 0 C--N 1.304 -1.392 0 N-CA-C 108.295 -1.002 . . . . 0.0 108.295 179.294 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 9' ' ' CYS . . . . . 0.598 ' SG ' ' HB2' ' A' ' 15' ' ' CYS . 30.2 p -136.8 161.99 34.46 Favored 'General case' 0 N--CA 1.444 -0.763 0 C-N-CA 117.767 -1.573 . . . . 0.0 111.012 177.204 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 26.3 m-20 -150.27 -144.18 0.15 Allowed 'General case' 0 C--N 1.32 -0.708 0 N-CA-C 107.71 -1.219 . . . . 0.0 107.71 -179.448 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 15.9 t -75.0 -45.36 42.45 Favored 'General case' 0 CA--C 1.548 0.891 0 CA-C-N 118.184 0.447 . . . . 0.0 111.706 -175.959 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 23.5 mm-40 -82.23 -42.35 19.04 Favored 'General case' 0 C--N 1.322 -0.587 0 CA-C-O 121.401 0.62 . . . . 0.0 111.598 -176.409 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 13' ' ' ARG . . . . . 0.458 ' HA ' ' HE ' ' A' ' 13' ' ' ARG . 2.9 mmp_? -93.99 111.96 23.73 Favored 'General case' 0 C--N 1.297 -1.706 0 N-CA-C 108.537 -0.912 . . . . 0.0 108.537 176.442 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 28.1 mtpp -101.19 140.32 35.65 Favored 'General case' 0 C--N 1.286 -2.184 0 N-CA-C 109.046 -0.724 . . . . 0.0 109.046 -178.7 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 15' ' ' CYS . . . . . 0.598 ' HB2' ' SG ' ' A' ' 9' ' ' CYS . 8.4 t -84.61 162.38 19.78 Favored 'General case' 0 C--N 1.296 -1.748 0 CA-C-N 115.961 -0.563 . . . . 0.0 109.697 -177.031 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 80.2 m -77.98 145.71 35.85 Favored 'General case' 0 C--N 1.297 -1.694 0 CA-C-O 121.258 0.552 . . . . 0.0 111.55 -176.916 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -66.31 140.29 58.1 Favored 'General case' 0 C--N 1.323 -0.543 0 CA-C-N 115.927 -0.578 . . . . 0.0 110.322 177.689 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 112.08 -20.76 21.25 Favored Glycine 0 C--N 1.306 -1.124 0 N-CA-C 108.379 -1.888 . . . . 0.0 108.379 -171.928 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 19' ' ' MET . . . . . . . . . . . . . 63.1 mtt -114.3 173.45 6.44 Favored 'General case' 0 N--CA 1.438 -1.04 0 N-CA-C 107.607 -1.257 . . . . 0.0 107.607 175.953 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 61.1 t -106.41 127.23 61.9 Favored 'Isoleucine or valine' 0 C--N 1.282 -2.333 0 N-CA-C 106.722 -1.584 . . . . 0.0 106.722 175.082 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 25.7 t -83.2 107.58 15.85 Favored 'General case' 0 N--CA 1.425 -1.713 0 N-CA-C 107.353 -1.351 . . . . 0.0 107.353 179.009 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 22' ' ' ARG . . . . . 0.587 ' HG3' ' H ' ' A' ' 23' ' ' LEU . 13.8 tpp180 -139.08 -168.0 2.34 Favored 'General case' 0 C--O 1.273 2.298 0 N-CA-C 107.011 -1.477 . . . . 0.0 107.011 -174.053 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 23' ' ' LEU . . . . . 0.587 ' H ' ' HG3' ' A' ' 22' ' ' ARG . 70.0 mt -48.04 -28.96 3.12 Favored 'General case' 0 N--CA 1.47 0.535 0 C-N-CA 125.043 1.337 . . . . 0.0 110.503 176.234 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 24' ' ' TRP . . . . . 0.566 ' HA ' ' HA ' ' A' ' 8' ' ' THR . 32.0 p90 -141.31 163.9 31.7 Favored 'General case' 0 N--CA 1.415 -2.188 0 N-CA-C 105.432 -2.062 . . . . 0.0 105.432 173.206 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 53.2 m -80.84 128.64 33.89 Favored 'General case' 0 C--N 1.303 -1.419 0 CA-C-N 118.748 0.704 . . . . 0.0 110.693 176.162 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 87.0 tttt -130.86 122.05 26.36 Favored 'General case' 0 C--N 1.289 -2.041 0 CA-C-N 115.505 -0.771 . . . . 0.0 109.087 -174.913 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 27.7 mtpp . . . . . 0 C--N 1.312 -1.041 0 CA-C-O 121.038 0.447 . . . . 0.0 110.338 179.388 . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 1' ' ' TYR . . . . . . . . . . . . . 85.9 m-85 . . . . . 0 CA--C 1.497 -1.075 0 N-CA-C 108.584 -0.895 . . . . 0.0 108.584 . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 2' ' ' CYS . . . . . . . . . . . . . 25.1 p -89.46 157.14 18.24 Favored 'General case' 0 C--N 1.299 -1.601 0 N-CA-C 106.073 -1.825 . . . . 0.0 106.073 168.868 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 3' ' ' GLN . . . . . 0.548 ' HB2' ' HA ' ' A' ' 15' ' ' CYS . 13.5 mm100 -82.76 124.84 30.64 Favored 'General case' 0 C--N 1.298 -1.652 0 CA-C-O 121.579 0.704 . . . . 0.0 111.196 -175.163 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 59.3 mtpt -77.05 173.69 11.51 Favored 'General case' 0 C--N 1.317 -0.833 0 CA-C-N 113.934 -1.484 . . . . 0.0 111.437 -176.565 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 5' ' ' TRP . . . . . . . . . . . . . 12.5 p-90 -61.25 -31.82 71.62 Favored 'General case' 0 N--CA 1.478 0.949 0 N-CA-C 111.974 0.361 . . . . 0.0 111.974 -175.529 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 6' ' ' MET . . . . . . . . . . . . . 22.9 ptp -93.02 8.38 40.18 Favored 'General case' 0 N--CA 1.442 -0.841 0 CA-C-O 121.566 0.698 . . . . 0.0 110.683 -178.386 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 7' ' ' TRP . . . . . . . . . . . . . 38.2 m0 -107.22 -178.37 3.62 Favored 'General case' 0 C--O 1.255 1.37 0 N-CA-C 108.764 -0.828 . . . . 0.0 108.764 179.508 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 8' ' ' THR . . . . . 0.522 ' HA ' ' HA ' ' A' ' 24' ' ' TRP . 66.4 p -130.29 165.1 23.17 Favored 'General case' 0 C--N 1.305 -1.36 0 N-CA-C 108.182 -1.044 . . . . 0.0 108.182 -178.924 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 9' ' ' CYS . . . . . 0.677 ' HB2' ' O ' ' A' ' 13' ' ' ARG . 25.2 p -123.57 -179.67 4.44 Favored 'General case' 0 C--O 1.248 1.002 0 C-N-CA 116.897 -1.921 . . . . 0.0 111.827 176.927 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 10' ' ' ASP . . . . . 0.436 ' CG ' ' H ' ' A' ' 11' ' ' SER . 31.7 t70 -150.37 -167.01 2.7 Favored 'General case' 0 C--N 1.317 -0.808 0 N-CA-C 106.579 -1.638 . . . . 0.0 106.579 -175.779 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 11' ' ' SER . . . . . 0.436 ' H ' ' CG ' ' A' ' 10' ' ' ASP . 14.3 m -72.87 -28.94 62.81 Favored 'General case' 0 C--N 1.307 -1.269 0 N-CA-C 108.823 -0.806 . . . . 0.0 108.823 178.17 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 35.7 mt-10 -93.29 -53.82 3.94 Favored 'General case' 0 N--CA 1.447 -0.621 0 CA-C-N 115.714 -0.675 . . . . 0.0 109.983 177.851 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 13' ' ' ARG . . . . . 0.677 ' O ' ' HB2' ' A' ' 9' ' ' CYS . 55.0 mtm180 -71.26 118.47 14.09 Favored 'General case' 0 C--O 1.217 -0.655 0 CA-C-N 116.126 -0.488 . . . . 0.0 109.879 -179.629 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 99.7 mttt -105.23 143.09 33.89 Favored 'General case' 0 C--N 1.314 -0.966 0 CA-C-N 117.593 0.179 . . . . 0.0 110.806 178.485 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 15' ' ' CYS . . . . . 0.548 ' HA ' ' HB2' ' A' ' 3' ' ' GLN . 82.5 m -75.75 151.35 37.62 Favored 'General case' 0 C--N 1.317 -0.821 0 N-CA-C 109.488 -0.56 . . . . 0.0 109.488 175.98 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 55.3 m -61.81 142.95 57.0 Favored 'General case' 0 C--N 1.309 -1.195 0 N-CA-C 109.701 -0.481 . . . . 0.0 109.701 177.982 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 97.1 mttt -58.76 136.04 57.63 Favored 'General case' 0 C--O 1.241 0.624 0 C-N-CA 122.961 0.504 . . . . 0.0 110.634 -178.47 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 111.94 -16.35 25.58 Favored Glycine 0 C--N 1.305 -1.194 0 N-CA-C 108.83 -1.708 . . . . 0.0 108.83 -174.495 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 19' ' ' MET . . . . . 0.578 ' HG2' ' HA ' ' A' ' 27' ' ' LYS . 71.0 mtm -122.12 161.07 23.78 Favored 'General case' 0 N--CA 1.432 -1.346 0 N-CA-C 107.245 -1.391 . . . . 0.0 107.245 174.999 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 26.9 m -106.86 144.28 16.16 Favored 'Isoleucine or valine' 0 C--N 1.292 -1.933 0 N-CA-C 110.098 -0.334 . . . . 0.0 110.098 -179.678 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 29.8 t -79.92 126.79 31.46 Favored 'General case' 0 C--N 1.306 -1.318 0 N-CA-C 108.952 -0.759 . . . . 0.0 108.952 179.935 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 22' ' ' ARG . . . . . 0.404 ' N ' ' SG ' ' A' ' 9' ' ' CYS . 10.5 tpp180 -159.05 -174.53 4.78 Favored 'General case' 0 C--O 1.278 2.593 0 N-CA-C 106.517 -1.66 . . . . 0.0 106.517 -176.747 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 23' ' ' LEU . . . . . 0.412 ' O ' ' HB ' ' A' ' 8' ' ' THR . 96.0 mt -45.79 -32.88 2.77 Favored 'General case' 0 N--CA 1.471 0.587 0 C-N-CA 123.68 0.792 . . . . 0.0 110.553 174.878 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 24' ' ' TRP . . . . . 0.522 ' HA ' ' HA ' ' A' ' 8' ' ' THR . 12.9 p90 -137.73 161.9 35.32 Favored 'General case' 0 N--CA 1.42 -1.974 0 N-CA-C 105.997 -1.853 . . . . 0.0 105.997 173.343 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 77.8 m -80.49 120.35 24.36 Favored 'General case' 0 C--N 1.307 -1.282 0 CA-C-N 118.514 0.597 . . . . 0.0 110.553 178.945 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 29.1 ttpp -119.59 133.39 55.68 Favored 'General case' 0 C--N 1.306 -1.292 0 CA-C-N 115.958 -0.564 . . . . 0.0 110.158 -175.001 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 27' ' ' LYS . . . . . 0.578 ' HA ' ' HG2' ' A' ' 19' ' ' MET . 60.7 pttt -58.0 140.17 52.94 Favored 'General case' 0 C--O 1.242 0.668 0 CA-C-O 121.172 0.51 . . . . 0.0 111.266 177.95 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 62.5 tttp -79.44 97.77 6.52 Favored 'General case' 0 N--CA 1.426 -1.656 0 CA-C-O 121.709 0.766 . . . . 0.0 110.039 -176.789 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 48.0 tp -85.0 -26.89 26.8 Favored 'General case' 0 C--N 1.303 -1.452 0 CA-C-N 114.767 -1.106 . . . . 0.0 108.337 179.308 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 30' ' ' TRP . . . . . . . . . . . . . 64.4 t90 . . . . . 0 N--CA 1.428 -1.527 0 N-CA-C 106.988 -1.486 . . . . 0.0 106.988 178.821 . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 1' ' ' TYR . . . . . . . . . . . . . 60.7 m-85 . . . . . 0 C--O 1.241 0.654 0 N-CA-C 108.847 -0.797 . . . . 0.0 108.847 . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 2' ' ' CYS . . . . . . . . . . . . . 20.1 t -151.39 132.39 14.28 Favored 'General case' 0 CA--C 1.481 -1.703 0 N-CA-C 104.264 -2.495 . . . . 0.0 104.264 171.051 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 3' ' ' GLN . . . . . 0.582 ' HB2' ' HA ' ' A' ' 15' ' ' CYS . 12.2 mm100 -86.93 130.98 34.23 Favored 'General case' 0 C--N 1.268 -2.946 0 C-N-CA 119.903 -0.719 . . . . 0.0 111.582 -172.565 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 14.0 mmmm -88.79 170.46 10.74 Favored 'General case' 0 C--N 1.303 -1.422 0 CA-C-N 114.774 -1.103 . . . . 0.0 109.23 179.312 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 5' ' ' TRP . . . . . . . . . . . . . 11.4 p-90 -72.86 -11.79 60.73 Favored 'General case' 0 C--N 1.318 -0.764 0 CA-C-O 121.363 0.601 . . . . 0.0 110.254 -177.417 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 6' ' ' MET . . . . . 0.51 ' HG3' ' CD1' ' A' ' 7' ' ' TRP . 26.6 ptm -88.08 -5.9 58.21 Favored 'General case' 0 C--N 1.31 -1.114 0 CA-C-N 115.641 -0.709 . . . . 0.0 110.031 179.039 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 7' ' ' TRP . . . . . 0.51 ' CD1' ' HG3' ' A' ' 6' ' ' MET . 36.9 m0 -116.96 -174.28 2.55 Favored 'General case' 0 C--O 1.241 0.637 0 CA-C-O 121.251 0.548 . . . . 0.0 109.932 -178.77 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 8' ' ' THR . . . . . 0.616 ' HB ' ' O ' ' A' ' 23' ' ' LEU . 70.1 p -122.66 161.63 23.47 Favored 'General case' 0 C--N 1.298 -1.652 0 N-CA-C 107.66 -1.237 . . . . 0.0 107.66 -179.83 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 9.4 p -121.56 140.2 52.53 Favored 'General case' 0 CA--C 1.499 -0.992 0 C-N-CA 117.326 -1.75 . . . . 0.0 112.077 176.125 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 10' ' ' ASP . . . . . 0.56 ' H ' ' HB2' ' A' ' 13' ' ' ARG . 4.6 m-20 -94.25 -170.58 2.32 Favored 'General case' 0 C--N 1.294 -1.821 0 N-CA-C 107.166 -1.42 . . . . 0.0 107.166 176.307 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 8.0 m -64.67 -45.21 87.67 Favored 'General case' 0 C--N 1.307 -1.275 0 CA-C-O 120.956 0.408 . . . . 0.0 111.29 -175.932 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 38.6 mm-40 -92.33 -1.42 57.07 Favored 'General case' 0 C--N 1.322 -0.614 0 N-CA-C 111.997 0.369 . . . . 0.0 111.997 -178.803 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 13' ' ' ARG . . . . . 0.56 ' HB2' ' H ' ' A' ' 10' ' ' ASP . 6.7 mmp_? -85.53 117.7 24.59 Favored 'General case' 0 CA--C 1.493 -1.22 0 C-N-CA 119.557 -0.857 . . . . 0.0 109.806 177.16 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 59.4 mtpt -91.05 110.3 21.56 Favored 'General case' 0 C--N 1.277 -2.584 0 CA-C-N 114.967 -1.015 . . . . 0.0 109.214 -179.738 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 15' ' ' CYS . . . . . 0.582 ' HA ' ' HB2' ' A' ' 3' ' ' GLN . 18.1 t -79.5 152.39 30.23 Favored 'General case' 0 C--N 1.3 -1.575 0 CA-C-N 114.818 -1.083 . . . . 0.0 108.273 -179.331 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 80.5 m -62.46 147.12 49.73 Favored 'General case' 0 C--N 1.311 -1.068 0 N-CA-C 113.269 0.841 . . . . 0.0 113.269 -174.805 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 85.9 tttt -68.14 128.69 37.48 Favored 'General case' 0 N--CA 1.442 -0.85 0 CA-C-N 115.574 -0.739 . . . . 0.0 110.846 -175.806 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 112.65 -16.47 23.79 Favored Glycine 0 C--N 1.302 -1.357 0 N-CA-C 109.501 -1.44 . . . . 0.0 109.501 -175.193 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 19' ' ' MET . . . . . 0.402 ' HG2' ' HA ' ' A' ' 27' ' ' LYS . 65.2 mtt -103.82 159.72 15.4 Favored 'General case' 0 C--N 1.31 -1.15 0 N-CA-C 107.862 -1.162 . . . . 0.0 107.862 176.828 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 90.8 t -105.84 122.2 59.1 Favored 'Isoleucine or valine' 0 C--N 1.283 -2.315 0 N-CA-C 107.866 -1.161 . . . . 0.0 107.866 177.658 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 28.0 t -77.26 131.31 38.11 Favored 'General case' 0 N--CA 1.425 -1.686 0 N-CA-C 108.56 -0.904 . . . . 0.0 108.56 -179.222 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 22' ' ' ARG . . . . . 0.586 ' HA ' ' HE ' ' A' ' 22' ' ' ARG . 2.1 tpm_? -159.69 -170.79 3.03 Favored 'General case' 0 N--CA 1.415 -2.22 0 N-CA-C 104.775 -2.306 . . . . 0.0 104.775 -177.757 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 23' ' ' LEU . . . . . 0.616 ' O ' ' HB ' ' A' ' 8' ' ' THR . 93.9 mt -51.05 -24.1 3.59 Favored 'General case' 0 N--CA 1.471 0.594 0 C-N-CA 123.219 0.608 . . . . 0.0 110.454 174.374 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 24' ' ' TRP . . . . . 0.513 ' HA ' ' HA ' ' A' ' 8' ' ' THR . 16.5 p90 -135.62 159.14 42.53 Favored 'General case' 0 N--CA 1.425 -1.715 0 N-CA-C 106.512 -1.662 . . . . 0.0 106.512 173.074 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 32.7 m -86.14 129.88 34.7 Favored 'General case' 0 C--N 1.31 -1.142 0 CA-C-N 118.821 0.737 . . . . 0.0 110.37 174.66 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 63.5 tttp -113.81 123.4 49.74 Favored 'General case' 0 C--N 1.298 -1.638 0 N-CA-C 108.105 -1.072 . . . . 0.0 108.105 -176.907 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 27' ' ' LYS . . . . . 0.402 ' HA ' ' HG2' ' A' ' 19' ' ' MET . 23.9 pttm -83.0 170.75 14.56 Favored 'General case' 0 C--O 1.25 1.127 0 N-CA-C 108.969 -0.752 . . . . 0.0 108.969 -177.797 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 19.3 pttp -68.31 155.62 39.39 Favored 'General case' 0 C--O 1.25 1.101 0 C-N-CA 120.706 -0.398 . . . . 0.0 110.331 178.22 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 47.7 tp -54.07 -43.9 70.68 Favored 'General case' 0 C--O 1.242 0.706 0 C-N-CA 123.755 0.822 . . . . 0.0 111.966 -173.764 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 30' ' ' TRP . . . . . . . . . . . . . 67.2 t-105 . . . . . 0 C--N 1.308 -1.204 0 N-CA-C 108.368 -0.975 . . . . 0.0 108.368 177.202 . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 1' ' ' TYR . . . . . 0.503 ' HD1' ' SG ' ' A' ' 2' ' ' CYS . 45.8 t80 . . . . . 0 C--O 1.236 0.37 0 N-CA-C 109.18 -0.674 . . . . 0.0 109.18 . . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 2' ' ' CYS . . . . . 0.503 ' SG ' ' HD1' ' A' ' 1' ' ' TYR . 22.2 p -156.56 161.29 39.97 Favored 'General case' 0 N--CA 1.441 -0.876 0 N-CA-C 109.465 -0.568 . . . . 0.0 109.465 178.312 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 3' ' ' GLN . . . . . 0.502 ' HG2' ' O ' ' A' ' 14' ' ' LYS . 10.3 mm100 -83.51 129.66 34.98 Favored 'General case' 0 C--N 1.297 -1.713 0 N-CA-C 109.195 -0.669 . . . . 0.0 109.195 -179.617 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 63.6 mttm -83.14 177.18 8.69 Favored 'General case' 0 C--N 1.31 -1.133 0 CA-C-N 115.459 -0.791 . . . . 0.0 109.805 -178.753 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 5' ' ' TRP . . . . . . . . . . . . . 44.3 p90 -65.61 -25.89 67.59 Favored 'General case' 0 C--N 1.323 -0.578 0 N-CA-C 112.573 0.583 . . . . 0.0 112.573 -174.966 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 6' ' ' MET . . . . . . . . . . . . . 56.3 ttp -90.21 -4.03 57.47 Favored 'General case' 0 C--N 1.316 -0.865 0 CA-C-O 122.646 1.212 . . . . 0.0 109.71 179.505 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 7' ' ' TRP . . . . . . . . . . . . . 13.7 m0 -96.08 -176.81 3.8 Favored 'General case' 0 C--N 1.292 -1.916 0 CA-C-N 114.539 -1.21 . . . . 0.0 109.077 -178.697 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 8' ' ' THR . . . . . 0.619 ' HA ' ' HA ' ' A' ' 24' ' ' TRP . 38.3 p -132.11 154.65 49.26 Favored 'General case' 0 C--N 1.298 -1.672 0 N-CA-C 108.18 -1.045 . . . . 0.0 108.18 -178.219 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 9' ' ' CYS . . . . . 0.433 ' HB2' ' O ' ' A' ' 13' ' ' ARG . 26.6 p -128.18 176.75 7.42 Favored 'General case' 0 C--O 1.249 1.073 0 C-N-CA 117.319 -1.752 . . . . 0.0 112.494 -179.76 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 14.1 m-20 -148.52 -166.98 2.69 Favored 'General case' 0 C--N 1.309 -1.164 0 N-CA-C 106.815 -1.55 . . . . 0.0 106.815 -177.762 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 12.6 t -74.85 -36.84 62.33 Favored 'General case' 0 N--CA 1.426 -1.672 0 N-CA-C 107.414 -1.328 . . . . 0.0 107.414 174.587 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 46.1 mt-10 -73.93 -57.01 4.26 Favored 'General case' 0 N--CA 1.451 -0.4 0 CA-C-N 115.825 -0.625 . . . . 0.0 111.019 177.53 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 13' ' ' ARG . . . . . 0.433 ' O ' ' HB2' ' A' ' 9' ' ' CYS . 70.9 mtm180 -76.47 112.0 12.53 Favored 'General case' 0 C--N 1.324 -0.531 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.178 -178.903 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 14' ' ' LYS . . . . . 0.502 ' O ' ' HG2' ' A' ' 3' ' ' GLN . 75.1 mmtt -87.05 141.32 28.75 Favored 'General case' 0 CA--C 1.492 -1.262 0 CA-C-O 121.219 0.533 . . . . 0.0 110.659 -177.03 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 22.5 t -94.05 160.05 14.89 Favored 'General case' 0 C--N 1.27 -2.854 0 CA-C-N 115.188 -0.915 . . . . 0.0 109.133 -176.747 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 16' ' ' CYS . . . . . 0.438 ' HB2' ' SD ' ' A' ' 19' ' ' MET . 79.1 m -70.75 153.98 42.27 Favored 'General case' 0 C--O 1.254 1.312 0 CA-C-O 121.561 0.696 . . . . 0.0 112.178 -177.635 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 27.2 ttpp -66.83 137.59 56.71 Favored 'General case' 0 C--O 1.247 0.937 0 N-CA-C 108.688 -0.856 . . . . 0.0 108.688 177.445 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 95.98 5.87 59.45 Favored Glycine 0 N--CA 1.432 -1.623 0 N-CA-C 109.88 -1.288 . . . . 0.0 109.88 -176.26 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 19' ' ' MET . . . . . 0.438 ' SD ' ' HB2' ' A' ' 16' ' ' CYS . 52.6 mtt -125.35 160.7 28.71 Favored 'General case' 0 N--CA 1.432 -1.372 0 N-CA-C 109.624 -0.51 . . . . 0.0 109.624 176.323 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 20' ' ' VAL . . . . . 0.492 ' HB ' ' HB3' ' A' ' 26' ' ' LYS . 77.0 t -106.91 125.8 62.92 Favored 'Isoleucine or valine' 0 C--N 1.278 -2.521 0 N-CA-C 106.684 -1.599 . . . . 0.0 106.684 178.78 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 18.8 t -81.59 131.97 35.29 Favored 'General case' 0 C--N 1.304 -1.406 0 C-N-CA 120.519 -0.472 . . . . 0.0 109.737 -177.414 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 22' ' ' ARG . . . . . 0.481 ' HG3' ' H ' ' A' ' 23' ' ' LEU . 16.2 tpp180 -158.18 -169.84 2.93 Favored 'General case' 0 C--O 1.278 2.558 0 N-CA-C 105.377 -2.083 . . . . 0.0 105.377 -177.523 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 23' ' ' LEU . . . . . 0.55 ' O ' ' HB ' ' A' ' 8' ' ' THR . 92.3 mt -52.01 -29.39 20.67 Favored 'General case' 0 N--CA 1.471 0.594 0 CA-C-O 121.052 0.454 . . . . 0.0 110.134 174.817 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 24' ' ' TRP . . . . . 0.619 ' HA ' ' HA ' ' A' ' 8' ' ' THR . 27.3 p90 -130.88 167.84 18.28 Favored 'General case' 0 N--CA 1.427 -1.588 0 N-CA-C 106.106 -1.813 . . . . 0.0 106.106 173.252 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 34.3 m -86.88 127.81 35.05 Favored 'General case' 0 C--N 1.3 -1.544 0 C-N-CA 119.159 -1.017 . . . . 0.0 111.438 176.025 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 26' ' ' LYS . . . . . 0.492 ' HB3' ' HB ' ' A' ' 20' ' ' VAL . 84.9 tttt -109.19 151.41 26.52 Favored 'General case' 0 C--N 1.294 -1.834 0 N-CA-C 107.098 -1.445 . . . . 0.0 107.098 -178.292 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 92.4 mttt -83.56 145.89 28.63 Favored 'General case' 0 C--N 1.29 -2.005 0 N-CA-C 109.578 -0.527 . . . . 0.0 109.578 179.893 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 26.4 tptp -88.05 106.6 18.26 Favored 'General case' 0 C--N 1.304 -1.391 0 N-CA-C 106.034 -1.839 . . . . 0.0 106.034 177.1 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 5.1 mp -78.0 -48.01 17.17 Favored 'General case' 0 C--N 1.304 -1.412 0 N-CA-C 109.397 -0.594 . . . . 0.0 109.397 -178.414 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 30' ' ' TRP . . . . . . . . . . . . . 18.3 m-90 . . . . . 0 C--N 1.307 -1.252 0 N-CA-C 107.868 -1.16 . . . . 0.0 107.868 179.08 . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 1' ' ' TYR . . . . . . . . . . . . . 61.6 t80 . . . . . 0 CA--C 1.504 -0.813 0 N-CA-C 108.041 -1.096 . . . . 0.0 108.041 . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 2' ' ' CYS . . . . . . . . . . . . . 22.4 t -84.76 141.44 30.52 Favored 'General case' 0 N--CA 1.418 -2.062 0 N-CA-C 104.925 -2.25 . . . . 0.0 104.925 171.917 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 13.5 mm100 -99.87 142.04 31.88 Favored 'General case' 0 C--N 1.273 -2.733 0 C-N-CA 119.941 -0.704 . . . . 0.0 111.515 -172.496 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 94.3 mttt -94.36 168.8 10.66 Favored 'General case' 0 C--N 1.307 -1.25 0 CA-C-N 114.882 -1.054 . . . . 0.0 108.388 179.254 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 5' ' ' TRP . . . . . . . . . . . . . 29.7 p-90 -62.57 -24.06 67.34 Favored 'General case' 0 N--CA 1.484 1.234 0 CA-C-O 121.834 0.826 . . . . 0.0 109.78 179.318 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 6' ' ' MET . . . . . . . . . . . . . 49.1 ttm -78.74 -24.66 44.68 Favored 'General case' 0 N--CA 1.425 -1.717 0 CA-C-N 114.22 -1.355 . . . . 0.0 111.013 -175.621 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 7' ' ' TRP . . . . . . . . . . . . . 38.5 m0 -94.46 174.77 6.96 Favored 'General case' 0 C--N 1.304 -1.411 0 CA-C-N 116.013 -0.54 . . . . 0.0 110.325 -178.11 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 8' ' ' THR . . . . . 0.549 HG22 ' HA ' ' A' ' 24' ' ' TRP . 75.1 p -122.17 173.94 7.27 Favored 'General case' 0 C--N 1.29 -2.018 0 N-CA-C 108.905 -0.776 . . . . 0.0 108.905 -176.185 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 9' ' ' CYS . . . . . 0.697 ' HB3' ' SG ' ' A' ' 15' ' ' CYS . 11.4 p -120.51 169.21 10.56 Favored 'General case' 0 C--O 1.251 1.141 0 C-N-CA 117.093 -1.843 . . . . 0.0 110.406 174.602 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 24.4 m-20 -137.42 -152.54 0.44 Allowed 'General case' 0 C--N 1.31 -1.114 0 N-CA-C 104.704 -2.332 . . . . 0.0 104.704 178.964 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 50.4 m -78.52 -38.02 41.65 Favored 'General case' 0 C--N 1.312 -1.057 0 C-N-CA 119.569 -0.852 . . . . 0.0 110.263 174.083 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 2.5 mp0 -87.13 -55.7 3.7 Favored 'General case' 0 C--O 1.233 0.223 0 C-N-CA 120.665 -0.414 . . . . 0.0 112.053 -178.987 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 13' ' ' ARG . . . . . 0.552 ' O ' ' HB2' ' A' ' 9' ' ' CYS . 57.1 mtm180 -71.18 111.59 6.65 Favored 'General case' 0 CA--C 1.505 -0.752 0 N-CA-C 108.153 -1.054 . . . . 0.0 108.153 175.035 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 23.0 pttp -106.2 148.3 28.06 Favored 'General case' 0 C--N 1.298 -1.631 0 N-CA-C 109.917 -0.401 . . . . 0.0 109.917 176.496 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 15' ' ' CYS . . . . . 0.697 ' SG ' ' HB3' ' A' ' 9' ' ' CYS . 61.2 m -75.52 147.72 39.53 Favored 'General case' 0 C--N 1.307 -1.259 0 N-CA-C 109.096 -0.705 . . . . 0.0 109.096 178.671 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 74.2 m -72.18 162.18 29.83 Favored 'General case' 0 C--N 1.306 -1.299 0 CA-C-O 120.635 0.255 . . . . 0.0 111.566 -178.221 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 65.1 tttm -62.08 131.7 50.41 Favored 'General case' 0 N--CA 1.442 -0.866 0 N-CA-C 109.387 -0.597 . . . . 0.0 109.387 179.229 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 112.29 -11.64 26.36 Favored Glycine 0 C--N 1.301 -1.389 0 N-CA-C 108.16 -1.976 . . . . 0.0 108.16 -171.622 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 19' ' ' MET . . . . . . . . . . . . . 65.0 mtt -134.11 157.36 46.37 Favored 'General case' 0 N--CA 1.429 -1.518 0 N-CA-C 106.803 -1.554 . . . . 0.0 106.803 175.569 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 29.3 m -108.53 141.7 23.09 Favored 'Isoleucine or valine' 0 C--N 1.279 -2.461 0 N-CA-C 108.764 -0.828 . . . . 0.0 108.764 174.001 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 21' ' ' CYS . . . . . 0.417 ' HA ' ' SG ' ' A' ' 15' ' ' CYS . 46.7 t -68.75 110.15 4.18 Favored 'General case' 0 N--CA 1.439 -0.996 0 N-CA-C 107.027 -1.471 . . . . 0.0 107.027 177.973 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 6.4 tpt180 -145.27 -169.92 3.31 Favored 'General case' 0 C--O 1.281 2.752 0 N-CA-C 108.228 -1.027 . . . . 0.0 108.228 -174.759 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 23' ' ' LEU . . . . . 0.452 ' O ' ' HB ' ' A' ' 8' ' ' THR . 82.7 mt -47.29 -45.55 24.28 Favored 'General case' 0 N--CA 1.483 1.217 0 C-N-CA 124.159 0.984 . . . . 0.0 108.975 179.263 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 24' ' ' TRP . . . . . 0.549 ' HA ' HG22 ' A' ' 8' ' ' THR . 37.2 p90 -131.76 159.59 38.02 Favored 'General case' 0 N--CA 1.416 -2.148 0 N-CA-C 104.804 -2.295 . . . . 0.0 104.804 170.481 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 93.4 m -66.98 112.59 4.42 Favored 'General case' 0 C--N 1.314 -0.977 0 CA-C-O 121.847 0.832 . . . . 0.0 110.392 -179.497 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 63.1 tttm -107.8 125.75 51.8 Favored 'General case' 0 N--CA 1.421 -1.917 0 CA-C-N 114.716 -1.129 . . . . 0.0 110.098 -172.571 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 33.5 mmtp -58.95 147.56 33.8 Favored 'General case' 0 CA--C 1.499 -0.987 0 CA-C-O 121.992 0.901 . . . . 0.0 112.163 179.008 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 59.7 tttp -79.81 133.69 36.3 Favored 'General case' 0 C--N 1.284 -2.267 0 N-CA-C 105.852 -1.907 . . . . 0.0 105.852 176.0 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 3.2 pp -58.77 -28.45 65.95 Favored 'General case' 0 C--N 1.315 -0.911 0 N-CA-C 113.538 0.94 . . . . 0.0 113.538 -175.488 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 30' ' ' TRP . . . . . . . . . . . . . 71.3 t-105 . . . . . 0 N--CA 1.434 -1.262 0 N-CA-C 107.076 -1.453 . . . . 0.0 107.076 176.448 . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 1' ' ' TYR . . . . . . . . . . . . . 82.2 t80 . . . . . 0 CA--C 1.534 0.343 0 N-CA-C 110.005 -0.369 . . . . 0.0 110.005 . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 2' ' ' CYS . . . . . . . . . . . . . 42.1 t -124.43 159.46 30.4 Favored 'General case' 0 C--N 1.311 -1.067 0 N-CA-C 108.192 -1.04 . . . . 0.0 108.192 -178.346 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 3' ' ' GLN . . . . . 0.473 ' HB2' ' HA ' ' A' ' 15' ' ' CYS . 12.4 mm100 -89.44 139.47 30.49 Favored 'General case' 0 C--N 1.308 -1.232 0 CA-C-O 121.144 0.497 . . . . 0.0 112.174 -176.598 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 4' ' ' LYS . . . . . 0.432 ' HE2' ' CH2' ' A' ' 7' ' ' TRP . 54.5 mttm -95.01 168.43 10.78 Favored 'General case' 0 C--N 1.31 -1.132 0 CA-C-N 114.684 -1.144 . . . . 0.0 108.255 179.461 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 5' ' ' TRP . . . . . . . . . . . . . 27.0 p-90 -63.66 -23.81 67.53 Favored 'General case' 0 N--CA 1.494 1.763 0 CA-C-O 121.755 0.788 . . . . 0.0 110.573 -178.889 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 6' ' ' MET . . . . . . . . . . . . . 52.0 ttp -78.09 -18.85 55.21 Favored 'General case' 0 N--CA 1.43 -1.469 0 CA-C-N 114.717 -1.129 . . . . 0.0 110.358 -178.875 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 7' ' ' TRP . . . . . 0.432 ' CH2' ' HE2' ' A' ' 4' ' ' LYS . 51.9 m0 -103.88 172.72 6.65 Favored 'General case' 0 C--N 1.302 -1.481 0 CA-C-N 115.405 -0.816 . . . . 0.0 109.771 -178.036 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 8' ' ' THR . . . . . 0.629 ' HB ' ' O ' ' A' ' 23' ' ' LEU . 73.1 p -110.98 169.93 8.44 Favored 'General case' 0 C--N 1.293 -1.859 0 N-CA-C 108.081 -1.081 . . . . 0.0 108.081 179.452 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 9' ' ' CYS . . . . . 0.427 ' SG ' ' HB2' ' A' ' 15' ' ' CYS . 26.4 p -133.6 177.01 8.03 Favored 'General case' 0 C--O 1.244 0.788 0 C-N-CA 117.281 -1.767 . . . . 0.0 112.088 178.672 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 4.9 m-20 -147.0 -164.7 2.06 Favored 'General case' 0 CA--C 1.498 -1.023 0 N-CA-C 108.385 -0.969 . . . . 0.0 108.385 -175.998 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 19.4 p -69.68 -43.16 73.07 Favored 'General case' 0 N--CA 1.433 -1.302 0 N-CA-C 109.825 -0.435 . . . . 0.0 109.825 176.645 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 42.3 mt-10 -89.82 -39.38 13.13 Favored 'General case' 0 N--CA 1.44 -0.966 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.774 -179.698 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 63.2 mtm180 -73.18 111.47 8.33 Favored 'General case' 0 C--O 1.237 0.397 0 C-N-CA 119.17 -1.012 . . . . 0.0 109.016 176.267 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 58.0 mtpt -85.02 127.0 34.01 Favored 'General case' 0 C--N 1.308 -1.238 0 CA-C-N 115.468 -0.787 . . . . 0.0 111.119 -173.406 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 15' ' ' CYS . . . . . 0.473 ' HA ' ' HB2' ' A' ' 3' ' ' GLN . 22.9 t -94.21 141.79 28.15 Favored 'General case' 0 C--N 1.3 -1.581 0 N-CA-C 107.898 -1.149 . . . . 0.0 107.898 177.684 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 80.7 m -69.6 142.81 53.46 Favored 'General case' 0 C--N 1.293 -1.873 0 CA-C-O 121.246 0.546 . . . . 0.0 111.629 -175.871 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 57.4 mttp -64.1 140.39 58.86 Favored 'General case' 0 CA--C 1.507 -0.677 0 N-CA-C 109.469 -0.567 . . . . 0.0 109.469 176.91 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 112.46 -13.03 25.64 Favored Glycine 0 C--N 1.29 -1.976 0 N-CA-C 107.813 -2.115 . . . . 0.0 107.813 -171.081 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 19' ' ' MET . . . . . 0.492 ' HG2' ' HA ' ' A' ' 27' ' ' LYS . 60.4 mtm -127.37 162.99 25.0 Favored 'General case' 0 N--CA 1.423 -1.787 0 CA-C-N 113.481 -1.359 . . . . 0.0 108.129 174.076 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 57.8 t -105.85 128.68 59.9 Favored 'Isoleucine or valine' 0 C--N 1.289 -2.065 0 N-CA-C 106.832 -1.544 . . . . 0.0 106.832 179.492 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 32.8 t -87.04 131.35 34.13 Favored 'General case' 0 N--CA 1.428 -1.532 0 N-CA-C 109.339 -0.615 . . . . 0.0 109.339 -176.992 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 22' ' ' ARG . . . . . 0.419 ' HG3' ' H ' ' A' ' 23' ' ' LEU . 12.7 tpt180 -169.21 -156.02 0.15 Allowed 'General case' 0 C--O 1.284 2.88 0 N-CA-C 105.952 -1.87 . . . . 0.0 105.952 179.792 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 23' ' ' LEU . . . . . 0.629 ' O ' ' HB ' ' A' ' 8' ' ' THR . 6.7 tt -48.44 -37.0 16.06 Favored 'General case' 0 C--O 1.212 -0.912 0 C-N-CA 124.043 0.937 . . . . 0.0 109.05 177.597 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 24' ' ' TRP . . . . . 0.453 ' HA ' ' HA ' ' A' ' 8' ' ' THR . 21.6 p90 -135.07 165.88 24.34 Favored 'General case' 0 N--CA 1.434 -1.245 0 N-CA-C 107.232 -1.396 . . . . 0.0 107.232 173.829 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 55.4 m -85.67 113.31 21.77 Favored 'General case' 0 C--N 1.315 -0.906 0 CA-C-N 118.197 0.453 . . . . 0.0 109.907 174.857 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 62.3 tttp -99.22 118.16 35.29 Favored 'General case' 0 C--N 1.305 -1.369 0 N-CA-C 108.834 -0.802 . . . . 0.0 108.834 -177.855 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 27' ' ' LYS . . . . . 0.492 ' HA ' ' HG2' ' A' ' 19' ' ' MET . 59.7 pttt -85.02 148.02 26.39 Favored 'General case' 0 C--N 1.302 -1.465 0 N-CA-C 112.973 0.731 . . . . 0.0 112.973 -176.055 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 74.0 mmtt -73.21 148.39 43.79 Favored 'General case' 0 N--CA 1.441 -0.886 0 CA-C-N 114.982 -1.008 . . . . 0.0 109.8 176.635 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 90.8 mt -103.56 1.05 31.69 Favored 'General case' 0 C--N 1.299 -1.601 0 CA-C-N 115.757 -0.656 . . . . 0.0 109.797 -179.584 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 30' ' ' TRP . . . . . . . . . . . . . 84.5 m95 . . . . . 0 CA--C 1.513 -0.454 0 C-N-CA 124.966 1.307 . . . . 0.0 111.018 178.247 . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 1' ' ' TYR . . . . . . . . . . . . . 84.6 m-85 . . . . . 0 CA--C 1.509 -0.619 0 N-CA-C 109.486 -0.561 . . . . 0.0 109.486 . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 2' ' ' CYS . . . . . . . . . . . . . 41.9 t -145.19 160.02 42.11 Favored 'General case' 0 C--N 1.292 -1.929 0 N-CA-C 105.115 -2.18 . . . . 0.0 105.115 177.538 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 3' ' ' GLN . . . . . 0.52 ' HB2' ' HA ' ' A' ' 15' ' ' CYS . 11.3 mm100 -83.96 132.11 34.78 Favored 'General case' 0 C--N 1.298 -1.656 0 C-N-CA 119.654 -0.818 . . . . 0.0 111.767 -173.937 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 49.6 mtmt -90.88 172.52 8.55 Favored 'General case' 0 C--N 1.31 -1.126 0 CA-C-N 115.086 -0.961 . . . . 0.0 109.12 178.736 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 5' ' ' TRP . . . . . . . . . . . . . 47.9 p90 -67.04 -24.27 65.97 Favored 'General case' 0 C--N 1.315 -0.921 0 C-N-CA 123.127 0.571 . . . . 0.0 112.326 -176.836 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 6' ' ' MET . . . . . . . . . . . . . 58.6 ttp -82.33 -21.52 35.98 Favored 'General case' 0 C--N 1.323 -0.55 0 CA-C-O 122.255 1.026 . . . . 0.0 108.977 178.583 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 7' ' ' TRP . . . . . . . . . . . . . 46.2 m0 -87.93 174.59 8.23 Favored 'General case' 0 C--N 1.288 -2.086 0 CA-C-N 114.268 -1.333 . . . . 0.0 109.602 -179.248 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 8' ' ' THR . . . . . 0.539 ' HA ' ' HA ' ' A' ' 24' ' ' TRP . 71.9 p -125.95 167.61 15.05 Favored 'General case' 0 C--N 1.276 -2.612 0 N-CA-C 107.146 -1.427 . . . . 0.0 107.146 -176.417 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 9' ' ' CYS . . . . . 0.654 ' HB2' ' O ' ' A' ' 13' ' ' ARG . 20.2 p -120.05 175.49 5.9 Favored 'General case' 0 N--CA 1.435 -1.195 0 C-N-CA 116.539 -2.064 . . . . 0.0 110.789 178.984 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 30.0 m-20 -136.81 -165.72 1.78 Allowed 'General case' 0 C--N 1.309 -1.153 0 N-CA-C 106.44 -1.689 . . . . 0.0 106.44 -179.116 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 1.8 p -75.03 -35.23 61.93 Favored 'General case' 0 C--N 1.286 -2.184 0 CA-C-O 121.589 0.709 . . . . 0.0 109.576 173.102 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 9.3 pt-20 -84.84 -40.74 16.78 Favored 'General case' 0 C--N 1.32 -0.699 0 CA-C-N 115.426 -0.807 . . . . 0.0 111.443 179.473 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 13' ' ' ARG . . . . . 0.654 ' O ' ' HB2' ' A' ' 9' ' ' CYS . 83.6 mtm180 -98.89 115.83 29.76 Favored 'General case' 0 C--O 1.206 -1.223 0 N-CA-C 109.181 -0.674 . . . . 0.0 109.181 -179.844 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 38.4 mtmm -105.64 152.34 23.25 Favored 'General case' 0 C--N 1.298 -1.652 0 CA-C-O 120.754 0.311 . . . . 0.0 110.558 179.213 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 15' ' ' CYS . . . . . 0.591 ' SG ' ' HA ' ' A' ' 21' ' ' CYS . 55.7 m -75.29 153.66 37.81 Favored 'General case' 0 C--N 1.312 -1.034 0 N-CA-C 109.081 -0.711 . . . . 0.0 109.081 178.736 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 41.1 m -64.16 162.36 14.57 Favored 'General case' 0 C--O 1.25 1.091 0 CA-C-O 120.903 0.383 . . . . 0.0 111.433 -178.022 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 29.8 mtpp -63.98 126.47 27.78 Favored 'General case' 0 C--N 1.324 -0.51 0 N-CA-C 109.382 -0.599 . . . . 0.0 109.382 176.768 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 112.16 -7.22 27.03 Favored Glycine 0 C--N 1.306 -1.1 0 N-CA-C 109.833 -1.307 . . . . 0.0 109.833 -174.001 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 19' ' ' MET . . . . . . . . . . . . . 66.6 mtt -126.33 158.66 35.27 Favored 'General case' 0 C--N 1.308 -1.209 0 N-CA-C 108.236 -1.024 . . . . 0.0 108.236 176.46 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 11.2 p -107.02 135.78 44.33 Favored 'Isoleucine or valine' 0 C--N 1.29 -1.999 0 N-CA-C 108.359 -0.978 . . . . 0.0 108.359 175.661 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 21' ' ' CYS . . . . . 0.591 ' HA ' ' SG ' ' A' ' 15' ' ' CYS . 49.8 t -76.46 113.86 14.54 Favored 'General case' 0 N--CA 1.431 -1.408 0 N-CA-C 107.771 -1.196 . . . . 0.0 107.771 178.829 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 22' ' ' ARG . . . . . 0.496 ' HA ' ' HE ' ' A' ' 22' ' ' ARG . 1.1 tpm_? -144.1 -169.41 3.11 Favored 'General case' 0 C--O 1.276 2.483 0 N-CA-C 107.043 -1.466 . . . . 0.0 107.043 -177.55 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 23' ' ' LEU . . . . . 0.492 ' H ' ' HG3' ' A' ' 22' ' ' ARG . 85.2 mt -55.52 -19.95 11.45 Favored 'General case' 0 C--O 1.219 -0.508 0 C-N-CA 123.866 0.867 . . . . 0.0 110.722 175.825 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 24' ' ' TRP . . . . . 0.539 ' HA ' ' HA ' ' A' ' 8' ' ' THR . 18.0 p90 -145.13 162.33 37.3 Favored 'General case' 0 N--CA 1.419 -2.004 0 N-CA-C 105.244 -2.132 . . . . 0.0 105.244 170.079 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 93.9 m -81.83 112.93 19.42 Favored 'General case' 0 C--N 1.303 -1.419 0 CA-C-N 119.058 0.845 . . . . 0.0 110.659 177.923 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 86.7 tttt -107.22 133.83 51.22 Favored 'General case' 0 C--N 1.294 -1.836 0 CA-C-N 115.059 -0.973 . . . . 0.0 109.342 -174.759 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 61.0 pttt -74.64 148.31 40.79 Favored 'General case' 0 C--N 1.301 -1.509 0 CA-C-O 120.928 0.394 . . . . 0.0 110.649 179.954 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 3.7 tppp? -90.45 125.79 35.69 Favored 'General case' 0 C--N 1.296 -1.756 0 N-CA-C 107.432 -1.321 . . . . 0.0 107.432 177.786 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 3.1 mm? -85.06 -32.59 22.78 Favored 'General case' 0 C--N 1.311 -1.067 0 CA-C-O 121.029 0.442 . . . . 0.0 110.413 -176.945 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 30' ' ' TRP . . . . . . . . . . . . . 91.7 m95 . . . . . 0 C--N 1.307 -1.251 0 CA-C-N 115.663 -0.699 . . . . 0.0 109.12 179.945 . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 1' ' ' TYR . . . . . . . . . . . . . 97.9 m-85 . . . . . 0 CA--C 1.514 -0.435 0 CA-C-O 120.891 0.377 . . . . 0.0 110.695 . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 2' ' ' CYS . . . . . . . . . . . . . 52.7 t -134.62 161.34 35.37 Favored 'General case' 0 C--N 1.308 -1.239 0 N-CA-C 109.439 -0.578 . . . . 0.0 109.439 -174.67 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 3' ' ' GLN . . . . . 0.448 ' HB2' ' HA ' ' A' ' 15' ' ' CYS . 15.1 mm100 -109.0 133.66 52.69 Favored 'General case' 0 C--N 1.311 -1.091 0 N-CA-C 108.316 -0.994 . . . . 0.0 108.316 177.548 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 98.5 mttt -91.11 163.16 14.38 Favored 'General case' 0 C--N 1.299 -1.598 0 CA-C-O 121.001 0.429 . . . . 0.0 110.102 178.094 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 5' ' ' TRP . . . . . . . . . . . . . 42.7 p90 -62.59 -26.03 68.39 Favored 'General case' 0 C--N 1.306 -1.297 0 C-N-CA 124.628 1.171 . . . . 0.0 110.648 178.264 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 6' ' ' MET . . . . . 0.544 ' HG3' ' CD1' ' A' ' 7' ' ' TRP . 26.2 ptm -78.27 -10.15 59.54 Favored 'General case' 0 C--N 1.321 -0.662 0 CA-C-N 115.272 -0.876 . . . . 0.0 110.459 179.812 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 7' ' ' TRP . . . . . 0.544 ' CD1' ' HG3' ' A' ' 6' ' ' MET . 40.7 m0 -108.6 -172.18 2.0 Favored 'General case' 0 N--CA 1.437 -1.1 0 N-CA-C 108.425 -0.954 . . . . 0.0 108.425 179.869 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 8' ' ' THR . . . . . 0.65 ' HB ' ' O ' ' A' ' 23' ' ' LEU . 70.7 p -124.68 172.79 9.0 Favored 'General case' 0 C--N 1.291 -1.943 0 N-CA-C 108.882 -0.784 . . . . 0.0 108.882 -176.748 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 9' ' ' CYS . . . . . 0.673 ' SG ' ' HB2' ' A' ' 15' ' ' CYS . 29.9 p -140.64 179.31 6.76 Favored 'General case' 0 C--O 1.251 1.134 0 C-N-CA 118.381 -1.328 . . . . 0.0 111.441 175.697 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 10' ' ' ASP . . . . . 0.456 ' CG ' ' H ' ' A' ' 11' ' ' SER . 29.8 t70 -159.46 -159.96 0.79 Allowed 'General case' 0 C--N 1.313 -0.998 0 N-CA-C 106.899 -1.519 . . . . 0.0 106.899 -176.631 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 11' ' ' SER . . . . . 0.456 ' H ' ' CG ' ' A' ' 10' ' ' ASP . 14.7 m -80.03 -30.06 39.42 Favored 'General case' 0 N--CA 1.425 -1.699 0 N-CA-C 109.047 -0.723 . . . . 0.0 109.047 177.459 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 11.8 pt-20 -79.17 -46.29 18.22 Favored 'General case' 0 CA--C 1.536 0.409 0 CA-C-N 115.978 -0.556 . . . . 0.0 110.766 178.694 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 13' ' ' ARG . . . . . 0.554 ' O ' ' HB2' ' A' ' 9' ' ' CYS . 5.5 mmp_? -99.1 111.82 24.11 Favored 'General case' 0 CA--C 1.486 -1.519 0 N-CA-C 109.357 -0.608 . . . . 0.0 109.357 174.056 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 34.2 mmtp -89.5 137.13 32.59 Favored 'General case' 0 C--N 1.278 -2.518 0 CA-C-O 121.198 0.523 . . . . 0.0 109.961 178.665 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 15' ' ' CYS . . . . . 0.673 ' HB2' ' SG ' ' A' ' 9' ' ' CYS . 8.9 t -83.46 154.6 23.84 Favored 'General case' 0 C--N 1.288 -2.102 0 CA-C-N 115.201 -0.909 . . . . 0.0 108.595 -179.368 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 55.8 m -84.02 157.98 21.64 Favored 'General case' 0 C--N 1.289 -2.047 0 CA-C-O 121.123 0.487 . . . . 0.0 111.487 -175.227 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 53.9 mtmt -63.77 142.43 58.41 Favored 'General case' 0 N--CA 1.438 -1.029 0 CA-C-N 115.27 -0.877 . . . . 0.0 109.903 179.652 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 112.16 -21.92 19.14 Favored Glycine 0 C--N 1.3 -1.454 0 N-CA-C 108.246 -1.941 . . . . 0.0 108.246 -173.419 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 19' ' ' MET . . . . . 0.46 ' HG3' ' HA ' ' A' ' 27' ' ' LYS . 4.4 mpp? -123.67 168.17 13.02 Favored 'General case' 0 N--CA 1.425 -1.676 0 N-CA-C 108.644 -0.873 . . . . 0.0 108.644 175.213 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 45.1 t -106.25 131.79 55.03 Favored 'Isoleucine or valine' 0 C--N 1.287 -2.13 0 N-CA-C 105.87 -1.9 . . . . 0.0 105.87 176.341 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 10.0 t -79.47 135.15 36.58 Favored 'General case' 0 N--CA 1.426 -1.641 0 N-CA-C 108.174 -1.047 . . . . 0.0 108.174 179.922 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 22' ' ' ARG . . . . . 0.498 ' HG3' ' H ' ' A' ' 23' ' ' LEU . 25.2 tpt180 -166.81 -172.17 2.03 Favored 'General case' 0 N--CA 1.417 -2.081 0 N-CA-C 105.5 -2.037 . . . . 0.0 105.5 -174.995 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 23' ' ' LEU . . . . . 0.65 ' O ' ' HB ' ' A' ' 8' ' ' THR . 65.7 tp -48.55 -30.31 5.15 Favored 'General case' 0 C--O 1.215 -0.758 0 C-N-CA 123.521 0.728 . . . . 0.0 110.399 174.837 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 24' ' ' TRP . . . . . 0.532 ' HA ' ' HA ' ' A' ' 8' ' ' THR . 29.2 p90 -135.9 161.41 35.7 Favored 'General case' 0 N--CA 1.434 -1.267 0 N-CA-C 106.684 -1.599 . . . . 0.0 106.684 173.389 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 53.6 m -80.5 112.77 18.16 Favored 'General case' 0 C--N 1.312 -1.033 0 C-N-CA 119.647 -0.821 . . . . 0.0 110.411 176.65 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 40.5 ttmt -95.68 122.95 38.98 Favored 'General case' 0 C--N 1.302 -1.487 0 CA-C-N 115.508 -0.769 . . . . 0.0 109.591 -177.892 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 27' ' ' LYS . . . . . 0.46 ' HA ' ' HG3' ' A' ' 19' ' ' MET . 27.9 mtpp -67.65 134.08 50.51 Favored 'General case' 0 CA--C 1.501 -0.938 0 N-CA-C 109.659 -0.497 . . . . 0.0 109.659 177.521 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 58.3 tttm -109.26 89.2 2.93 Favored 'General case' 0 C--N 1.293 -1.884 0 N-CA-C 109.126 -0.694 . . . . 0.0 109.126 -178.585 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 43.5 tp -97.01 -19.04 19.03 Favored 'General case' 0 C--N 1.295 -1.776 0 N-CA-C 108.288 -1.005 . . . . 0.0 108.288 178.594 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 30' ' ' TRP . . . . . . . . . . . . . 41.3 t-105 . . . . . 0 N--CA 1.432 -1.367 0 N-CA-C 107.638 -1.245 . . . . 0.0 107.638 178.659 . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 1' ' ' TYR . . . . . . . . . . . . . 87.7 m-85 . . . . . 0 CA--C 1.506 -0.747 0 N-CA-C 108.785 -0.82 . . . . 0.0 108.785 . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 2' ' ' CYS . . . . . . . . . . . . . 26.2 p -82.27 155.52 24.81 Favored 'General case' 0 N--CA 1.426 -1.633 0 N-CA-C 108.591 -0.892 . . . . 0.0 108.591 175.865 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 3' ' ' GLN . . . . . 0.445 ' HB2' ' HA ' ' A' ' 15' ' ' CYS . 14.9 mm100 -82.89 131.68 35.18 Favored 'General case' 0 C--N 1.294 -1.846 0 CA-C-O 120.922 0.392 . . . . 0.0 110.326 -177.268 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 94.9 mttt -87.67 167.1 14.17 Favored 'General case' 0 C--N 1.298 -1.663 0 CA-C-N 114.902 -1.045 . . . . 0.0 109.609 -177.788 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 5' ' ' TRP . . . . . . . . . . . . . 4.3 p-90 -57.11 -31.44 65.29 Favored 'General case' 0 C--N 1.318 -0.78 0 C-N-CA 123.925 0.89 . . . . 0.0 113.29 -175.363 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 6' ' ' MET . . . . . . . . . . . . . 61.9 ttp -76.55 -25.83 54.47 Favored 'General case' 0 C--N 1.329 -0.316 0 C-N-CA 119.872 -0.731 . . . . 0.0 110.311 -179.897 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 7' ' ' TRP . . . . . . . . . . . . . 49.6 m0 -87.83 -177.84 5.9 Favored 'General case' 0 C--N 1.291 -1.955 0 CA-C-N 115.396 -0.82 . . . . 0.0 109.685 -177.326 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 8' ' ' THR . . . . . 0.587 ' HB ' ' O ' ' A' ' 23' ' ' LEU . 75.4 p -118.06 160.03 22.21 Favored 'General case' 0 C--N 1.29 -1.981 0 N-CA-C 108.378 -0.971 . . . . 0.0 108.378 -179.876 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 9' ' ' CYS . . . . . 0.474 ' HB2' ' O ' ' A' ' 13' ' ' ARG . 26.6 p -123.46 172.08 8.99 Favored 'General case' 0 N--CA 1.437 -1.091 0 C-N-CA 117.857 -1.537 . . . . 0.0 110.122 175.504 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 15.3 t70 -154.17 -163.93 1.73 Allowed 'General case' 0 C--N 1.305 -1.355 0 N-CA-C 106.657 -1.609 . . . . 0.0 106.657 -174.967 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 33.1 t -74.96 -32.92 61.84 Favored 'General case' 0 C--N 1.297 -1.687 0 N-CA-C 109.073 -0.714 . . . . 0.0 109.073 179.913 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 41.4 mt-10 -88.24 -32.1 18.7 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-O 121.445 0.64 . . . . 0.0 110.299 179.568 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 13' ' ' ARG . . . . . 0.474 ' O ' ' HB2' ' A' ' 9' ' ' CYS . 59.6 mtm180 -98.88 111.45 23.84 Favored 'General case' 0 C--N 1.308 -1.202 0 CA-C-N 115.752 -0.658 . . . . 0.0 109.891 -177.644 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 55.4 pttt -92.36 131.28 37.67 Favored 'General case' 0 C--N 1.304 -1.397 0 CA-C-O 120.857 0.36 . . . . 0.0 110.677 -177.376 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 15' ' ' CYS . . . . . 0.445 ' HA ' ' HB2' ' A' ' 3' ' ' GLN . 9.1 t -81.97 153.02 26.46 Favored 'General case' 0 C--N 1.304 -1.406 0 CA-C-N 116.063 -0.517 . . . . 0.0 109.826 -176.38 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 16' ' ' CYS . . . . . 0.466 ' HB2' ' SD ' ' A' ' 19' ' ' MET . 82.8 m -62.93 145.31 55.55 Favored 'General case' 0 C--N 1.315 -0.901 0 CA-C-O 121.663 0.744 . . . . 0.0 112.134 -177.862 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 66.5 mttm -71.89 130.28 40.64 Favored 'General case' 0 C--N 1.304 -1.4 0 CA-C-N 115.239 -0.891 . . . . 0.0 109.015 177.557 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 107.14 -3.71 35.39 Favored Glycine 0 N--CA 1.439 -1.134 0 N-CA-C 109.409 -1.476 . . . . 0.0 109.409 -172.644 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 19' ' ' MET . . . . . 0.466 ' SD ' ' HB2' ' A' ' 16' ' ' CYS . 65.3 mtt -121.59 170.58 9.55 Favored 'General case' 0 C--N 1.312 -1.058 0 N-CA-C 108.606 -0.887 . . . . 0.0 108.606 177.842 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 98.6 t -107.13 126.82 63.21 Favored 'Isoleucine or valine' 0 C--N 1.3 -1.552 0 N-CA-C 108.302 -0.999 . . . . 0.0 108.302 177.836 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 18.4 t -90.97 130.26 36.91 Favored 'General case' 0 N--CA 1.434 -1.264 0 N-CA-C 109.0 -0.741 . . . . 0.0 109.0 -179.541 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 22' ' ' ARG . . . . . 0.564 ' HG2' ' H ' ' A' ' 23' ' ' LEU . 30.2 ttm180 -166.37 -170.74 1.74 Allowed 'General case' 0 C--O 1.28 2.694 0 N-CA-C 106.557 -1.646 . . . . 0.0 106.557 -177.209 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 23' ' ' LEU . . . . . 0.587 ' O ' ' HB ' ' A' ' 8' ' ' THR . 62.5 tp -42.09 -43.14 3.15 Favored 'General case' 0 C--N 1.358 0.966 0 C-N-CA 123.869 0.868 . . . . 0.0 109.937 175.602 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 24' ' ' TRP . . . . . 0.54 ' HA ' ' HA ' ' A' ' 8' ' ' THR . 26.3 p90 -131.68 151.44 51.63 Favored 'General case' 0 N--CA 1.428 -1.56 0 N-CA-C 107.153 -1.425 . . . . 0.0 107.153 170.982 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 57.9 m -76.2 157.89 32.21 Favored 'General case' 0 C--N 1.318 -0.77 0 CA-C-O 121.153 0.501 . . . . 0.0 111.832 -179.177 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 63.8 tttm -150.58 156.89 42.26 Favored 'General case' 0 C--O 1.198 -1.643 0 N-CA-C 106.557 -1.646 . . . . 0.0 106.557 -177.494 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 23.9 tptm -80.02 148.01 31.29 Favored 'General case' 0 N--CA 1.413 -2.292 0 CA-C-N 119.34 0.973 . . . . 0.0 109.428 178.112 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 24.6 ttmm -93.51 112.97 24.99 Favored 'General case' 0 C--N 1.293 -1.862 0 N-CA-C 108.749 -0.834 . . . . 0.0 108.749 177.76 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 2.7 mm? -95.52 -31.77 13.17 Favored 'General case' 0 C--N 1.305 -1.36 0 N-CA-C 109.215 -0.661 . . . . 0.0 109.215 179.226 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 30' ' ' TRP . . . . . . . . . . . . . 93.4 m95 . . . . . 0 N--CA 1.428 -1.545 0 N-CA-C 107.669 -1.234 . . . . 0.0 107.669 -179.937 . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 1' ' ' TYR . . . . . . . . . . . . . 79.7 t80 . . . . . 0 C--O 1.236 0.343 0 N-CA-C 109.793 -0.447 . . . . 0.0 109.793 . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 2' ' ' CYS . . . . . . . . . . . . . 37.3 t -95.94 157.97 15.66 Favored 'General case' 0 C--N 1.308 -1.206 0 N-CA-C 109.671 -0.492 . . . . 0.0 109.671 -179.023 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 15.3 mm100 -95.4 151.48 19.24 Favored 'General case' 0 C--N 1.301 -1.531 0 CA-C-N 115.915 -0.584 . . . . 0.0 109.645 -179.932 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 47.5 mmtm -94.54 157.43 15.99 Favored 'General case' 0 C--N 1.295 -1.804 0 N-CA-C 107.726 -1.213 . . . . 0.0 107.726 173.883 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 5' ' ' TRP . . . . . . . . . . . . . 12.9 p-90 -61.34 -21.82 64.35 Favored 'General case' 0 C--N 1.307 -1.255 0 CA-C-O 121.413 0.625 . . . . 0.0 110.925 -179.621 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 6' ' ' MET . . . . . . . . . . . . . 26.6 ptt? -84.92 -6.95 59.34 Favored 'General case' 0 N--CA 1.437 -1.099 0 CA-C-N 115.557 -0.747 . . . . 0.0 111.235 -178.755 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 7' ' ' TRP . . . . . . . . . . . . . 54.6 m0 -100.3 -176.15 3.14 Favored 'General case' 0 C--O 1.244 0.796 0 CA-C-O 120.854 0.359 . . . . 0.0 110.142 -178.984 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 8' ' ' THR . . . . . 0.561 ' HB ' ' O ' ' A' ' 23' ' ' LEU . 71.8 p -129.97 178.65 6.38 Favored 'General case' 0 C--N 1.303 -1.434 0 N-CA-C 108.294 -1.002 . . . . 0.0 108.294 -176.576 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 9' ' ' CYS . . . . . 0.609 ' HB2' ' O ' ' A' ' 13' ' ' ARG . 23.3 p -134.9 170.72 15.44 Favored 'General case' 0 N--CA 1.445 -0.695 0 C-N-CA 117.947 -1.501 . . . . 0.0 110.909 173.996 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 14.7 t70 -158.78 -137.74 0.05 Allowed 'General case' 0 C--N 1.315 -0.908 0 N-CA-C 106.818 -1.549 . . . . 0.0 106.818 179.899 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 13.0 p -80.14 -45.07 18.8 Favored 'General case' 0 C--N 1.313 -0.991 0 CA-C-N 118.734 0.697 . . . . 0.0 112.454 -178.9 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 26.9 mm-40 -77.2 -51.16 11.43 Favored 'General case' 0 C--N 1.323 -0.56 0 CA-C-O 121.337 0.589 . . . . 0.0 110.302 179.963 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 13' ' ' ARG . . . . . 0.609 ' O ' ' HB2' ' A' ' 9' ' ' CYS . 2.1 mmp_? -90.7 118.52 30.2 Favored 'General case' 0 C--N 1.298 -1.666 0 CA-C-N 115.79 -0.641 . . . . 0.0 110.788 -179.49 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 99.0 mttt -106.4 141.34 37.87 Favored 'General case' 0 C--N 1.297 -1.715 0 N-CA-C 108.996 -0.742 . . . . 0.0 108.996 173.808 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 15' ' ' CYS . . . . . 0.519 ' SG ' ' HB3' ' A' ' 9' ' ' CYS . 81.7 m -73.78 147.49 43.38 Favored 'General case' 0 C--N 1.32 -0.703 0 N-CA-C 108.841 -0.8 . . . . 0.0 108.841 176.572 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 56.5 m -74.54 157.77 34.92 Favored 'General case' 0 C--N 1.299 -1.604 0 CA-C-N 116.635 -0.257 . . . . 0.0 110.915 -178.053 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 40.1 ttmt -59.65 136.89 58.13 Favored 'General case' 0 C--N 1.323 -0.558 0 N-CA-C 108.93 -0.767 . . . . 0.0 108.93 178.094 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 107.2 -15.83 39.12 Favored Glycine 0 C--N 1.304 -1.234 0 N-CA-C 108.791 -1.723 . . . . 0.0 108.791 -173.015 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 19' ' ' MET . . . . . 0.436 ' HG2' ' HA ' ' A' ' 27' ' ' LYS . 73.0 mtm -125.2 165.78 17.66 Favored 'General case' 0 N--CA 1.429 -1.487 0 N-CA-C 107.587 -1.264 . . . . 0.0 107.587 174.093 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 11.2 t -106.17 135.73 43.36 Favored 'Isoleucine or valine' 0 C--N 1.288 -2.077 0 N-CA-C 106.679 -1.6 . . . . 0.0 106.679 178.951 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 38.6 t -87.49 104.43 16.46 Favored 'General case' 0 N--CA 1.423 -1.793 0 N-CA-C 107.835 -1.172 . . . . 0.0 107.835 178.819 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 22' ' ' ARG . . . . . 0.428 ' HB3' ' H ' ' A' ' 23' ' ' LEU . 96.3 mtt180 -135.71 -163.3 1.37 Allowed 'General case' 0 C--O 1.272 2.284 0 CA-C-N 114.896 -1.047 . . . . 0.0 109.194 -179.204 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 23' ' ' LEU . . . . . 0.561 ' O ' ' HB ' ' A' ' 8' ' ' THR . 54.7 tp -53.33 -27.15 21.8 Favored 'General case' 0 C--O 1.21 -1.01 0 CA-C-N 114.724 -1.126 . . . . 0.0 109.561 174.688 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 24' ' ' TRP . . . . . 0.482 ' HA ' HG22 ' A' ' 8' ' ' THR . 17.2 p90 -139.07 165.16 27.87 Favored 'General case' 0 N--CA 1.428 -1.567 0 N-CA-C 106.692 -1.596 . . . . 0.0 106.692 173.953 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 85.6 m -82.99 112.31 19.64 Favored 'General case' 0 C--N 1.318 -0.77 0 C-N-CA 119.527 -0.869 . . . . 0.0 108.882 175.601 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 59.9 tttm -96.4 119.99 35.89 Favored 'General case' 0 C--N 1.301 -1.511 0 N-CA-C 109.237 -0.653 . . . . 0.0 109.237 -177.962 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 27' ' ' LYS . . . . . 0.436 ' HA ' ' HG2' ' A' ' 19' ' ' MET . 22.7 pttp -80.72 133.06 35.62 Favored 'General case' 0 C--N 1.302 -1.482 0 CA-C-O 121.407 0.623 . . . . 0.0 110.714 179.751 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 96.1 mttt -95.39 157.74 15.76 Favored 'General case' 0 C--N 1.297 -1.686 0 CA-C-N 114.99 -1.005 . . . . 0.0 109.332 -178.884 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 3.8 pp -105.31 -24.73 12.64 Favored 'General case' 0 C--N 1.298 -1.658 0 N-CA-C 109.052 -0.722 . . . . 0.0 109.052 171.32 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 30' ' ' TRP . . . . . . . . . . . . . 75.8 t-105 . . . . . 0 CA--C 1.505 -0.774 0 N-CA-C 106.831 -1.544 . . . . 0.0 106.831 175.61 . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 1' ' ' TYR . . . . . . . . . . . . . 67.9 t80 . . . . . 0 C--O 1.238 0.454 0 N-CA-C 110.414 -0.217 . . . . 0.0 110.414 . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 2' ' ' CYS . . . . . . . . . . . . . 24.9 t -166.0 155.26 11.74 Favored 'General case' 0 N--CA 1.441 -0.899 0 N-CA-C 108.319 -0.993 . . . . 0.0 108.319 -178.816 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 15.0 mm100 -111.29 140.45 45.86 Favored 'General case' 0 C--N 1.301 -1.54 0 N-CA-C 108.082 -1.081 . . . . 0.0 108.082 178.615 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 67.2 mttm -94.72 164.39 12.97 Favored 'General case' 0 C--N 1.301 -1.514 0 N-CA-C 109.629 -0.508 . . . . 0.0 109.629 178.538 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 5' ' ' TRP . . . . . . . . . . . . . 32.7 p90 -69.26 -14.67 63.08 Favored 'General case' 0 N--CA 1.488 1.469 0 CA-C-O 122.499 1.143 . . . . 0.0 110.639 -179.826 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 6' ' ' MET . . . . . . . . . . . . . 22.1 ptp -92.82 1.34 57.34 Favored 'General case' 0 C--N 1.301 -1.542 0 CA-C-N 114.401 -1.272 . . . . 0.0 109.305 179.945 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 7' ' ' TRP . . . . . . . . . . . . . 52.4 m0 -116.57 -174.29 2.54 Favored 'General case' 0 C--O 1.246 0.875 0 N-CA-C 108.118 -1.068 . . . . 0.0 108.118 178.692 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 8' ' ' THR . . . . . 0.536 ' HA ' ' HA ' ' A' ' 24' ' ' TRP . 46.2 p -131.13 172.62 11.9 Favored 'General case' 0 C--N 1.298 -1.659 0 CA-C-O 118.963 -0.541 . . . . 0.0 109.562 -175.165 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 9' ' ' CYS . . . . . 0.592 ' HB2' ' O ' ' A' ' 13' ' ' ARG . 19.0 p -127.69 -179.77 5.11 Favored 'General case' 0 C--O 1.239 0.523 0 C-N-CA 116.495 -2.082 . . . . 0.0 111.725 177.331 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 6.5 m-20 -142.78 -161.64 1.28 Allowed 'General case' 0 C--N 1.315 -0.927 0 N-CA-C 106.532 -1.655 . . . . 0.0 106.532 -177.497 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 16.0 m -82.93 -32.45 27.18 Favored 'General case' 0 C--N 1.305 -1.36 0 N-CA-C 108.676 -0.861 . . . . 0.0 108.676 173.537 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 10.3 pt-20 -79.02 -44.15 22.83 Favored 'General case' 0 CA--C 1.535 0.368 0 CA-C-N 115.769 -0.651 . . . . 0.0 111.205 178.852 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 13' ' ' ARG . . . . . 0.592 ' O ' ' HB2' ' A' ' 9' ' ' CYS . 37.3 mtm180 -99.6 116.86 32.71 Favored 'General case' 0 CA--C 1.496 -1.134 0 N-CA-C 109.119 -0.697 . . . . 0.0 109.119 177.702 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 14.9 ptmm? -104.92 151.46 23.85 Favored 'General case' 0 C--N 1.293 -1.887 0 N-CA-C 108.825 -0.806 . . . . 0.0 108.825 177.289 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 15' ' ' CYS . . . . . 0.62 ' SG ' ' HA ' ' A' ' 21' ' ' CYS . 59.3 m -68.82 153.62 43.47 Favored 'General case' 0 C--N 1.307 -1.259 0 N-CA-C 108.251 -1.018 . . . . 0.0 108.251 175.241 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 81.0 m -75.86 161.61 28.84 Favored 'General case' 0 C--N 1.299 -1.602 0 N-CA-C 111.673 0.249 . . . . 0.0 111.673 -176.217 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 25.0 ttmm -58.83 121.49 11.26 Favored 'General case' 0 C--O 1.239 0.546 0 N-CA-C 109.738 -0.467 . . . . 0.0 109.738 -178.876 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 111.43 8.07 23.58 Favored Glycine 0 N--CA 1.439 -1.157 0 N-CA-C 110.03 -1.228 . . . . 0.0 110.03 -174.134 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 19' ' ' MET . . . . . 0.407 ' HG2' ' HA ' ' A' ' 27' ' ' LYS . 64.0 mtt -139.77 158.14 44.59 Favored 'General case' 0 C--N 1.315 -0.913 0 N-CA-C 107.79 -1.189 . . . . 0.0 107.79 176.856 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 8.2 p -106.5 134.65 47.49 Favored 'Isoleucine or valine' 0 C--N 1.291 -1.948 0 N-CA-C 108.202 -1.036 . . . . 0.0 108.202 175.339 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 21' ' ' CYS . . . . . 0.62 ' HA ' ' SG ' ' A' ' 15' ' ' CYS . 43.8 t -88.14 107.35 18.72 Favored 'General case' 0 C--N 1.309 -1.163 0 CA-C-N 116.005 -0.543 . . . . 0.0 110.404 -175.081 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 99.1 mtt180 -143.81 -157.37 0.77 Allowed 'General case' 0 C--O 1.288 3.083 0 CA-C-N 115.122 -0.945 . . . . 0.0 110.258 179.309 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 23' ' ' LEU . . . . . 0.492 ' O ' ' HB ' ' A' ' 8' ' ' THR . 61.2 tp -45.76 -42.12 11.6 Favored 'General case' 0 CA--C 1.508 -0.653 0 CA-C-N 114.873 -1.058 . . . . 0.0 109.279 176.02 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 24' ' ' TRP . . . . . 0.536 ' HA ' ' HA ' ' A' ' 8' ' ' THR . 35.6 p90 -132.35 166.12 22.68 Favored 'General case' 0 N--CA 1.421 -1.885 0 N-CA-C 108.225 -1.028 . . . . 0.0 108.225 172.13 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 78.3 m -83.76 113.28 20.79 Favored 'General case' 0 C--N 1.307 -1.274 0 CA-C-O 121.274 0.559 . . . . 0.0 109.977 177.358 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 83.6 tttt -105.38 120.5 41.73 Favored 'General case' 0 N--CA 1.416 -2.134 0 N-CA-C 108.477 -0.935 . . . . 0.0 108.477 -177.801 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 27' ' ' LYS . . . . . 0.407 ' HA ' ' HG2' ' A' ' 19' ' ' MET . 23.5 pttm -75.17 172.67 11.97 Favored 'General case' 0 C--N 1.295 -1.787 0 N-CA-C 113.32 0.859 . . . . 0.0 113.32 -173.816 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 18.6 ttmm -71.1 99.85 1.92 Allowed 'General case' 0 N--CA 1.424 -1.774 0 CA-C-N 114.823 -1.08 . . . . 0.0 112.026 178.629 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 3.1 mm? -103.53 6.19 37.24 Favored 'General case' 0 C--N 1.307 -1.25 0 N-CA-C 107.366 -1.346 . . . . 0.0 107.366 168.488 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 30' ' ' TRP . . . . . . . . . . . . . 8.2 m-90 . . . . . 0 C--O 1.255 1.367 0 N-CA-C 107.088 -1.449 . . . . 0.0 107.088 -179.199 . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 1' ' ' TYR . . . . . . . . . . . . . 92.1 m-85 . . . . . 0 CA--C 1.488 -1.427 0 N-CA-C 108.274 -1.01 . . . . 0.0 108.274 . . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 2' ' ' CYS . . . . . . . . . . . . . 26.2 p -95.36 154.66 17.09 Favored 'General case' 0 N--CA 1.421 -1.888 0 N-CA-C 108.275 -1.009 . . . . 0.0 108.275 174.616 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 3' ' ' GLN . . . . . 0.467 ' HB2' ' HA ' ' A' ' 15' ' ' CYS . 14.4 mm100 -83.06 128.3 34.36 Favored 'General case' 0 C--N 1.292 -1.905 0 CA-C-O 121.029 0.443 . . . . 0.0 109.812 -178.945 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 92.0 mttt -83.25 168.75 16.43 Favored 'General case' 0 C--N 1.295 -1.775 0 N-CA-C 109.045 -0.724 . . . . 0.0 109.045 -178.571 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 5' ' ' TRP . . . . . 0.412 ' CE3' ' HD2' ' A' ' 27' ' ' LYS . 28.2 p-90 -60.99 -23.45 65.39 Favored 'General case' 0 N--CA 1.484 1.243 0 C-N-CA 122.883 0.473 . . . . 0.0 111.845 -175.755 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 6' ' ' MET . . . . . . . . . . . . . 15.8 tpt -70.79 -28.51 64.71 Favored 'General case' 0 N--CA 1.432 -1.353 0 CA-C-O 122.115 0.96 . . . . 0.0 110.127 -179.392 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 7' ' ' TRP . . . . . . . . . . . . . 31.7 m0 -99.66 -168.2 1.57 Allowed 'General case' 0 C--N 1.305 -1.345 0 CA-C-N 114.91 -1.041 . . . . 0.0 111.182 -175.48 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 8' ' ' THR . . . . . 0.483 ' HA ' ' HA ' ' A' ' 24' ' ' TRP . 70.4 p -124.8 166.21 16.62 Favored 'General case' 0 C--N 1.307 -1.25 0 N-CA-C 107.279 -1.378 . . . . 0.0 107.279 -179.256 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 9' ' ' CYS . . . . . 0.564 ' SG ' ' HB2' ' A' ' 15' ' ' CYS . 26.0 p -135.56 177.11 8.08 Favored 'General case' 0 CA--C 1.502 -0.88 0 C-N-CA 117.483 -1.687 . . . . 0.0 111.491 179.541 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 24.7 m-20 -142.72 -170.72 3.28 Favored 'General case' 0 C--N 1.315 -0.892 0 N-CA-C 108.212 -1.033 . . . . 0.0 108.212 -176.237 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 36.0 p -77.4 -24.76 50.44 Favored 'General case' 0 C--N 1.312 -1.04 0 CA-C-O 122.241 1.02 . . . . 0.0 108.746 174.253 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 8.3 mm-40 -89.75 -47.09 8.14 Favored 'General case' 0 N--CA 1.437 -1.111 0 CA-C-N 114.544 -1.207 . . . . 0.0 109.199 -177.755 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 23.9 mtp180 -90.0 111.61 22.76 Favored 'General case' 0 N--CA 1.427 -1.617 0 CA-C-N 115.826 -0.625 . . . . 0.0 109.495 178.313 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 19.1 ptpt -80.14 140.23 36.48 Favored 'General case' 0 C--N 1.314 -0.96 0 CA-C-O 121.076 0.465 . . . . 0.0 110.858 -178.235 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 15' ' ' CYS . . . . . 0.564 ' HB2' ' SG ' ' A' ' 9' ' ' CYS . 26.0 t -87.58 160.2 18.28 Favored 'General case' 0 C--N 1.288 -2.081 0 N-CA-C 108.341 -0.985 . . . . 0.0 108.341 177.501 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 78.4 m -69.61 138.56 53.21 Favored 'General case' 0 C--N 1.306 -1.324 0 CA-C-O 121.449 0.642 . . . . 0.0 109.812 177.807 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 56.7 mtpt -77.97 134.24 37.88 Favored 'General case' 0 N--CA 1.42 -1.971 0 CA-C-N 115.653 -0.703 . . . . 0.0 109.508 -177.841 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 113.75 -15.14 21.85 Favored Glycine 0 N--CA 1.43 -1.724 0 N-CA-C 108.117 -1.993 . . . . 0.0 108.117 -167.608 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 19' ' ' MET . . . . . . . . . . . . . 2.2 mpt? -110.76 171.7 7.31 Favored 'General case' 0 N--CA 1.444 -0.735 0 N-CA-C 107.682 -1.229 . . . . 0.0 107.682 170.512 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 20' ' ' VAL . . . . . 0.496 ' HB ' ' HB3' ' A' ' 26' ' ' LYS . 22.8 t -106.1 123.58 60.84 Favored 'Isoleucine or valine' 0 C--N 1.302 -1.496 0 N-CA-C 107.183 -1.414 . . . . 0.0 107.183 176.877 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 29.4 t -84.02 120.68 26.42 Favored 'General case' 0 C--N 1.31 -1.146 0 N-CA-C 109.807 -0.442 . . . . 0.0 109.807 -179.234 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 22' ' ' ARG . . . . . 0.584 ' HA ' ' NE ' ' A' ' 22' ' ' ARG . 3.0 mmp_? -151.77 -158.06 0.87 Allowed 'General case' 0 C--O 1.271 2.229 0 C-N-CA 124.87 1.268 . . . . 0.0 108.711 178.396 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 23' ' ' LEU . . . . . 0.484 ' H ' ' HB3' ' A' ' 22' ' ' ARG . 57.2 tp -57.24 -19.41 21.24 Favored 'General case' 0 CA--C 1.544 0.716 0 CA-C-N 114.686 -1.143 . . . . 0.0 109.566 176.607 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 24' ' ' TRP . . . . . 0.483 ' HA ' ' HA ' ' A' ' 8' ' ' THR . 8.3 p90 -143.15 161.21 38.83 Favored 'General case' 0 N--CA 1.421 -1.92 0 N-CA-C 105.852 -1.907 . . . . 0.0 105.852 171.94 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 33.2 m -86.94 117.93 25.99 Favored 'General case' 0 C--N 1.301 -1.514 0 C-N-CA 120.076 -0.65 . . . . 0.0 109.344 174.596 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 26' ' ' LYS . . . . . 0.496 ' HB3' ' HB ' ' A' ' 20' ' ' VAL . 84.1 tttt -91.75 121.88 33.78 Favored 'General case' 0 C--N 1.296 -1.76 0 CA-C-N 115.914 -0.584 . . . . 0.0 109.518 -176.994 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 27' ' ' LYS . . . . . 0.412 ' HD2' ' CE3' ' A' ' 5' ' ' TRP . 15.0 ptmm? -67.67 148.37 51.43 Favored 'General case' 0 C--N 1.315 -0.927 0 N-CA-C 108.752 -0.833 . . . . 0.0 108.752 175.094 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 63.3 tttm 68.72 96.95 0.06 Allowed 'General case' 0 C--N 1.317 -0.832 0 O-C-N 124.451 1.094 . . . . 0.0 110.39 -179.308 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 57.5 tp -50.3 -41.74 51.39 Favored 'General case' 0 C--O 1.245 0.823 0 C-N-CA 125.229 1.412 . . . . 0.0 112.589 -176.334 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 30' ' ' TRP . . . . . . . . . . . . . 51.5 t-105 . . . . . 0 C--N 1.306 -1.298 0 N-CA-C 107.863 -1.162 . . . . 0.0 107.863 178.116 . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 1' ' ' TYR . . . . . . . . . . . . . 93.8 m-85 . . . . . 0 CA--C 1.504 -0.797 0 N-CA-C 108.704 -0.85 . . . . 0.0 108.704 . . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 2' ' ' CYS . . . . . . . . . . . . . 13.8 p -96.92 165.78 11.93 Favored 'General case' 0 C--N 1.294 -1.83 0 N-CA-C 108.448 -0.945 . . . . 0.0 108.448 176.592 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 3' ' ' GLN . . . . . 0.538 ' HB2' ' HA ' ' A' ' 15' ' ' CYS . 13.5 mm100 -84.27 119.48 25.1 Favored 'General case' 0 C--N 1.298 -1.657 0 C-N-CA 120.067 -0.653 . . . . 0.0 109.751 178.676 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 62.8 mttp -72.64 176.3 5.62 Favored 'General case' 0 C--N 1.323 -0.55 0 CA-C-O 121.198 0.523 . . . . 0.0 111.41 179.363 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 5' ' ' TRP . . . . . . . . . . . . . 46.9 p90 -64.55 -24.22 67.53 Favored 'General case' 0 C--N 1.318 -0.78 0 C-N-CA 124.371 1.068 . . . . 0.0 110.758 -178.992 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 6' ' ' MET . . . . . . . . . . . . . 48.4 ttm -86.67 -15.39 39.78 Favored 'General case' 0 C--N 1.31 -1.112 0 CA-C-N 114.819 -1.082 . . . . 0.0 110.338 -178.564 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 7' ' ' TRP . . . . . . . . . . . . . 49.7 m0 -101.44 -176.46 3.15 Favored 'General case' 0 C--N 1.298 -1.663 0 CA-C-N 115.654 -0.703 . . . . 0.0 110.928 -179.516 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 8' ' ' THR . . . . . 0.557 ' HB ' ' O ' ' A' ' 23' ' ' LEU . 70.4 p -128.1 163.22 25.08 Favored 'General case' 0 C--N 1.302 -1.49 0 N-CA-C 108.942 -0.762 . . . . 0.0 108.942 -175.656 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 9' ' ' CYS . . . . . 0.564 ' HB2' ' O ' ' A' ' 13' ' ' ARG . 31.9 p -130.59 175.1 9.28 Favored 'General case' 0 C--O 1.244 0.77 0 C-N-CA 118.314 -1.354 . . . . 0.0 110.881 178.888 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 18.3 m-20 -146.8 -158.22 0.89 Allowed 'General case' 0 CA--C 1.504 -0.79 0 N-CA-C 107.244 -1.391 . . . . 0.0 107.244 -176.618 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 20.6 m -65.04 -42.37 94.35 Favored 'General case' 0 C--N 1.311 -1.076 0 CA-C-O 120.767 0.317 . . . . 0.0 111.17 178.687 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 39.3 mm-40 -89.46 -54.32 4.14 Favored 'General case' 0 C--N 1.322 -0.611 0 C-N-CA 120.181 -0.608 . . . . 0.0 112.11 -179.528 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 13' ' ' ARG . . . . . 0.564 ' O ' ' HB2' ' A' ' 9' ' ' CYS . 83.9 mtm180 -62.23 122.63 16.1 Favored 'General case' 0 N--CA 1.474 0.741 0 N-CA-C 111.613 0.227 . . . . 0.0 111.613 -179.362 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 22.4 ptmt -104.84 144.94 31.08 Favored 'General case' 0 C--N 1.319 -0.726 0 CA-C-N 116.036 -0.529 . . . . 0.0 110.722 -178.816 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 15' ' ' CYS . . . . . 0.538 ' HA ' ' HB2' ' A' ' 3' ' ' GLN . 57.5 m -79.7 164.86 23.4 Favored 'General case' 0 C--N 1.308 -1.206 0 N-CA-C 109.666 -0.494 . . . . 0.0 109.666 178.32 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 60.7 m -66.25 153.71 41.82 Favored 'General case' 0 C--N 1.295 -1.797 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.088 177.1 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 58.1 tptt -56.25 119.33 5.79 Favored 'General case' 0 C--O 1.24 0.578 0 C-N-CA 123.111 0.565 . . . . 0.0 110.42 179.607 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 106.73 14.55 19.19 Favored Glycine 0 N--CA 1.436 -1.339 0 C-N-CA 120.564 -0.827 . . . . 0.0 111.298 -178.558 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 19' ' ' MET . . . . . . . . . . . . . 65.1 mtt -129.06 158.68 38.25 Favored 'General case' 0 C--N 1.311 -1.081 0 N-CA-C 109.087 -0.708 . . . . 0.0 109.087 176.728 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 33.2 m -106.44 143.4 17.36 Favored 'Isoleucine or valine' 0 C--N 1.305 -1.347 0 N-CA-C 108.441 -0.948 . . . . 0.0 108.441 176.963 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 13.8 t -89.81 138.58 31.36 Favored 'General case' 0 C--N 1.293 -1.878 0 N-CA-C 109.395 -0.594 . . . . 0.0 109.395 -177.342 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 22' ' ' ARG . . . . . 0.533 ' HG2' ' H ' ' A' ' 23' ' ' LEU . 70.6 ttt180 -171.25 -171.4 0.95 Allowed 'General case' 0 C--O 1.27 2.155 0 N-CA-C 105.875 -1.898 . . . . 0.0 105.875 -179.063 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 23' ' ' LEU . . . . . 0.557 ' O ' ' HB ' ' A' ' 8' ' ' THR . 92.4 mt -48.39 -25.69 1.73 Allowed 'General case' 0 C--O 1.213 -0.822 0 C-N-CA 123.537 0.735 . . . . 0.0 111.632 175.119 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 24' ' ' TRP . . . . . 0.534 ' HA ' ' HA ' ' A' ' 8' ' ' THR . 18.1 p90 -138.92 159.59 41.76 Favored 'General case' 0 N--CA 1.426 -1.653 0 N-CA-C 106.982 -1.488 . . . . 0.0 106.982 172.872 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 88.7 m -87.51 125.13 34.14 Favored 'General case' 0 C--N 1.315 -0.898 0 CA-C-N 118.331 0.514 . . . . 0.0 110.215 177.966 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 40.2 ttpt -118.26 141.28 48.68 Favored 'General case' 0 C--N 1.302 -1.461 0 N-CA-C 109.103 -0.703 . . . . 0.0 109.103 -177.251 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 95.3 mttt -71.3 138.03 48.99 Favored 'General case' 0 C--N 1.311 -1.081 0 CA-C-O 121.236 0.541 . . . . 0.0 110.587 -178.993 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 86.2 tttt -100.26 88.05 3.59 Favored 'General case' 0 C--N 1.292 -1.908 0 N-CA-C 107.333 -1.358 . . . . 0.0 107.333 179.484 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 29' ' ' LEU . . . . . 0.613 ' H ' HD23 ' A' ' 29' ' ' LEU . 2.3 pt? -107.94 5.02 25.91 Favored 'General case' 0 C--N 1.304 -1.398 0 CA-C-O 121.272 0.558 . . . . 0.0 110.367 -178.547 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 30' ' ' TRP . . . . . . . . . . . . . 79.3 m95 . . . . . 0 C--N 1.303 -1.414 0 CA-C-N 115.464 -0.789 . . . . 0.0 108.904 -177.858 . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 1' ' ' TYR . . . . . . . . . . . . . 93.0 m-85 . . . . . 0 CA--C 1.503 -0.842 0 N-CA-C 108.802 -0.814 . . . . 0.0 108.802 . . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 2' ' ' CYS . . . . . . . . . . . . . 49.5 t -82.67 160.4 22.43 Favored 'General case' 0 C--N 1.308 -1.239 0 N-CA-C 106.534 -1.654 . . . . 0.0 106.534 176.227 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 3' ' ' GLN . . . . . 0.511 ' OE1' ' HA ' ' A' ' 9' ' ' CYS . 5.4 mt-30 -100.31 123.87 45.08 Favored 'General case' 0 C--N 1.303 -1.449 0 C-N-CA 118.572 -1.251 . . . . 0.0 112.25 -176.049 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 92.3 mttt -78.66 163.91 25.05 Favored 'General case' 0 C--N 1.314 -0.963 0 CA-C-N 113.807 -1.542 . . . . 0.0 110.438 -176.266 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 5' ' ' TRP . . . . . . . . . . . . . 13.6 p-90 -58.25 -27.87 64.38 Favored 'General case' 0 N--CA 1.482 1.163 0 C-N-CA 123.459 0.704 . . . . 0.0 111.728 -176.177 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 6' ' ' MET . . . . . . . . . . . . . 49.6 ttm -79.54 -13.77 59.31 Favored 'General case' 0 C--N 1.313 -1.01 0 CA-C-O 121.506 0.669 . . . . 0.0 111.099 -177.23 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 7' ' ' TRP . . . . . 0.428 ' CE3' ' HA ' ' A' ' 3' ' ' GLN . 41.9 m0 -96.89 -174.08 2.88 Favored 'General case' 0 C--N 1.294 -1.811 0 CA-C-N 115.725 -0.67 . . . . 0.0 109.862 -177.601 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 8' ' ' THR . . . . . 0.552 HG22 ' HA ' ' A' ' 24' ' ' TRP . 34.0 p -131.0 156.23 45.47 Favored 'General case' 0 C--N 1.295 -1.784 0 N-CA-C 106.829 -1.545 . . . . 0.0 106.829 179.53 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 9' ' ' CYS . . . . . 0.593 ' HB2' ' O ' ' A' ' 13' ' ' ARG . 31.9 p -120.47 170.26 9.55 Favored 'General case' 0 CA--C 1.504 -0.795 0 C-N-CA 116.98 -1.888 . . . . 0.0 112.184 -179.011 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 4.3 p30 -132.82 -160.0 1.01 Allowed 'General case' 0 C--N 1.309 -1.189 0 N-CA-C 107.374 -1.343 . . . . 0.0 107.374 179.563 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 50.3 p -74.76 -40.95 60.91 Favored 'General case' 0 C--N 1.308 -1.215 0 CA-C-N 118.385 0.539 . . . . 0.0 111.267 -178.622 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 12.7 mm-40 -82.49 -44.7 15.64 Favored 'General case' 0 N--CA 1.434 -1.271 0 CA-C-N 115.634 -0.712 . . . . 0.0 109.133 -173.497 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 13' ' ' ARG . . . . . 0.593 ' O ' ' HB2' ' A' ' 9' ' ' CYS . 5.2 mmp_? -98.61 115.89 29.64 Favored 'General case' 0 CA--C 1.492 -1.275 0 CA-C-N 115.664 -0.698 . . . . 0.0 110.135 177.052 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 14' ' ' LYS . . . . . 0.436 ' HA ' ' SG ' ' A' ' 21' ' ' CYS . 57.7 mttp -105.85 157.16 17.67 Favored 'General case' 0 C--N 1.293 -1.872 0 O-C-N 123.66 0.6 . . . . 0.0 110.839 -179.73 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 15' ' ' CYS . . . . . 0.486 ' HA ' ' HB2' ' A' ' 3' ' ' GLN . 60.1 m -76.6 159.92 29.87 Favored 'General case' 0 C--O 1.248 0.996 0 CA-C-N 116.597 -0.274 . . . . 0.0 110.294 177.906 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 16' ' ' CYS . . . . . 0.412 ' O ' ' HB2' ' A' ' 19' ' ' MET . 85.8 m -65.14 165.86 10.6 Favored 'General case' 0 C--N 1.305 -1.352 0 N-CA-C 113.488 0.922 . . . . 0.0 113.488 -179.287 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 39.7 ttmt -64.92 141.1 58.89 Favored 'General case' 0 C--N 1.32 -0.685 0 CA-C-N 115.056 -0.974 . . . . 0.0 109.382 177.219 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 92.52 -3.56 75.37 Favored Glycine 0 N--CA 1.435 -1.401 0 N-CA-C 109.372 -1.491 . . . . 0.0 109.372 -175.654 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 19' ' ' MET . . . . . 0.412 ' HB2' ' O ' ' A' ' 16' ' ' CYS . 60.4 mtt -129.26 154.9 46.37 Favored 'General case' 0 N--CA 1.428 -1.57 0 N-CA-C 108.273 -1.01 . . . . 0.0 108.273 178.704 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 7.4 p -106.58 132.01 54.91 Favored 'Isoleucine or valine' 0 C--N 1.281 -2.372 0 N-CA-C 108.232 -1.025 . . . . 0.0 108.232 178.558 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 21' ' ' CYS . . . . . 0.436 ' SG ' ' HA ' ' A' ' 14' ' ' LYS . 35.2 t -76.08 110.75 10.82 Favored 'General case' 0 N--CA 1.427 -1.617 0 N-CA-C 108.129 -1.063 . . . . 0.0 108.129 179.771 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 22' ' ' ARG . . . . . 0.488 ' HB3' ' H ' ' A' ' 23' ' ' LEU . 21.1 mmm180 -140.39 -161.86 1.26 Allowed 'General case' 0 C--O 1.287 3.03 0 CA-C-N 115.58 -0.737 . . . . 0.0 110.207 -178.776 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 23' ' ' LEU . . . . . 0.488 ' H ' ' HB3' ' A' ' 22' ' ' ARG . 55.0 tp -52.09 -39.63 60.06 Favored 'General case' 0 CA--C 1.512 -0.486 0 CA-C-N 113.641 -1.618 . . . . 0.0 107.792 177.876 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 24' ' ' TRP . . . . . 0.552 ' HA ' HG22 ' A' ' 8' ' ' THR . 36.1 p90 -130.55 165.49 22.62 Favored 'General case' 0 N--CA 1.417 -2.114 0 N-CA-C 107.403 -1.332 . . . . 0.0 107.403 171.311 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 99.4 m -76.59 115.48 16.38 Favored 'General case' 0 C--N 1.31 -1.112 0 CA-C-O 121.593 0.711 . . . . 0.0 109.654 176.348 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 52.8 tttm -114.92 129.51 56.72 Favored 'General case' 0 N--CA 1.415 -2.217 0 CA-C-N 115.255 -0.884 . . . . 0.0 109.567 -175.387 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 8.5 mtpm? -64.73 130.77 44.8 Favored 'General case' 0 N--CA 1.44 -0.943 0 N-CA-C 108.783 -0.821 . . . . 0.0 108.783 174.92 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 65.0 tttp -104.84 97.23 7.14 Favored 'General case' 0 C--N 1.278 -2.518 0 CA-C-N 114.615 -1.175 . . . . 0.0 110.413 -173.886 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 89.9 mt -84.24 -47.94 10.28 Favored 'General case' 0 C--N 1.302 -1.491 0 N-CA-C 106.364 -1.717 . . . . 0.0 106.364 173.678 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 30' ' ' TRP . . . . . . . . . . . . . 11.0 m-90 . . . . . 0 N--CA 1.426 -1.663 0 CA-C-N 114.826 -1.079 . . . . 0.0 108.49 178.146 . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 1' ' ' TYR . . . . . . . . . . . . . 41.9 p90 . . . . . 0 CA--C 1.507 -0.693 0 N-CA-C 109.716 -0.476 . . . . 0.0 109.716 . . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 2' ' ' CYS . . . . . 0.401 ' HB3' ' HB2' ' A' ' 16' ' ' CYS . 43.6 m -151.69 143.26 23.56 Favored 'General case' 0 C--N 1.299 -1.591 0 CA-C-N 116.479 -0.328 . . . . 0.0 110.926 -178.18 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 3' ' ' GLN . . . . . 0.485 ' HB2' ' HA ' ' A' ' 15' ' ' CYS . 15.3 mm100 -83.88 144.27 29.34 Favored 'General case' 0 N--CA 1.438 -1.049 0 N-CA-C 106.717 -1.586 . . . . 0.0 106.717 170.507 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 97.0 mttt -91.5 172.18 8.69 Favored 'General case' 0 C--N 1.3 -1.555 0 CA-C-O 120.804 0.335 . . . . 0.0 111.059 -178.229 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 5' ' ' TRP . . . . . . . . . . . . . 46.3 p90 -62.66 -26.4 68.62 Favored 'General case' 0 C--N 1.317 -0.829 0 C-N-CA 124.665 1.186 . . . . 0.0 110.553 178.868 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 6' ' ' MET . . . . . . . . . . . . . 25.5 ttt -77.58 -25.15 49.73 Favored 'General case' 0 C--N 1.312 -1.028 0 CA-C-N 114.871 -1.059 . . . . 0.0 109.909 179.689 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 7' ' ' TRP . . . . . 0.418 ' CE3' ' HA ' ' A' ' 3' ' ' GLN . 28.9 m0 -94.52 -176.87 4.05 Favored 'General case' 0 C--N 1.292 -1.909 0 CA-C-N 115.01 -0.996 . . . . 0.0 109.809 -174.048 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 8' ' ' THR . . . . . 0.584 HG22 ' HA ' ' A' ' 24' ' ' TRP . 47.3 p -127.6 172.3 10.87 Favored 'General case' 0 C--N 1.29 -1.984 0 N-CA-C 106.653 -1.61 . . . . 0.0 106.653 -179.768 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 9' ' ' CYS . . . . . 0.595 ' HB3' ' SG ' ' A' ' 15' ' ' CYS . 18.5 p -119.63 179.23 4.29 Favored 'General case' 0 N--CA 1.448 -0.546 0 C-N-CA 115.989 -2.284 . . . . 0.0 111.645 177.583 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 10' ' ' ASP . . . . . 0.407 ' CG ' ' H ' ' A' ' 11' ' ' SER . 31.7 t70 -143.01 -166.06 2.21 Favored 'General case' 0 C--N 1.3 -1.587 0 N-CA-C 105.733 -1.951 . . . . 0.0 105.733 -176.266 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 11' ' ' SER . . . . . 0.407 ' H ' ' CG ' ' A' ' 10' ' ' ASP . 14.3 p -78.69 -37.81 40.77 Favored 'General case' 0 C--N 1.293 -1.881 0 N-CA-C 108.184 -1.043 . . . . 0.0 108.184 176.097 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 27.8 mm-40 -86.63 -50.06 7.07 Favored 'General case' 0 N--CA 1.439 -1.013 0 CA-C-N 115.726 -0.67 . . . . 0.0 111.147 178.456 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 13' ' ' ARG . . . . . 0.505 ' O ' ' HB2' ' A' ' 9' ' ' CYS . 5.9 mmp_? -77.24 111.01 12.43 Favored 'General case' 0 C--O 1.21 -0.999 0 N-CA-C 108.31 -0.996 . . . . 0.0 108.31 176.689 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 62.4 pttt -106.65 149.34 27.32 Favored 'General case' 0 C--N 1.277 -2.563 0 C-N-CA 120.578 -0.449 . . . . 0.0 112.121 -179.553 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 15' ' ' CYS . . . . . 0.719 ' SG ' ' HA ' ' A' ' 21' ' ' CYS . 61.4 m -70.67 160.44 32.6 Favored 'General case' 0 C--N 1.321 -0.671 0 CA-C-N 116.017 -0.538 . . . . 0.0 109.801 178.022 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 16' ' ' CYS . . . . . 0.401 ' HB2' ' HB3' ' A' ' 2' ' ' CYS . 3.1 t -74.34 174.78 8.37 Favored 'General case' 0 C--N 1.314 -0.938 0 CA-C-O 121.105 0.478 . . . . 0.0 111.001 -175.483 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 66.7 tttm -68.1 126.26 28.96 Favored 'General case' 0 N--CA 1.44 -0.929 0 CA-C-N 115.791 -0.64 . . . . 0.0 109.486 179.059 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 96.0 10.3 56.37 Favored Glycine 0 C--N 1.309 -0.931 0 N-CA-C 110.459 -1.056 . . . . 0.0 110.459 -177.585 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 19' ' ' MET . . . . . . . . . . . . . 67.1 mtt -122.13 159.2 27.68 Favored 'General case' 0 N--CA 1.433 -1.299 0 CA-C-N 115.008 -0.596 . . . . 0.0 109.477 177.292 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 72.5 t -105.86 123.69 60.54 Favored 'Isoleucine or valine' 0 C--N 1.292 -1.908 0 N-CA-C 107.352 -1.351 . . . . 0.0 107.352 177.615 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 21' ' ' CYS . . . . . 0.719 ' HA ' ' SG ' ' A' ' 15' ' ' CYS . 34.6 t -76.5 107.46 8.79 Favored 'General case' 0 CA--C 1.501 -0.918 0 N-CA-C 107.538 -1.282 . . . . 0.0 107.538 178.407 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 22' ' ' ARG . . . . . 0.443 ' HG2' ' H ' ' A' ' 23' ' ' LEU . 56.3 ttt180 -142.73 -170.19 3.16 Favored 'General case' 0 N--CA 1.401 -2.919 0 N-CA-C 108.102 -1.073 . . . . 0.0 108.102 -173.308 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 23' ' ' LEU . . . . . 0.447 HD22 ' H ' ' A' ' 23' ' ' LEU . 2.9 mm? -55.2 -18.11 5.42 Favored 'General case' 0 N--CA 1.472 0.637 0 C-N-CA 124.183 0.993 . . . . 0.0 110.668 177.46 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 24' ' ' TRP . . . . . 0.584 ' HA ' HG22 ' A' ' 8' ' ' THR . 14.7 p90 -147.17 157.75 43.71 Favored 'General case' 0 N--CA 1.416 -2.126 0 N-CA-C 105.752 -1.944 . . . . 0.0 105.752 170.967 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 61.3 m -82.66 114.24 20.9 Favored 'General case' 0 CA--C 1.492 -1.266 0 CA-C-N 118.933 0.788 . . . . 0.0 110.695 178.644 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 86.7 tttt -110.34 118.24 35.79 Favored 'General case' 0 N--CA 1.412 -2.37 0 CA-C-N 115.524 -0.762 . . . . 0.0 110.739 -177.069 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 22.0 pttp -81.41 153.07 27.13 Favored 'General case' 0 C--N 1.308 -1.206 0 N-CA-C 108.695 -0.854 . . . . 0.0 108.695 175.018 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -55.6 150.67 11.9 Favored 'General case' 0 C--N 1.312 -1.023 0 N-CA-C 112.962 0.726 . . . . 0.0 112.962 -176.743 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 91.2 mt -82.41 -5.39 58.62 Favored 'General case' 0 C--N 1.31 -1.13 0 CA-C-N 115.543 -0.753 . . . . 0.0 110.457 179.248 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 30' ' ' TRP . . . . . . . . . . . . . 8.1 t-105 . . . . . 0 N--CA 1.429 -1.517 0 N-CA-C 107.748 -1.204 . . . . 0.0 107.748 -179.839 . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 1' ' ' TYR . . . . . . . . . . . . . 94.4 m-85 . . . . . 0 CA--C 1.506 -0.741 0 N-CA-C 110.285 -0.265 . . . . 0.0 110.285 . . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 2' ' ' CYS . . . . . . . . . . . . . 53.4 t -84.43 162.21 20.04 Favored 'General case' 0 C--N 1.311 -1.099 0 N-CA-C 106.786 -1.561 . . . . 0.0 106.786 175.546 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 3' ' ' GLN . . . . . 0.452 ' HG2' ' O ' ' A' ' 14' ' ' LYS . 10.3 mm100 -83.54 132.4 34.93 Favored 'General case' 0 C--N 1.306 -1.312 0 C-N-CA 119.957 -0.697 . . . . 0.0 109.701 -176.191 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 95.3 mttt -94.42 176.59 6.24 Favored 'General case' 0 C--N 1.306 -1.305 0 CA-C-N 115.515 -0.766 . . . . 0.0 110.828 -179.189 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 5' ' ' TRP . . . . . . . . . . . . . 44.7 p90 -63.24 -23.84 67.6 Favored 'General case' 0 N--CA 1.478 0.955 0 C-N-CA 124.665 1.186 . . . . 0.0 110.772 178.388 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 6' ' ' MET . . . . . . . . . . . . . 39.0 ttm -81.36 -21.65 38.96 Favored 'General case' 0 C--N 1.308 -1.201 0 CA-C-N 114.851 -1.068 . . . . 0.0 110.383 178.387 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 7' ' ' TRP . . . . . . . . . . . . . 17.7 m0 -96.67 -176.55 3.63 Favored 'General case' 0 C--N 1.295 -1.79 0 CA-C-N 114.919 -1.037 . . . . 0.0 110.525 -171.375 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 8' ' ' THR . . . . . 0.511 ' HB ' ' O ' ' A' ' 23' ' ' LEU . 71.3 p -128.22 167.79 16.37 Favored 'General case' 0 C--N 1.302 -1.477 0 N-CA-C 107.711 -1.218 . . . . 0.0 107.711 178.921 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 26.4 p -133.91 -178.5 5.05 Favored 'General case' 0 C--O 1.253 1.283 0 C-N-CA 117.541 -1.663 . . . . 0.0 111.834 177.019 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 17.7 t70 -157.95 -165.35 1.71 Allowed 'General case' 0 C--N 1.309 -1.153 0 N-CA-C 105.444 -2.058 . . . . 0.0 105.444 -175.812 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 19.5 m -80.74 -26.5 37.33 Favored 'General case' 0 C--N 1.306 -1.284 0 N-CA-C 108.421 -0.955 . . . . 0.0 108.421 177.57 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 45.3 mt-10 -83.18 -57.59 3.21 Favored 'General case' 0 N--CA 1.442 -0.835 0 CA-C-N 115.143 -0.935 . . . . 0.0 109.51 177.109 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 13' ' ' ARG . . . . . 0.408 ' HA ' ' NE ' ' A' ' 13' ' ' ARG . 4.6 mmp_? -71.75 112.02 7.51 Favored 'General case' 0 CA--C 1.509 -0.625 0 N-CA-C 109.753 -0.462 . . . . 0.0 109.753 177.544 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 14' ' ' LYS . . . . . 0.59 ' H ' ' HD3' ' A' ' 14' ' ' LYS . 0.0 OUTLIER -88.85 132.3 34.72 Favored 'General case' 0 C--N 1.3 -1.551 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.176 -177.596 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 15' ' ' CYS . . . . . 0.444 ' HA ' ' HB2' ' A' ' 3' ' ' GLN . 8.2 t -92.48 157.64 16.45 Favored 'General case' 0 C--N 1.295 -1.774 0 N-CA-C 108.365 -0.976 . . . . 0.0 108.365 -177.7 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 75.3 m -72.47 149.59 44.04 Favored 'General case' 0 C--N 1.306 -1.307 0 CA-C-O 121.324 0.583 . . . . 0.0 112.124 -176.235 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 99.0 mttt -71.18 131.5 43.63 Favored 'General case' 0 N--CA 1.434 -1.254 0 N-CA-C 107.634 -1.247 . . . . 0.0 107.634 175.073 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 107.05 2.3 36.15 Favored Glycine 0 C--N 1.287 -2.152 0 N-CA-C 108.655 -1.778 . . . . 0.0 108.655 -171.721 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 19' ' ' MET . . . . . 0.434 ' HG2' ' HA ' ' A' ' 27' ' ' LYS . 65.4 mtt -131.29 159.24 38.43 Favored 'General case' 0 CA--C 1.498 -1.04 0 N-CA-C 107.426 -1.324 . . . . 0.0 107.426 175.76 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 65.4 t -106.16 125.4 61.8 Favored 'Isoleucine or valine' 0 C--N 1.287 -2.15 0 N-CA-C 107.237 -1.394 . . . . 0.0 107.237 177.28 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 27.5 t -80.25 136.32 36.43 Favored 'General case' 0 N--CA 1.429 -1.493 0 N-CA-C 108.612 -0.884 . . . . 0.0 108.612 -178.343 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 22' ' ' ARG . . . . . 0.438 ' HG2' ' H ' ' A' ' 23' ' ' LEU . 57.6 ttt180 -167.52 -167.32 0.87 Allowed 'General case' 0 C--O 1.279 2.613 0 N-CA-C 106.526 -1.657 . . . . 0.0 106.526 -175.289 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 23' ' ' LEU . . . . . 0.511 ' O ' ' HB ' ' A' ' 8' ' ' THR . 6.5 mp -54.64 -23.46 17.25 Favored 'General case' 0 N--CA 1.474 0.763 0 C-N-CA 122.695 0.398 . . . . 0.0 110.156 176.03 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 24' ' ' TRP . . . . . 0.49 ' HA ' ' HA ' ' A' ' 8' ' ' THR . 9.3 p90 -138.09 162.16 34.91 Favored 'General case' 0 N--CA 1.423 -1.811 0 N-CA-C 106.457 -1.682 . . . . 0.0 106.457 174.063 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 14.7 m -92.5 131.95 37.22 Favored 'General case' 0 C--N 1.307 -1.241 0 CA-C-N 118.68 0.673 . . . . 0.0 110.427 176.29 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 86.5 tttt -130.07 122.13 27.73 Favored 'General case' 0 N--CA 1.42 -1.932 0 CA-C-N 116.24 -0.436 . . . . 0.0 109.965 -179.445 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 27' ' ' LYS . . . . . 0.434 ' HA ' ' HG2' ' A' ' 19' ' ' MET . 13.7 ptmm? -72.23 142.62 48.97 Favored 'General case' 0 C--N 1.308 -1.226 0 CA-C-O 121.394 0.616 . . . . 0.0 111.427 -176.724 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 24.8 tptp -86.85 117.72 25.77 Favored 'General case' 0 C--N 1.297 -1.691 0 N-CA-C 106.174 -1.787 . . . . 0.0 106.174 -178.834 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 67.7 mt -69.16 -48.17 62.99 Favored 'General case' 0 C--N 1.3 -1.55 0 CA-C-O 121.685 0.755 . . . . 0.0 109.1 -177.788 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 30' ' ' TRP . . . . . . . . . . . . . 86.7 t90 . . . . . 0 N--CA 1.424 -1.74 0 N-CA-C 106.108 -1.812 . . . . 0.0 106.108 177.985 . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 1' ' ' TYR . . . . . . . . . . . . . 61.3 m-85 . . . . . 0 N--CA 1.452 -0.366 0 N-CA-C 109.145 -0.687 . . . . 0.0 109.145 . . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 2' ' ' CYS . . . . . . . . . . . . . 54.8 m -152.5 147.65 26.47 Favored 'General case' 0 CA--C 1.497 -1.085 0 CA-C-N 116.602 -0.272 . . . . 0.0 111.234 -177.461 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 3' ' ' GLN . . . . . 0.487 ' HB2' ' HA ' ' A' ' 15' ' ' CYS . 15.5 mm100 -83.55 109.8 17.7 Favored 'General case' 0 N--CA 1.433 -1.312 0 N-CA-C 106.493 -1.669 . . . . 0.0 106.493 172.511 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 93.2 mttt -80.82 165.54 21.78 Favored 'General case' 0 C--N 1.308 -1.203 0 CA-C-N 115.393 -0.821 . . . . 0.0 111.053 -175.216 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 5' ' ' TRP . . . . . . . . . . . . . 42.9 p90 -55.88 -26.86 49.17 Favored 'General case' 0 N--CA 1.479 1.011 0 C-N-CA 125.713 1.605 . . . . 0.0 110.853 176.636 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 6' ' ' MET . . . . . . . . . . . . . 25.5 ttt -66.17 -27.05 67.72 Favored 'General case' 0 C--N 1.316 -0.882 0 CA-C-N 114.525 -1.216 . . . . 0.0 110.925 179.003 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 7' ' ' TRP . . . . . . . . . . . . . 19.9 m0 -108.05 -168.95 1.43 Allowed 'General case' 0 C--N 1.304 -1.372 0 CA-C-N 115.852 -0.613 . . . . 0.0 110.057 -175.862 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 8' ' ' THR . . . . . 0.567 ' HA ' ' HA ' ' A' ' 24' ' ' TRP . 45.4 p -125.68 163.06 23.63 Favored 'General case' 0 C--N 1.304 -1.403 0 N-CA-C 108.953 -0.758 . . . . 0.0 108.953 -177.598 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 9' ' ' CYS . . . . . 0.686 ' HB2' ' O ' ' A' ' 13' ' ' ARG . 19.8 p -128.36 177.99 6.58 Favored 'General case' 0 C--O 1.248 1.017 0 C-N-CA 117.328 -1.749 . . . . 0.0 110.392 177.729 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 7.5 t70 -147.48 -161.42 1.33 Allowed 'General case' 0 C--N 1.31 -1.148 0 N-CA-C 105.134 -2.172 . . . . 0.0 105.134 178.526 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 76.2 p -79.71 -19.8 48.01 Favored 'General case' 0 C--N 1.315 -0.924 0 CA-C-N 120.295 1.407 . . . . 0.0 109.708 178.209 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 45.4 mt-10 -82.16 -64.66 1.13 Allowed 'General case' 0 N--CA 1.443 -0.798 0 CA-C-N 115.019 -0.991 . . . . 0.0 110.289 178.879 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 13' ' ' ARG . . . . . 0.686 ' O ' ' HB2' ' A' ' 9' ' ' CYS . 80.4 mtm180 -84.65 116.2 23.07 Favored 'General case' 0 C--O 1.206 -1.21 0 N-CA-C 108.405 -0.961 . . . . 0.0 108.405 175.335 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 49.5 mtmt -105.11 150.19 25.23 Favored 'General case' 0 C--N 1.309 -1.163 0 N-CA-C 109.257 -0.645 . . . . 0.0 109.257 -179.766 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 15' ' ' CYS . . . . . 0.487 ' HA ' ' HB2' ' A' ' 3' ' ' GLN . 13.7 m -79.64 147.67 31.93 Favored 'General case' 0 C--N 1.311 -1.099 0 N-CA-C 107.957 -1.127 . . . . 0.0 107.957 176.156 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 67.6 m -72.7 162.33 29.61 Favored 'General case' 0 C--N 1.313 -0.993 0 C-N-CA 120.202 -0.599 . . . . 0.0 111.64 177.749 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 60.9 tttm -53.42 133.86 40.4 Favored 'General case' 0 N--CA 1.453 -0.323 0 C-N-CA 124.282 1.033 . . . . 0.0 111.16 -178.233 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 111.14 -18.33 26.01 Favored Glycine 0 C--N 1.307 -1.083 0 N-CA-C 108.715 -1.754 . . . . 0.0 108.715 -175.924 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 19' ' ' MET . . . . . . . . . . . . . 51.3 mtm -124.63 147.92 48.23 Favored 'General case' 0 N--CA 1.427 -1.604 0 N-CA-C 107.705 -1.22 . . . . 0.0 107.705 175.985 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 8.9 p -106.47 133.03 52.17 Favored 'Isoleucine or valine' 0 C--N 1.291 -1.95 0 N-CA-C 108.128 -1.064 . . . . 0.0 108.128 -179.37 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 21' ' ' CYS . . . . . 0.416 ' HA ' ' SG ' ' A' ' 15' ' ' CYS . 11.4 t -71.53 120.44 17.12 Favored 'General case' 0 N--CA 1.431 -1.411 0 CA-C-N 115.677 -0.692 . . . . 0.0 109.271 -177.707 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 22' ' ' ARG . . . . . 0.498 ' HG3' ' H ' ' A' ' 23' ' ' LEU . 22.2 tpt180 -149.77 -174.52 4.72 Favored 'General case' 0 C--O 1.286 3.017 0 N-CA-C 107.052 -1.462 . . . . 0.0 107.052 -175.913 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 23' ' ' LEU . . . . . 0.498 ' H ' ' HG3' ' A' ' 22' ' ' ARG . 74.3 mt -49.34 -28.2 4.72 Favored 'General case' 0 N--CA 1.47 0.554 0 C-N-CA 123.867 0.867 . . . . 0.0 110.407 175.909 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 24' ' ' TRP . . . . . 0.567 ' HA ' ' HA ' ' A' ' 8' ' ' THR . 12.6 p90 -138.07 158.63 43.94 Favored 'General case' 0 N--CA 1.422 -1.848 0 N-CA-C 105.41 -2.07 . . . . 0.0 105.41 171.158 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 67.0 m -74.89 114.26 13.14 Favored 'General case' 0 C--N 1.31 -1.127 0 C-N-CA 119.35 -0.94 . . . . 0.0 109.635 176.683 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 60.1 tttp -110.7 146.54 36.08 Favored 'General case' 0 C--N 1.298 -1.659 0 N-CA-C 108.999 -0.741 . . . . 0.0 108.999 -177.54 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 90.8 mttt -66.03 140.22 58.26 Favored 'General case' 0 C--N 1.304 -1.38 0 N-CA-C 109.339 -0.615 . . . . 0.0 109.339 177.145 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 65.0 tttm -86.79 89.63 8.02 Favored 'General case' 0 C--N 1.298 -1.633 0 N-CA-C 108.278 -1.008 . . . . 0.0 108.278 179.754 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 64.0 mt -77.81 -46.49 21.39 Favored 'General case' 0 C--N 1.303 -1.42 0 N-CA-C 108.072 -1.084 . . . . 0.0 108.072 -179.845 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 30' ' ' TRP . . . . . . . . . . . . . 14.5 m-90 . . . . . 0 N--CA 1.426 -1.642 0 N-CA-C 107.459 -1.312 . . . . 0.0 107.459 178.518 . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 1' ' ' TYR . . . . . 0.485 ' OH ' ' HA ' ' A' ' 13' ' ' ARG . 22.4 p90 . . . . . 0 CA--C 1.505 -0.774 0 N-CA-C 110.022 -0.362 . . . . 0.0 110.022 . . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 2' ' ' CYS . . . . . . . . . . . . . 11.7 t -109.92 149.63 29.63 Favored 'General case' 0 N--CA 1.423 -1.81 0 N-CA-C 109.15 -0.685 . . . . 0.0 109.15 -179.203 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 15.3 mm100 -114.71 137.49 51.85 Favored 'General case' 0 C--N 1.298 -1.665 0 CA-C-N 115.865 -0.607 . . . . 0.0 109.805 -178.607 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 97.0 mttt -94.94 166.11 12.12 Favored 'General case' 0 C--N 1.307 -1.265 0 N-CA-C 108.648 -0.871 . . . . 0.0 108.648 176.725 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 5' ' ' TRP . . . . . . . . . . . . . 19.4 p-90 -68.33 -19.7 64.68 Favored 'General case' 0 N--CA 1.487 1.395 0 CA-C-O 122.263 1.03 . . . . 0.0 110.155 -177.142 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 6' ' ' MET . . . . . 0.476 ' HG3' ' CD1' ' A' ' 7' ' ' TRP . 23.3 ptp -79.09 -7.98 58.59 Favored 'General case' 0 C--N 1.309 -1.166 0 CA-C-N 114.623 -1.171 . . . . 0.0 110.282 -179.834 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 7' ' ' TRP . . . . . 0.476 ' CD1' ' HG3' ' A' ' 6' ' ' MET . 43.1 m0 -112.93 -175.27 2.63 Favored 'General case' 0 N--CA 1.443 -0.788 0 N-CA-C 109.051 -0.722 . . . . 0.0 109.051 -179.887 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 8' ' ' THR . . . . . 0.596 ' HA ' ' HA ' ' A' ' 24' ' ' TRP . 31.4 p -125.32 167.61 14.67 Favored 'General case' 0 C--N 1.299 -1.627 0 CA-C-O 119.044 -0.503 . . . . 0.0 110.432 -176.099 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 9' ' ' CYS . . . . . 0.512 ' HB2' ' O ' ' A' ' 13' ' ' ARG . 28.7 p -133.77 177.26 7.85 Favored 'General case' 0 C--O 1.245 0.862 0 C-N-CA 118.046 -1.461 . . . . 0.0 110.23 174.329 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 14.0 m-20 -148.58 -170.47 3.62 Favored 'General case' 0 CA--C 1.497 -1.069 0 N-CA-C 108.243 -1.021 . . . . 0.0 108.243 -173.686 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 8.6 m -72.79 -26.08 61.39 Favored 'General case' 0 C--N 1.312 -1.03 0 N-CA-C 108.184 -1.043 . . . . 0.0 108.184 174.756 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 20.4 mm-40 -86.65 -51.22 6.26 Favored 'General case' 0 N--CA 1.447 -0.602 0 CA-C-N 114.927 -1.033 . . . . 0.0 110.192 178.708 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 13' ' ' ARG . . . . . 0.512 ' O ' ' HB2' ' A' ' 9' ' ' CYS . 68.7 mtm180 -87.83 111.93 21.93 Favored 'General case' 0 C--N 1.311 -1.071 0 CA-C-N 115.945 -0.57 . . . . 0.0 110.348 -178.642 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 21.6 ptmt -79.43 144.24 34.27 Favored 'General case' 0 C--N 1.303 -1.446 0 N-CA-C 109.654 -0.498 . . . . 0.0 109.654 178.509 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 15' ' ' CYS . . . . . 0.507 ' HB2' ' SG ' ' A' ' 9' ' ' CYS . 14.0 t -95.01 165.66 12.33 Favored 'General case' 0 C--N 1.292 -1.913 0 N-CA-C 107.415 -1.328 . . . . 0.0 107.415 175.754 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 81.0 m -90.52 149.77 22.04 Favored 'General case' 0 C--N 1.296 -1.741 0 CA-C-O 121.009 0.433 . . . . 0.0 112.032 -178.171 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -59.89 139.07 57.62 Favored 'General case' 0 C--O 1.242 0.661 0 CA-C-N 115.771 -0.649 . . . . 0.0 110.583 177.941 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 111.97 -15.86 25.78 Favored Glycine 0 C--N 1.303 -1.257 0 N-CA-C 108.369 -1.893 . . . . 0.0 108.369 -172.89 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 19' ' ' MET . . . . . 0.441 ' HG2' ' HA ' ' A' ' 27' ' ' LYS . 65.4 mtt -124.74 162.65 23.78 Favored 'General case' 0 N--CA 1.421 -1.884 0 CA-C-N 113.892 -1.154 . . . . 0.0 108.942 177.538 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 58.7 t -106.61 119.54 56.27 Favored 'Isoleucine or valine' 0 C--N 1.275 -2.646 0 N-CA-C 106.834 -1.543 . . . . 0.0 106.834 176.839 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 38.4 t -77.36 106.66 9.24 Favored 'General case' 0 C--N 1.301 -1.524 0 CA-C-N 115.417 -0.811 . . . . 0.0 110.448 -176.067 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 3.4 mmp_? -136.75 -152.17 0.44 Allowed 'General case' 0 C--O 1.281 2.756 0 N-CA-C 108.48 -0.933 . . . . 0.0 108.48 178.014 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 97.2 mt -58.87 -27.86 65.57 Favored 'General case' 0 CA--C 1.503 -0.844 0 CA-C-N 114.087 -1.415 . . . . 0.0 108.943 178.149 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 24' ' ' TRP . . . . . 0.596 ' HA ' ' HA ' ' A' ' 8' ' ' THR . 28.9 p90 -137.93 167.31 22.02 Favored 'General case' 0 N--CA 1.415 -2.204 0 N-CA-C 107.109 -1.441 . . . . 0.0 107.109 169.748 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 54.7 m -85.57 113.06 21.52 Favored 'General case' 0 C--N 1.3 -1.563 0 C-N-CA 120.055 -0.658 . . . . 0.0 110.014 176.344 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 40.1 ttmt -100.49 118.05 35.91 Favored 'General case' 0 N--CA 1.424 -1.758 0 N-CA-C 108.115 -1.069 . . . . 0.0 108.115 -179.342 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 27' ' ' LYS . . . . . 0.441 ' HA ' ' HG2' ' A' ' 19' ' ' MET . 59.9 pttt -80.77 133.24 35.61 Favored 'General case' 0 C--N 1.293 -1.87 0 C-N-CA 120.298 -0.561 . . . . 0.0 110.112 -179.378 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 57.4 tttp -90.16 86.04 6.43 Favored 'General case' 0 C--N 1.284 -2.255 0 CA-C-O 121.998 0.904 . . . . 0.0 108.599 178.67 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 38.5 tp -96.74 0.17 49.12 Favored 'General case' 0 C--N 1.301 -1.541 0 CA-C-N 114.164 -1.38 . . . . 0.0 107.698 179.362 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 30' ' ' TRP . . . . . . . . . . . . . 15.8 t-105 . . . . . 0 N--CA 1.432 -1.331 0 CA-C-N 114.111 -1.404 . . . . 0.0 107.307 178.983 . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' 1' ' ' TYR . . . . . . . . . . . . . 33.7 t80 . . . . . 0 C--O 1.245 0.824 0 N-CA-C 107.845 -1.169 . . . . 0.0 107.845 . . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' 2' ' ' CYS . . . . . . . . . . . . . 19.9 t -126.12 153.39 44.6 Favored 'General case' 0 C--N 1.301 -1.535 0 N-CA-C 109.306 -0.627 . . . . 0.0 109.306 -176.853 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 3' ' ' GLN . . . . . 0.455 ' HB2' ' HA ' ' A' ' 15' ' ' CYS . 13.1 mm100 -83.68 151.74 25.12 Favored 'General case' 0 C--N 1.309 -1.174 0 CA-C-O 121.015 0.436 . . . . 0.0 110.848 -175.508 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 7.7 mtpm? -92.07 159.15 15.83 Favored 'General case' 0 C--N 1.307 -1.255 0 N-CA-C 108.384 -0.969 . . . . 0.0 108.384 179.18 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 5' ' ' TRP . . . . . . . . . . . . . 18.0 p90 -67.34 -22.38 65.6 Favored 'General case' 0 N--CA 1.483 1.213 0 CA-C-O 121.075 0.464 . . . . 0.0 111.567 -174.906 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 6' ' ' MET . . . . . . . . . . . . . 27.5 ttt -82.25 -16.4 49.67 Favored 'General case' 0 C--N 1.312 -1.036 0 CA-C-O 121.715 0.769 . . . . 0.0 110.21 179.435 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 7' ' ' TRP . . . . . . . . . . . . . 46.6 m0 -86.64 -170.47 3.09 Favored 'General case' 0 C--N 1.299 -1.593 0 CA-C-N 115.594 -0.73 . . . . 0.0 110.175 179.392 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 8' ' ' THR . . . . . 0.627 ' HB ' ' O ' ' A' ' 23' ' ' LEU . 61.6 p -126.46 167.32 15.74 Favored 'General case' 0 C--N 1.297 -1.711 0 N-CA-C 107.811 -1.181 . . . . 0.0 107.811 178.71 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 9' ' ' CYS . . . . . 0.518 ' SG ' ' HB2' ' A' ' 15' ' ' CYS . 26.6 p -137.81 -178.13 5.11 Favored 'General case' 0 N--CA 1.434 -1.261 0 C-N-CA 118.515 -1.274 . . . . 0.0 111.028 176.327 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 19.6 m-20 -141.18 -165.65 2.01 Favored 'General case' 0 C--N 1.307 -1.275 0 N-CA-C 107.13 -1.433 . . . . 0.0 107.13 -178.031 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 15.1 m -75.98 -29.92 58.4 Favored 'General case' 0 N--CA 1.431 -1.403 0 N-CA-C 107.179 -1.415 . . . . 0.0 107.179 168.967 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 36.9 mt-10 -77.5 -71.61 0.4 Allowed 'General case' 0 C--O 1.241 0.613 0 CA-C-N 114.742 -1.117 . . . . 0.0 109.021 178.594 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 13' ' ' ARG . . . . . 0.514 ' O ' ' HB2' ' A' ' 9' ' ' CYS . 67.8 mtm180 -66.69 118.75 10.69 Favored 'General case' 0 CA--C 1.503 -0.83 0 N-CA-C 108.24 -1.022 . . . . 0.0 108.24 177.488 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 7.4 ptpp? -104.86 129.35 53.21 Favored 'General case' 0 C--N 1.295 -1.799 0 CA-C-O 121.312 0.577 . . . . 0.0 111.505 -176.207 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 15' ' ' CYS . . . . . 0.518 ' HB2' ' SG ' ' A' ' 9' ' ' CYS . 5.2 t -86.29 160.7 19.06 Favored 'General case' 0 C--N 1.304 -1.403 0 CA-C-N 115.399 -0.819 . . . . 0.0 108.937 -177.497 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 16' ' ' CYS . . . . . 0.417 ' O ' ' HB2' ' A' ' 19' ' ' MET . 72.2 m -68.36 149.85 48.89 Favored 'General case' 0 C--N 1.307 -1.247 0 N-CA-C 113.387 0.884 . . . . 0.0 113.387 -174.151 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 55.1 mttp -72.55 135.46 45.61 Favored 'General case' 0 N--CA 1.429 -1.504 0 N-CA-C 107.401 -1.333 . . . . 0.0 107.401 173.624 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 103.05 2.05 48.58 Favored Glycine 0 C--N 1.287 -2.151 0 N-CA-C 107.93 -2.068 . . . . 0.0 107.93 -168.408 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 19' ' ' MET . . . . . 0.417 ' HB2' ' O ' ' A' ' 16' ' ' CYS . 62.7 mtt -136.07 163.51 30.15 Favored 'General case' 0 N--CA 1.432 -1.375 0 N-CA-C 106.932 -1.507 . . . . 0.0 106.932 175.281 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 59.4 t -105.92 123.83 60.73 Favored 'Isoleucine or valine' 0 C--N 1.284 -2.274 0 N-CA-C 107.099 -1.445 . . . . 0.0 107.099 178.422 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 19.0 t -91.4 115.28 27.9 Favored 'General case' 0 N--CA 1.425 -1.679 0 CA-C-N 115.821 -0.627 . . . . 0.0 109.323 -177.356 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 22' ' ' ARG . . . . . 0.562 ' HA ' ' NE ' ' A' ' 22' ' ' ARG . 1.8 mmp_? -143.52 -159.36 0.97 Allowed 'General case' 0 C--O 1.263 1.768 0 N-CA-C 108.035 -1.098 . . . . 0.0 108.035 177.956 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 23' ' ' LEU . . . . . 0.627 ' O ' ' HB ' ' A' ' 8' ' ' THR . 50.8 mt -54.33 -29.4 47.83 Favored 'General case' 0 C--O 1.219 -0.527 0 CA-C-N 115.242 -0.89 . . . . 0.0 109.83 175.275 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 24' ' ' TRP . . . . . 0.522 ' HA ' ' HA ' ' A' ' 8' ' ' THR . 24.5 p90 -133.02 160.9 35.82 Favored 'General case' 0 N--CA 1.423 -1.791 0 N-CA-C 107.115 -1.439 . . . . 0.0 107.115 174.122 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 66.6 m -86.51 141.75 28.84 Favored 'General case' 0 C--N 1.311 -1.078 0 C-N-CA 120.573 -0.451 . . . . 0.0 110.028 175.978 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 39.3 ttpt -135.41 144.0 46.28 Favored 'General case' 0 C--N 1.298 -1.644 0 N-CA-C 107.848 -1.167 . . . . 0.0 107.848 -178.174 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 23.8 pttm -69.92 163.4 26.07 Favored 'General case' 0 C--O 1.245 0.859 0 CA-C-O 121.261 0.553 . . . . 0.0 111.339 -179.596 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 26.4 tptp -157.31 152.79 26.45 Favored 'General case' 0 N--CA 1.425 -1.683 0 N-CA-C 105.415 -2.068 . . . . 0.0 105.415 176.05 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 3.2 mm? -105.02 -71.02 0.75 Allowed 'General case' 0 C--N 1.292 -1.92 0 N-CA-C 107.354 -1.35 . . . . 0.0 107.354 175.4 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 30' ' ' TRP . . . . . . . . . . . . . 87.5 m95 . . . . . 0 C--N 1.296 -1.747 0 N-CA-C 105.532 -2.025 . . . . 0.0 105.532 174.172 . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' 1' ' ' TYR . . . . . . . . . . . . . 75.7 m-85 . . . . . 0 CA--C 1.518 -0.261 0 N-CA-C 109.043 -0.725 . . . . 0.0 109.043 . . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' 2' ' ' CYS . . . . . . . . . . . . . 54.0 t -133.96 158.02 44.57 Favored 'General case' 0 N--CA 1.434 -1.256 0 N-CA-C 108.933 -0.766 . . . . 0.0 108.933 -177.164 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 3' ' ' GLN . . . . . 0.54 ' HB2' ' HA ' ' A' ' 15' ' ' CYS . 15.2 mm100 -96.2 129.05 43.6 Favored 'General case' 0 C--N 1.304 -1.382 0 CA-C-O 121.24 0.543 . . . . 0.0 112.231 -177.225 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 66.0 mttm -87.44 171.67 10.38 Favored 'General case' 0 C--N 1.312 -1.049 0 CA-C-N 115.407 -0.815 . . . . 0.0 110.335 -178.71 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 5' ' ' TRP . . . . . . . . . . . . . 39.0 p90 -58.28 -29.39 65.78 Favored 'General case' 0 N--CA 1.477 0.889 0 C-N-CA 124.938 1.295 . . . . 0.0 111.019 -179.019 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 6' ' ' MET . . . . . 0.419 ' HG3' ' CD1' ' A' ' 7' ' ' TRP . 24.8 ptm -84.69 -8.0 59.02 Favored 'General case' 0 C--N 1.31 -1.124 0 CA-C-N 115.104 -0.953 . . . . 0.0 111.78 -177.157 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 7' ' ' TRP . . . . . 0.419 ' CD1' ' HG3' ' A' ' 6' ' ' MET . 47.7 m0 -110.08 -174.94 2.61 Favored 'General case' 0 C--N 1.31 -1.144 0 N-CA-C 109.606 -0.516 . . . . 0.0 109.606 -178.417 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 8' ' ' THR . . . . . 0.558 ' HA ' ' HA ' ' A' ' 24' ' ' TRP . 82.4 p -120.92 169.39 10.5 Favored 'General case' 0 C--N 1.295 -1.802 0 N-CA-C 108.319 -0.993 . . . . 0.0 108.319 -178.922 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 9' ' ' CYS . . . . . 0.665 ' HB2' ' O ' ' A' ' 13' ' ' ARG . 16.1 p -134.62 169.87 16.66 Favored 'General case' 0 N--CA 1.439 -1.001 0 C-N-CA 118.049 -1.46 . . . . 0.0 111.498 178.001 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 42.7 m-20 -141.97 -166.36 2.21 Favored 'General case' 0 C--N 1.313 -0.981 0 N-CA-C 105.835 -1.913 . . . . 0.0 105.835 -179.892 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 43.5 m -70.52 -23.01 62.56 Favored 'General case' 0 C--N 1.312 -1.044 0 CA-C-O 121.574 0.702 . . . . 0.0 109.555 174.518 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 26.7 mt-10 -84.95 -70.22 0.6 Allowed 'General case' 0 C--N 1.319 -0.735 0 CA-C-N 115.183 -0.917 . . . . 0.0 109.762 179.469 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 13' ' ' ARG . . . . . 0.665 ' O ' ' HB2' ' A' ' 9' ' ' CYS . 64.8 mtm180 -75.74 114.19 14.06 Favored 'General case' 0 C--O 1.202 -1.44 0 N-CA-C 108.132 -1.062 . . . . 0.0 108.132 178.62 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 21.5 ptmt -106.71 141.79 37.41 Favored 'General case' 0 C--N 1.305 -1.344 0 CA-C-N 118.905 0.775 . . . . 0.0 112.222 178.001 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 15' ' ' CYS . . . . . 0.568 ' SG ' ' HA ' ' A' ' 21' ' ' CYS . 59.2 m -65.94 150.65 48.29 Favored 'General case' 0 C--O 1.243 0.751 0 C-N-CA 122.817 0.447 . . . . 0.0 110.67 179.111 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 93.9 m -64.62 167.33 7.38 Favored 'General case' 0 C--N 1.309 -1.167 0 N-CA-C 112.732 0.642 . . . . 0.0 112.732 -179.797 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 12.6 mptt -70.26 131.24 43.89 Favored 'General case' 0 N--CA 1.435 -1.181 0 CA-C-O 121.359 0.6 . . . . 0.0 110.851 -177.448 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 100.14 6.29 53.84 Favored Glycine 0 N--CA 1.431 -1.659 0 N-CA-C 109.664 -1.374 . . . . 0.0 109.664 -175.948 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 19' ' ' MET . . . . . . . . . . . . . 63.9 mtt -123.64 159.45 29.29 Favored 'General case' 0 N--CA 1.429 -1.512 0 N-CA-C 109.576 -0.528 . . . . 0.0 109.576 179.027 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 59.6 t -105.81 126.76 61.17 Favored 'Isoleucine or valine' 0 C--N 1.289 -2.024 0 N-CA-C 107.053 -1.462 . . . . 0.0 107.053 179.863 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 21' ' ' CYS . . . . . 0.568 ' HA ' ' SG ' ' A' ' 15' ' ' CYS . 11.2 t -90.99 125.46 35.8 Favored 'General case' 0 C--N 1.305 -1.33 0 N-CA-C 109.269 -0.641 . . . . 0.0 109.269 -176.084 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 22' ' ' ARG . . . . . 0.677 ' HG2' ' H ' ' A' ' 23' ' ' LEU . 44.7 ttt180 -161.76 -163.47 0.97 Allowed 'General case' 0 N--CA 1.425 -1.69 0 N-CA-C 106.237 -1.764 . . . . 0.0 106.237 179.137 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 23' ' ' LEU . . . . . 0.677 ' H ' ' HG2' ' A' ' 22' ' ' ARG . 2.9 mm? -50.77 -21.89 1.86 Allowed 'General case' 0 N--CA 1.475 0.8 0 C-N-CA 123.878 0.871 . . . . 0.0 111.772 177.555 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 24' ' ' TRP . . . . . 0.558 ' HA ' ' HA ' ' A' ' 8' ' ' THR . 19.7 p90 -144.52 158.75 43.61 Favored 'General case' 0 N--CA 1.425 -1.683 0 N-CA-C 107.238 -1.393 . . . . 0.0 107.238 172.498 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 85.2 m -86.68 138.12 31.91 Favored 'General case' 0 C--N 1.315 -0.912 0 CA-C-O 121.226 0.536 . . . . 0.0 110.487 178.421 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 39.5 ttmt -132.84 141.14 48.28 Favored 'General case' 0 C--N 1.294 -1.842 0 N-CA-C 108.109 -1.071 . . . . 0.0 108.109 -178.157 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 97.6 mttt -81.78 153.45 26.47 Favored 'General case' 0 C--N 1.309 -1.178 0 N-CA-C 108.87 -0.789 . . . . 0.0 108.87 176.394 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 22.1 pttp -78.14 137.07 37.99 Favored 'General case' 0 N--CA 1.43 -1.462 0 N-CA-C 108.321 -0.992 . . . . 0.0 108.321 173.902 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 8.0 tt -67.33 -41.62 84.95 Favored 'General case' 0 C--N 1.31 -1.13 0 N-CA-C 110.093 -0.336 . . . . 0.0 110.093 -178.592 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 30' ' ' TRP . . . . . . . . . . . . . 65.4 t-105 . . . . . 0 C--N 1.299 -1.592 0 N-CA-C 109.162 -0.681 . . . . 0.0 109.162 -178.514 . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' 1' ' ' TYR . . . . . . . . . . . . . 51.9 t80 . . . . . 0 N--CA 1.465 0.291 0 N-CA-C 109.357 -0.609 . . . . 0.0 109.357 . . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' 2' ' ' CYS . . . . . . . . . . . . . 17.8 t -88.28 150.28 23.34 Favored 'General case' 0 N--CA 1.438 -1.04 0 N-CA-C 106.367 -1.716 . . . . 0.0 106.367 176.288 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 3' ' ' GLN . . . . . 0.439 ' HB2' ' HA ' ' A' ' 15' ' ' CYS . 11.0 mm100 -93.28 139.99 30.03 Favored 'General case' 0 C--N 1.288 -2.076 0 C-N-CA 119.945 -0.702 . . . . 0.0 111.949 -174.546 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 94.1 mttt -94.22 169.38 10.29 Favored 'General case' 0 C--N 1.314 -0.956 0 CA-C-N 115.153 -0.931 . . . . 0.0 109.137 178.907 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 5' ' ' TRP . . . . . . . . . . . . . 46.7 p90 -61.56 -26.67 68.1 Favored 'General case' 0 N--CA 1.477 0.877 0 C-N-CA 123.961 0.905 . . . . 0.0 112.619 -175.992 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 6' ' ' MET . . . . . . . . . . . . . 27.6 ttt -85.59 -11.63 53.51 Favored 'General case' 0 C--N 1.31 -1.148 0 CA-C-O 121.968 0.889 . . . . 0.0 110.249 -178.859 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 7' ' ' TRP . . . . . . . . . . . . . 35.8 m0 -98.71 -176.78 3.45 Favored 'General case' 0 C--N 1.293 -1.884 0 CA-C-N 114.999 -1.001 . . . . 0.0 109.516 -177.767 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 8' ' ' THR . . . . . 0.566 ' HA ' ' HA ' ' A' ' 24' ' ' TRP . 82.4 p -125.97 164.57 20.51 Favored 'General case' 0 C--N 1.304 -1.392 0 N-CA-C 108.295 -1.002 . . . . 0.0 108.295 179.294 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 9' ' ' CYS . . . . . 0.598 ' SG ' ' HB2' ' A' ' 15' ' ' CYS . 30.2 p -136.8 161.99 34.46 Favored 'General case' 0 N--CA 1.444 -0.763 0 C-N-CA 117.767 -1.573 . . . . 0.0 111.012 177.204 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 26.3 m-20 -150.27 -144.18 0.15 Allowed 'General case' 0 C--N 1.32 -0.708 0 N-CA-C 107.71 -1.219 . . . . 0.0 107.71 -179.448 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 15.9 t -75.0 -45.36 42.45 Favored 'General case' 0 CA--C 1.548 0.891 0 CA-C-N 118.184 0.447 . . . . 0.0 111.706 -175.959 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 23.5 mm-40 -82.23 -42.35 19.04 Favored 'General case' 0 C--N 1.322 -0.587 0 CA-C-O 121.401 0.62 . . . . 0.0 111.598 -176.409 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 13' ' ' ARG . . . . . 0.458 ' HA ' ' HE ' ' A' ' 13' ' ' ARG . 2.9 mmp_? -93.99 111.96 23.73 Favored 'General case' 0 C--N 1.297 -1.706 0 N-CA-C 108.537 -0.912 . . . . 0.0 108.537 176.442 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 28.1 mtpp -101.19 140.32 35.65 Favored 'General case' 0 C--N 1.286 -2.184 0 N-CA-C 109.046 -0.724 . . . . 0.0 109.046 -178.7 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 15' ' ' CYS . . . . . 0.598 ' HB2' ' SG ' ' A' ' 9' ' ' CYS . 8.4 t -84.61 162.38 19.78 Favored 'General case' 0 C--N 1.296 -1.748 0 CA-C-N 115.961 -0.563 . . . . 0.0 109.697 -177.031 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 80.2 m -77.98 145.71 35.85 Favored 'General case' 0 C--N 1.297 -1.694 0 CA-C-O 121.258 0.552 . . . . 0.0 111.55 -176.916 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -66.31 140.29 58.1 Favored 'General case' 0 C--N 1.323 -0.543 0 CA-C-N 115.927 -0.578 . . . . 0.0 110.322 177.689 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 112.08 -20.76 21.25 Favored Glycine 0 C--N 1.306 -1.124 0 N-CA-C 108.379 -1.888 . . . . 0.0 108.379 -171.928 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 19' ' ' MET . . . . . . . . . . . . . 63.1 mtt -114.3 173.45 6.44 Favored 'General case' 0 N--CA 1.438 -1.04 0 N-CA-C 107.607 -1.257 . . . . 0.0 107.607 175.953 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 61.1 t -106.41 127.23 61.9 Favored 'Isoleucine or valine' 0 C--N 1.282 -2.333 0 N-CA-C 106.722 -1.584 . . . . 0.0 106.722 175.082 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 25.7 t -83.2 107.58 15.85 Favored 'General case' 0 N--CA 1.425 -1.713 0 N-CA-C 107.353 -1.351 . . . . 0.0 107.353 179.009 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 22' ' ' ARG . . . . . 0.587 ' HG3' ' H ' ' A' ' 23' ' ' LEU . 13.8 tpp180 -139.08 -168.0 2.34 Favored 'General case' 0 C--O 1.273 2.298 0 N-CA-C 107.011 -1.477 . . . . 0.0 107.011 -174.053 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 23' ' ' LEU . . . . . 0.587 ' H ' ' HG3' ' A' ' 22' ' ' ARG . 70.0 mt -48.04 -28.96 3.12 Favored 'General case' 0 N--CA 1.47 0.535 0 C-N-CA 125.043 1.337 . . . . 0.0 110.503 176.234 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 24' ' ' TRP . . . . . 0.566 ' HA ' ' HA ' ' A' ' 8' ' ' THR . 32.0 p90 -141.31 163.9 31.7 Favored 'General case' 0 N--CA 1.415 -2.188 0 N-CA-C 105.432 -2.062 . . . . 0.0 105.432 173.206 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 53.2 m -80.84 128.64 33.89 Favored 'General case' 0 C--N 1.303 -1.419 0 CA-C-N 118.748 0.704 . . . . 0.0 110.693 176.162 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 87.0 tttt -130.86 122.05 26.36 Favored 'General case' 0 C--N 1.289 -2.041 0 CA-C-N 115.505 -0.771 . . . . 0.0 109.087 -174.913 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 27.7 mtpp -64.05 141.88 58.61 Favored 'General case' 0 C--N 1.312 -1.041 0 CA-C-O 121.038 0.447 . . . . 0.0 110.338 179.388 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 23.3 ttpp -104.14 104.94 14.94 Favored 'General case' 0 C--N 1.289 -2.043 0 N-CA-C 108.237 -1.023 . . . . 0.0 108.237 -177.694 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 3.1 mm? -89.29 -23.23 22.35 Favored 'General case' 0 C--N 1.299 -1.61 0 CA-C-O 121.279 0.562 . . . . 0.0 109.681 -179.856 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 30' ' ' TRP . . . . . . . . . . . . . 52.7 t90 . . . . . 0 N--CA 1.43 -1.468 0 N-CA-C 105.73 -1.952 . . . . 0.0 105.73 175.042 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 3' ' ' GLN . . . . . 0.548 ' HB2' ' HA ' ' A' ' 15' ' ' CYS . 13.5 mm100 . . . . . 0 N--CA 1.434 -1.23 0 CA-C-O 121.579 0.704 . . . . 0.0 111.196 . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 59.3 mtpt -77.05 173.69 11.51 Favored 'General case' 0 C--N 1.317 -0.833 0 CA-C-N 113.934 -1.484 . . . . 0.0 111.437 -176.565 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 5' ' ' TRP . . . . . . . . . . . . . 12.5 p-90 -61.25 -31.82 71.62 Favored 'General case' 0 N--CA 1.478 0.949 0 N-CA-C 111.974 0.361 . . . . 0.0 111.974 -175.529 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 6' ' ' MET . . . . . . . . . . . . . 22.9 ptp -93.02 8.38 40.18 Favored 'General case' 0 N--CA 1.442 -0.841 0 CA-C-O 121.566 0.698 . . . . 0.0 110.683 -178.386 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 7' ' ' TRP . . . . . . . . . . . . . 38.2 m0 -107.22 -178.37 3.62 Favored 'General case' 0 C--O 1.255 1.37 0 N-CA-C 108.764 -0.828 . . . . 0.0 108.764 179.508 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 8' ' ' THR . . . . . 0.522 ' HA ' ' HA ' ' A' ' 24' ' ' TRP . 66.4 p -130.29 165.1 23.17 Favored 'General case' 0 C--N 1.305 -1.36 0 N-CA-C 108.182 -1.044 . . . . 0.0 108.182 -178.924 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 9' ' ' CYS . . . . . 0.677 ' HB2' ' O ' ' A' ' 13' ' ' ARG . 25.2 p -123.57 -179.67 4.44 Favored 'General case' 0 C--O 1.248 1.002 0 C-N-CA 116.897 -1.921 . . . . 0.0 111.827 176.927 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 10' ' ' ASP . . . . . 0.436 ' CG ' ' H ' ' A' ' 11' ' ' SER . 31.7 t70 -150.37 -167.01 2.7 Favored 'General case' 0 C--N 1.317 -0.808 0 N-CA-C 106.579 -1.638 . . . . 0.0 106.579 -175.779 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 11' ' ' SER . . . . . 0.436 ' H ' ' CG ' ' A' ' 10' ' ' ASP . 14.3 m -72.87 -28.94 62.81 Favored 'General case' 0 C--N 1.307 -1.269 0 N-CA-C 108.823 -0.806 . . . . 0.0 108.823 178.17 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 35.7 mt-10 -93.29 -53.82 3.94 Favored 'General case' 0 N--CA 1.447 -0.621 0 CA-C-N 115.714 -0.675 . . . . 0.0 109.983 177.851 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 13' ' ' ARG . . . . . 0.677 ' O ' ' HB2' ' A' ' 9' ' ' CYS . 55.0 mtm180 -71.26 118.47 14.09 Favored 'General case' 0 C--O 1.217 -0.655 0 CA-C-N 116.126 -0.488 . . . . 0.0 109.879 -179.629 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 99.7 mttt -105.23 143.09 33.89 Favored 'General case' 0 C--N 1.314 -0.966 0 CA-C-N 117.593 0.179 . . . . 0.0 110.806 178.485 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 15' ' ' CYS . . . . . 0.548 ' HA ' ' HB2' ' A' ' 3' ' ' GLN . 82.5 m -75.75 151.35 37.62 Favored 'General case' 0 C--N 1.317 -0.821 0 N-CA-C 109.488 -0.56 . . . . 0.0 109.488 175.98 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 55.3 m -61.81 142.95 57.0 Favored 'General case' 0 C--N 1.309 -1.195 0 N-CA-C 109.701 -0.481 . . . . 0.0 109.701 177.982 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 97.1 mttt -58.76 136.04 57.63 Favored 'General case' 0 C--O 1.241 0.624 0 C-N-CA 122.961 0.504 . . . . 0.0 110.634 -178.47 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 111.94 -16.35 25.58 Favored Glycine 0 C--N 1.305 -1.194 0 N-CA-C 108.83 -1.708 . . . . 0.0 108.83 -174.495 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 19' ' ' MET . . . . . 0.578 ' HG2' ' HA ' ' A' ' 27' ' ' LYS . 71.0 mtm -122.12 161.07 23.78 Favored 'General case' 0 N--CA 1.432 -1.346 0 N-CA-C 107.245 -1.391 . . . . 0.0 107.245 174.999 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 26.9 m -106.86 144.28 16.16 Favored 'Isoleucine or valine' 0 C--N 1.292 -1.933 0 N-CA-C 110.098 -0.334 . . . . 0.0 110.098 -179.678 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 29.8 t -79.92 126.79 31.46 Favored 'General case' 0 C--N 1.306 -1.318 0 N-CA-C 108.952 -0.759 . . . . 0.0 108.952 179.935 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 22' ' ' ARG . . . . . 0.404 ' N ' ' SG ' ' A' ' 9' ' ' CYS . 10.5 tpp180 -159.05 -174.53 4.78 Favored 'General case' 0 C--O 1.278 2.593 0 N-CA-C 106.517 -1.66 . . . . 0.0 106.517 -176.747 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 23' ' ' LEU . . . . . 0.412 ' O ' ' HB ' ' A' ' 8' ' ' THR . 96.0 mt -45.79 -32.88 2.77 Favored 'General case' 0 N--CA 1.471 0.587 0 C-N-CA 123.68 0.792 . . . . 0.0 110.553 174.878 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 24' ' ' TRP . . . . . 0.522 ' HA ' ' HA ' ' A' ' 8' ' ' THR . 12.9 p90 -137.73 161.9 35.32 Favored 'General case' 0 N--CA 1.42 -1.974 0 N-CA-C 105.997 -1.853 . . . . 0.0 105.997 173.343 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 77.8 m -80.49 120.35 24.36 Favored 'General case' 0 C--N 1.307 -1.282 0 CA-C-N 118.514 0.597 . . . . 0.0 110.553 178.945 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 29.1 ttpp -119.59 133.39 55.68 Favored 'General case' 0 C--N 1.306 -1.292 0 CA-C-N 115.958 -0.564 . . . . 0.0 110.158 -175.001 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 27' ' ' LYS . . . . . 0.578 ' HA ' ' HG2' ' A' ' 19' ' ' MET . 60.7 pttt . . . . . 0 C--O 1.242 0.668 0 CA-C-O 121.172 0.51 . . . . 0.0 111.266 177.95 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 3' ' ' GLN . . . . . 0.582 ' HB2' ' HA ' ' A' ' 15' ' ' CYS . 12.2 mm100 . . . . . 0 N--CA 1.435 -1.201 0 CA-C-O 121.115 0.483 . . . . 0.0 111.582 . . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 14.0 mmmm -88.79 170.46 10.74 Favored 'General case' 0 C--N 1.303 -1.422 0 CA-C-N 114.774 -1.103 . . . . 0.0 109.23 179.312 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 5' ' ' TRP . . . . . . . . . . . . . 11.4 p-90 -72.86 -11.79 60.73 Favored 'General case' 0 C--N 1.318 -0.764 0 CA-C-O 121.363 0.601 . . . . 0.0 110.254 -177.417 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 6' ' ' MET . . . . . 0.51 ' HG3' ' CD1' ' A' ' 7' ' ' TRP . 26.6 ptm -88.08 -5.9 58.21 Favored 'General case' 0 C--N 1.31 -1.114 0 CA-C-N 115.641 -0.709 . . . . 0.0 110.031 179.039 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 7' ' ' TRP . . . . . 0.51 ' CD1' ' HG3' ' A' ' 6' ' ' MET . 36.9 m0 -116.96 -174.28 2.55 Favored 'General case' 0 C--O 1.241 0.637 0 CA-C-O 121.251 0.548 . . . . 0.0 109.932 -178.77 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 8' ' ' THR . . . . . 0.616 ' HB ' ' O ' ' A' ' 23' ' ' LEU . 70.1 p -122.66 161.63 23.47 Favored 'General case' 0 C--N 1.298 -1.652 0 N-CA-C 107.66 -1.237 . . . . 0.0 107.66 -179.83 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 9.4 p -121.56 140.2 52.53 Favored 'General case' 0 CA--C 1.499 -0.992 0 C-N-CA 117.326 -1.75 . . . . 0.0 112.077 176.125 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 10' ' ' ASP . . . . . 0.56 ' H ' ' HB2' ' A' ' 13' ' ' ARG . 4.6 m-20 -94.25 -170.58 2.32 Favored 'General case' 0 C--N 1.294 -1.821 0 N-CA-C 107.166 -1.42 . . . . 0.0 107.166 176.307 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 8.0 m -64.67 -45.21 87.67 Favored 'General case' 0 C--N 1.307 -1.275 0 CA-C-O 120.956 0.408 . . . . 0.0 111.29 -175.932 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 38.6 mm-40 -92.33 -1.42 57.07 Favored 'General case' 0 C--N 1.322 -0.614 0 N-CA-C 111.997 0.369 . . . . 0.0 111.997 -178.803 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 13' ' ' ARG . . . . . 0.56 ' HB2' ' H ' ' A' ' 10' ' ' ASP . 6.7 mmp_? -85.53 117.7 24.59 Favored 'General case' 0 CA--C 1.493 -1.22 0 C-N-CA 119.557 -0.857 . . . . 0.0 109.806 177.16 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 59.4 mtpt -91.05 110.3 21.56 Favored 'General case' 0 C--N 1.277 -2.584 0 CA-C-N 114.967 -1.015 . . . . 0.0 109.214 -179.738 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 15' ' ' CYS . . . . . 0.582 ' HA ' ' HB2' ' A' ' 3' ' ' GLN . 18.1 t -79.5 152.39 30.23 Favored 'General case' 0 C--N 1.3 -1.575 0 CA-C-N 114.818 -1.083 . . . . 0.0 108.273 -179.331 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 80.5 m -62.46 147.12 49.73 Favored 'General case' 0 C--N 1.311 -1.068 0 N-CA-C 113.269 0.841 . . . . 0.0 113.269 -174.805 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 85.9 tttt -68.14 128.69 37.48 Favored 'General case' 0 N--CA 1.442 -0.85 0 CA-C-N 115.574 -0.739 . . . . 0.0 110.846 -175.806 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 112.65 -16.47 23.79 Favored Glycine 0 C--N 1.302 -1.357 0 N-CA-C 109.501 -1.44 . . . . 0.0 109.501 -175.193 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 19' ' ' MET . . . . . 0.402 ' HG2' ' HA ' ' A' ' 27' ' ' LYS . 65.2 mtt -103.82 159.72 15.4 Favored 'General case' 0 C--N 1.31 -1.15 0 N-CA-C 107.862 -1.162 . . . . 0.0 107.862 176.828 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 90.8 t -105.84 122.2 59.1 Favored 'Isoleucine or valine' 0 C--N 1.283 -2.315 0 N-CA-C 107.866 -1.161 . . . . 0.0 107.866 177.658 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 28.0 t -77.26 131.31 38.11 Favored 'General case' 0 N--CA 1.425 -1.686 0 N-CA-C 108.56 -0.904 . . . . 0.0 108.56 -179.222 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 22' ' ' ARG . . . . . 0.586 ' HA ' ' HE ' ' A' ' 22' ' ' ARG . 2.1 tpm_? -159.69 -170.79 3.03 Favored 'General case' 0 N--CA 1.415 -2.22 0 N-CA-C 104.775 -2.306 . . . . 0.0 104.775 -177.757 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 23' ' ' LEU . . . . . 0.616 ' O ' ' HB ' ' A' ' 8' ' ' THR . 93.9 mt -51.05 -24.1 3.59 Favored 'General case' 0 N--CA 1.471 0.594 0 C-N-CA 123.219 0.608 . . . . 0.0 110.454 174.374 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 24' ' ' TRP . . . . . 0.513 ' HA ' ' HA ' ' A' ' 8' ' ' THR . 16.5 p90 -135.62 159.14 42.53 Favored 'General case' 0 N--CA 1.425 -1.715 0 N-CA-C 106.512 -1.662 . . . . 0.0 106.512 173.074 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 32.7 m -86.14 129.88 34.7 Favored 'General case' 0 C--N 1.31 -1.142 0 CA-C-N 118.821 0.737 . . . . 0.0 110.37 174.66 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 63.5 tttp -113.81 123.4 49.74 Favored 'General case' 0 C--N 1.298 -1.638 0 N-CA-C 108.105 -1.072 . . . . 0.0 108.105 -176.907 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 27' ' ' LYS . . . . . 0.402 ' HA ' ' HG2' ' A' ' 19' ' ' MET . 23.9 pttm . . . . . 0 C--O 1.25 1.127 0 N-CA-C 108.969 -0.752 . . . . 0.0 108.969 -177.797 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 3' ' ' GLN . . . . . 0.502 ' HG2' ' O ' ' A' ' 14' ' ' LYS . 10.3 mm100 . . . . . 0 N--CA 1.434 -1.226 0 N-CA-C 109.195 -0.669 . . . . 0.0 109.195 . . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 63.6 mttm -83.14 177.18 8.69 Favored 'General case' 0 C--N 1.31 -1.133 0 CA-C-N 115.459 -0.791 . . . . 0.0 109.805 -178.753 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 5' ' ' TRP . . . . . . . . . . . . . 44.3 p90 -65.61 -25.89 67.59 Favored 'General case' 0 C--N 1.323 -0.578 0 N-CA-C 112.573 0.583 . . . . 0.0 112.573 -174.966 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 6' ' ' MET . . . . . . . . . . . . . 56.3 ttp -90.21 -4.03 57.47 Favored 'General case' 0 C--N 1.316 -0.865 0 CA-C-O 122.646 1.212 . . . . 0.0 109.71 179.505 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 7' ' ' TRP . . . . . . . . . . . . . 13.7 m0 -96.08 -176.81 3.8 Favored 'General case' 0 C--N 1.292 -1.916 0 CA-C-N 114.539 -1.21 . . . . 0.0 109.077 -178.697 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 8' ' ' THR . . . . . 0.619 ' HA ' ' HA ' ' A' ' 24' ' ' TRP . 38.3 p -132.11 154.65 49.26 Favored 'General case' 0 C--N 1.298 -1.672 0 N-CA-C 108.18 -1.045 . . . . 0.0 108.18 -178.219 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 9' ' ' CYS . . . . . 0.433 ' HB2' ' O ' ' A' ' 13' ' ' ARG . 26.6 p -128.18 176.75 7.42 Favored 'General case' 0 C--O 1.249 1.073 0 C-N-CA 117.319 -1.752 . . . . 0.0 112.494 -179.76 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 14.1 m-20 -148.52 -166.98 2.69 Favored 'General case' 0 C--N 1.309 -1.164 0 N-CA-C 106.815 -1.55 . . . . 0.0 106.815 -177.762 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 12.6 t -74.85 -36.84 62.33 Favored 'General case' 0 N--CA 1.426 -1.672 0 N-CA-C 107.414 -1.328 . . . . 0.0 107.414 174.587 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 46.1 mt-10 -73.93 -57.01 4.26 Favored 'General case' 0 N--CA 1.451 -0.4 0 CA-C-N 115.825 -0.625 . . . . 0.0 111.019 177.53 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 13' ' ' ARG . . . . . 0.433 ' O ' ' HB2' ' A' ' 9' ' ' CYS . 70.9 mtm180 -76.47 112.0 12.53 Favored 'General case' 0 C--N 1.324 -0.531 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.178 -178.903 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 14' ' ' LYS . . . . . 0.502 ' O ' ' HG2' ' A' ' 3' ' ' GLN . 75.1 mmtt -87.05 141.32 28.75 Favored 'General case' 0 CA--C 1.492 -1.262 0 CA-C-O 121.219 0.533 . . . . 0.0 110.659 -177.03 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 22.5 t -94.05 160.05 14.89 Favored 'General case' 0 C--N 1.27 -2.854 0 CA-C-N 115.188 -0.915 . . . . 0.0 109.133 -176.747 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 16' ' ' CYS . . . . . 0.438 ' HB2' ' SD ' ' A' ' 19' ' ' MET . 79.1 m -70.75 153.98 42.27 Favored 'General case' 0 C--O 1.254 1.312 0 CA-C-O 121.561 0.696 . . . . 0.0 112.178 -177.635 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 27.2 ttpp -66.83 137.59 56.71 Favored 'General case' 0 C--O 1.247 0.937 0 N-CA-C 108.688 -0.856 . . . . 0.0 108.688 177.445 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 95.98 5.87 59.45 Favored Glycine 0 N--CA 1.432 -1.623 0 N-CA-C 109.88 -1.288 . . . . 0.0 109.88 -176.26 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 19' ' ' MET . . . . . 0.438 ' SD ' ' HB2' ' A' ' 16' ' ' CYS . 52.6 mtt -125.35 160.7 28.71 Favored 'General case' 0 N--CA 1.432 -1.372 0 N-CA-C 109.624 -0.51 . . . . 0.0 109.624 176.323 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 20' ' ' VAL . . . . . 0.492 ' HB ' ' HB3' ' A' ' 26' ' ' LYS . 77.0 t -106.91 125.8 62.92 Favored 'Isoleucine or valine' 0 C--N 1.278 -2.521 0 N-CA-C 106.684 -1.599 . . . . 0.0 106.684 178.78 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 18.8 t -81.59 131.97 35.29 Favored 'General case' 0 C--N 1.304 -1.406 0 C-N-CA 120.519 -0.472 . . . . 0.0 109.737 -177.414 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 22' ' ' ARG . . . . . 0.481 ' HG3' ' H ' ' A' ' 23' ' ' LEU . 16.2 tpp180 -158.18 -169.84 2.93 Favored 'General case' 0 C--O 1.278 2.558 0 N-CA-C 105.377 -2.083 . . . . 0.0 105.377 -177.523 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 23' ' ' LEU . . . . . 0.55 ' O ' ' HB ' ' A' ' 8' ' ' THR . 92.3 mt -52.01 -29.39 20.67 Favored 'General case' 0 N--CA 1.471 0.594 0 CA-C-O 121.052 0.454 . . . . 0.0 110.134 174.817 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 24' ' ' TRP . . . . . 0.619 ' HA ' ' HA ' ' A' ' 8' ' ' THR . 27.3 p90 -130.88 167.84 18.28 Favored 'General case' 0 N--CA 1.427 -1.588 0 N-CA-C 106.106 -1.813 . . . . 0.0 106.106 173.252 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 34.3 m -86.88 127.81 35.05 Favored 'General case' 0 C--N 1.3 -1.544 0 C-N-CA 119.159 -1.017 . . . . 0.0 111.438 176.025 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 26' ' ' LYS . . . . . 0.492 ' HB3' ' HB ' ' A' ' 20' ' ' VAL . 84.9 tttt -109.19 151.41 26.52 Favored 'General case' 0 C--N 1.294 -1.834 0 N-CA-C 107.098 -1.445 . . . . 0.0 107.098 -178.292 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 92.4 mttt . . . . . 0 C--N 1.29 -2.005 0 N-CA-C 109.578 -0.527 . . . . 0.0 109.578 179.893 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 3' ' ' GLN . . . . . 0.581 ' N ' ' HG ' ' A' ' 16' ' ' CYS . 13.5 mm100 . . . . . 0 N--CA 1.428 -1.567 0 CA-C-O 121.099 0.476 . . . . 0.0 111.515 . . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 94.3 mttt -94.36 168.8 10.66 Favored 'General case' 0 C--N 1.307 -1.25 0 CA-C-N 114.882 -1.054 . . . . 0.0 108.388 179.254 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 5' ' ' TRP . . . . . . . . . . . . . 29.7 p-90 -62.57 -24.06 67.34 Favored 'General case' 0 N--CA 1.484 1.234 0 CA-C-O 121.834 0.826 . . . . 0.0 109.78 179.318 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 6' ' ' MET . . . . . . . . . . . . . 49.1 ttm -78.74 -24.66 44.68 Favored 'General case' 0 N--CA 1.425 -1.717 0 CA-C-N 114.22 -1.355 . . . . 0.0 111.013 -175.621 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 7' ' ' TRP . . . . . . . . . . . . . 38.5 m0 -94.46 174.77 6.96 Favored 'General case' 0 C--N 1.304 -1.411 0 CA-C-N 116.013 -0.54 . . . . 0.0 110.325 -178.11 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 8' ' ' THR . . . . . 0.549 HG22 ' HA ' ' A' ' 24' ' ' TRP . 75.1 p -122.17 173.94 7.27 Favored 'General case' 0 C--N 1.29 -2.018 0 N-CA-C 108.905 -0.776 . . . . 0.0 108.905 -176.185 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 9' ' ' CYS . . . . . 0.697 ' HB3' ' SG ' ' A' ' 15' ' ' CYS . 11.4 p -120.51 169.21 10.56 Favored 'General case' 0 C--O 1.251 1.141 0 C-N-CA 117.093 -1.843 . . . . 0.0 110.406 174.602 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 24.4 m-20 -137.42 -152.54 0.44 Allowed 'General case' 0 C--N 1.31 -1.114 0 N-CA-C 104.704 -2.332 . . . . 0.0 104.704 178.964 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 50.4 m -78.52 -38.02 41.65 Favored 'General case' 0 C--N 1.312 -1.057 0 C-N-CA 119.569 -0.852 . . . . 0.0 110.263 174.083 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 2.5 mp0 -87.13 -55.7 3.7 Favored 'General case' 0 C--O 1.233 0.223 0 C-N-CA 120.665 -0.414 . . . . 0.0 112.053 -178.987 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 13' ' ' ARG . . . . . 0.552 ' O ' ' HB2' ' A' ' 9' ' ' CYS . 57.1 mtm180 -71.18 111.59 6.65 Favored 'General case' 0 CA--C 1.505 -0.752 0 N-CA-C 108.153 -1.054 . . . . 0.0 108.153 175.035 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 23.0 pttp -106.2 148.3 28.06 Favored 'General case' 0 C--N 1.298 -1.631 0 N-CA-C 109.917 -0.401 . . . . 0.0 109.917 176.496 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 15' ' ' CYS . . . . . 0.697 ' SG ' ' HB3' ' A' ' 9' ' ' CYS . 61.2 m -75.52 147.72 39.53 Favored 'General case' 0 C--N 1.307 -1.259 0 N-CA-C 109.096 -0.705 . . . . 0.0 109.096 178.671 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 16' ' ' CYS . . . . . 0.581 ' HG ' ' N ' ' A' ' 3' ' ' GLN . 74.2 m -72.18 162.18 29.83 Favored 'General case' 0 C--N 1.306 -1.299 0 CA-C-O 120.635 0.255 . . . . 0.0 111.566 -178.221 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 65.1 tttm -62.08 131.7 50.41 Favored 'General case' 0 N--CA 1.442 -0.866 0 N-CA-C 109.387 -0.597 . . . . 0.0 109.387 179.229 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 112.29 -11.64 26.36 Favored Glycine 0 C--N 1.301 -1.389 0 N-CA-C 108.16 -1.976 . . . . 0.0 108.16 -171.622 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 19' ' ' MET . . . . . . . . . . . . . 65.0 mtt -134.11 157.36 46.37 Favored 'General case' 0 N--CA 1.429 -1.518 0 N-CA-C 106.803 -1.554 . . . . 0.0 106.803 175.569 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 29.3 m -108.53 141.7 23.09 Favored 'Isoleucine or valine' 0 C--N 1.279 -2.461 0 N-CA-C 108.764 -0.828 . . . . 0.0 108.764 174.001 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 21' ' ' CYS . . . . . 0.417 ' HA ' ' SG ' ' A' ' 15' ' ' CYS . 46.7 t -68.75 110.15 4.18 Favored 'General case' 0 N--CA 1.439 -0.996 0 N-CA-C 107.027 -1.471 . . . . 0.0 107.027 177.973 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 6.4 tpt180 -145.27 -169.92 3.31 Favored 'General case' 0 C--O 1.281 2.752 0 N-CA-C 108.228 -1.027 . . . . 0.0 108.228 -174.759 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 23' ' ' LEU . . . . . 0.452 ' O ' ' HB ' ' A' ' 8' ' ' THR . 82.7 mt -47.29 -45.55 24.28 Favored 'General case' 0 N--CA 1.483 1.217 0 C-N-CA 124.159 0.984 . . . . 0.0 108.975 179.263 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 24' ' ' TRP . . . . . 0.549 ' HA ' HG22 ' A' ' 8' ' ' THR . 37.2 p90 -131.76 159.59 38.02 Favored 'General case' 0 N--CA 1.416 -2.148 0 N-CA-C 104.804 -2.295 . . . . 0.0 104.804 170.481 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 93.4 m -66.98 112.59 4.42 Favored 'General case' 0 C--N 1.314 -0.977 0 CA-C-O 121.847 0.832 . . . . 0.0 110.392 -179.497 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 63.1 tttm -107.8 125.75 51.8 Favored 'General case' 0 N--CA 1.421 -1.917 0 CA-C-N 114.716 -1.129 . . . . 0.0 110.098 -172.571 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 33.5 mmtp . . . . . 0 CA--C 1.499 -0.987 0 CA-C-O 121.992 0.901 . . . . 0.0 112.163 179.008 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 3' ' ' GLN . . . . . 0.473 ' HB2' ' HA ' ' A' ' 15' ' ' CYS . 12.4 mm100 . . . . . 0 CA--C 1.51 -0.564 0 CA-C-O 121.144 0.497 . . . . 0.0 112.174 . . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 4' ' ' LYS . . . . . 0.432 ' HE2' ' CH2' ' A' ' 7' ' ' TRP . 54.5 mttm -95.01 168.43 10.78 Favored 'General case' 0 C--N 1.31 -1.132 0 CA-C-N 114.684 -1.144 . . . . 0.0 108.255 179.461 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 5' ' ' TRP . . . . . . . . . . . . . 27.0 p-90 -63.66 -23.81 67.53 Favored 'General case' 0 N--CA 1.494 1.763 0 CA-C-O 121.755 0.788 . . . . 0.0 110.573 -178.889 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 6' ' ' MET . . . . . . . . . . . . . 52.0 ttp -78.09 -18.85 55.21 Favored 'General case' 0 N--CA 1.43 -1.469 0 CA-C-N 114.717 -1.129 . . . . 0.0 110.358 -178.875 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 7' ' ' TRP . . . . . 0.432 ' CH2' ' HE2' ' A' ' 4' ' ' LYS . 51.9 m0 -103.88 172.72 6.65 Favored 'General case' 0 C--N 1.302 -1.481 0 CA-C-N 115.405 -0.816 . . . . 0.0 109.771 -178.036 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 8' ' ' THR . . . . . 0.629 ' HB ' ' O ' ' A' ' 23' ' ' LEU . 73.1 p -110.98 169.93 8.44 Favored 'General case' 0 C--N 1.293 -1.859 0 N-CA-C 108.081 -1.081 . . . . 0.0 108.081 179.452 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 9' ' ' CYS . . . . . 0.427 ' SG ' ' HB2' ' A' ' 15' ' ' CYS . 26.4 p -133.6 177.01 8.03 Favored 'General case' 0 C--O 1.244 0.788 0 C-N-CA 117.281 -1.767 . . . . 0.0 112.088 178.672 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 4.9 m-20 -147.0 -164.7 2.06 Favored 'General case' 0 CA--C 1.498 -1.023 0 N-CA-C 108.385 -0.969 . . . . 0.0 108.385 -175.998 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 19.4 p -69.68 -43.16 73.07 Favored 'General case' 0 N--CA 1.433 -1.302 0 N-CA-C 109.825 -0.435 . . . . 0.0 109.825 176.645 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 42.3 mt-10 -89.82 -39.38 13.13 Favored 'General case' 0 N--CA 1.44 -0.966 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.774 -179.698 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 63.2 mtm180 -73.18 111.47 8.33 Favored 'General case' 0 C--O 1.237 0.397 0 C-N-CA 119.17 -1.012 . . . . 0.0 109.016 176.267 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 58.0 mtpt -85.02 127.0 34.01 Favored 'General case' 0 C--N 1.308 -1.238 0 CA-C-N 115.468 -0.787 . . . . 0.0 111.119 -173.406 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 15' ' ' CYS . . . . . 0.473 ' HA ' ' HB2' ' A' ' 3' ' ' GLN . 22.9 t -94.21 141.79 28.15 Favored 'General case' 0 C--N 1.3 -1.581 0 N-CA-C 107.898 -1.149 . . . . 0.0 107.898 177.684 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 80.7 m -69.6 142.81 53.46 Favored 'General case' 0 C--N 1.293 -1.873 0 CA-C-O 121.246 0.546 . . . . 0.0 111.629 -175.871 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 57.4 mttp -64.1 140.39 58.86 Favored 'General case' 0 CA--C 1.507 -0.677 0 N-CA-C 109.469 -0.567 . . . . 0.0 109.469 176.91 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 112.46 -13.03 25.64 Favored Glycine 0 C--N 1.29 -1.976 0 N-CA-C 107.813 -2.115 . . . . 0.0 107.813 -171.081 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 19' ' ' MET . . . . . 0.492 ' HG2' ' HA ' ' A' ' 27' ' ' LYS . 60.4 mtm -127.37 162.99 25.0 Favored 'General case' 0 N--CA 1.423 -1.787 0 CA-C-N 113.481 -1.359 . . . . 0.0 108.129 174.076 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 57.8 t -105.85 128.68 59.9 Favored 'Isoleucine or valine' 0 C--N 1.289 -2.065 0 N-CA-C 106.832 -1.544 . . . . 0.0 106.832 179.492 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 32.8 t -87.04 131.35 34.13 Favored 'General case' 0 N--CA 1.428 -1.532 0 N-CA-C 109.339 -0.615 . . . . 0.0 109.339 -176.992 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 22' ' ' ARG . . . . . 0.419 ' HG3' ' H ' ' A' ' 23' ' ' LEU . 12.7 tpt180 -169.21 -156.02 0.15 Allowed 'General case' 0 C--O 1.284 2.88 0 N-CA-C 105.952 -1.87 . . . . 0.0 105.952 179.792 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 23' ' ' LEU . . . . . 0.629 ' O ' ' HB ' ' A' ' 8' ' ' THR . 6.7 tt -48.44 -37.0 16.06 Favored 'General case' 0 C--O 1.212 -0.912 0 C-N-CA 124.043 0.937 . . . . 0.0 109.05 177.597 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 24' ' ' TRP . . . . . 0.453 ' HA ' ' HA ' ' A' ' 8' ' ' THR . 21.6 p90 -135.07 165.88 24.34 Favored 'General case' 0 N--CA 1.434 -1.245 0 N-CA-C 107.232 -1.396 . . . . 0.0 107.232 173.829 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 55.4 m -85.67 113.31 21.77 Favored 'General case' 0 C--N 1.315 -0.906 0 CA-C-N 118.197 0.453 . . . . 0.0 109.907 174.857 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 62.3 tttp -99.22 118.16 35.29 Favored 'General case' 0 C--N 1.305 -1.369 0 N-CA-C 108.834 -0.802 . . . . 0.0 108.834 -177.855 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 27' ' ' LYS . . . . . 0.492 ' HA ' ' HG2' ' A' ' 19' ' ' MET . 59.7 pttt . . . . . 0 C--N 1.302 -1.465 0 N-CA-C 112.973 0.731 . . . . 0.0 112.973 -176.055 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 3' ' ' GLN . . . . . 0.52 ' HB2' ' HA ' ' A' ' 15' ' ' CYS . 11.3 mm100 . . . . . 0 N--CA 1.437 -1.124 0 CA-C-O 121.354 0.597 . . . . 0.0 111.767 . . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 49.6 mtmt -90.88 172.52 8.55 Favored 'General case' 0 C--N 1.31 -1.126 0 CA-C-N 115.086 -0.961 . . . . 0.0 109.12 178.736 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 5' ' ' TRP . . . . . . . . . . . . . 47.9 p90 -67.04 -24.27 65.97 Favored 'General case' 0 C--N 1.315 -0.921 0 C-N-CA 123.127 0.571 . . . . 0.0 112.326 -176.836 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 6' ' ' MET . . . . . . . . . . . . . 58.6 ttp -82.33 -21.52 35.98 Favored 'General case' 0 C--N 1.323 -0.55 0 CA-C-O 122.255 1.026 . . . . 0.0 108.977 178.583 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 7' ' ' TRP . . . . . . . . . . . . . 46.2 m0 -87.93 174.59 8.23 Favored 'General case' 0 C--N 1.288 -2.086 0 CA-C-N 114.268 -1.333 . . . . 0.0 109.602 -179.248 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 8' ' ' THR . . . . . 0.539 ' HA ' ' HA ' ' A' ' 24' ' ' TRP . 71.9 p -125.95 167.61 15.05 Favored 'General case' 0 C--N 1.276 -2.612 0 N-CA-C 107.146 -1.427 . . . . 0.0 107.146 -176.417 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 9' ' ' CYS . . . . . 0.654 ' HB2' ' O ' ' A' ' 13' ' ' ARG . 20.2 p -120.05 175.49 5.9 Favored 'General case' 0 N--CA 1.435 -1.195 0 C-N-CA 116.539 -2.064 . . . . 0.0 110.789 178.984 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 30.0 m-20 -136.81 -165.72 1.78 Allowed 'General case' 0 C--N 1.309 -1.153 0 N-CA-C 106.44 -1.689 . . . . 0.0 106.44 -179.116 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 1.8 p -75.03 -35.23 61.93 Favored 'General case' 0 C--N 1.286 -2.184 0 CA-C-O 121.589 0.709 . . . . 0.0 109.576 173.102 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 9.3 pt-20 -84.84 -40.74 16.78 Favored 'General case' 0 C--N 1.32 -0.699 0 CA-C-N 115.426 -0.807 . . . . 0.0 111.443 179.473 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 13' ' ' ARG . . . . . 0.654 ' O ' ' HB2' ' A' ' 9' ' ' CYS . 83.6 mtm180 -98.89 115.83 29.76 Favored 'General case' 0 C--O 1.206 -1.223 0 N-CA-C 109.181 -0.674 . . . . 0.0 109.181 -179.844 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 38.4 mtmm -105.64 152.34 23.25 Favored 'General case' 0 C--N 1.298 -1.652 0 CA-C-O 120.754 0.311 . . . . 0.0 110.558 179.213 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 15' ' ' CYS . . . . . 0.591 ' SG ' ' HA ' ' A' ' 21' ' ' CYS . 55.7 m -75.29 153.66 37.81 Favored 'General case' 0 C--N 1.312 -1.034 0 N-CA-C 109.081 -0.711 . . . . 0.0 109.081 178.736 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 41.1 m -64.16 162.36 14.57 Favored 'General case' 0 C--O 1.25 1.091 0 CA-C-O 120.903 0.383 . . . . 0.0 111.433 -178.022 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 29.8 mtpp -63.98 126.47 27.78 Favored 'General case' 0 C--N 1.324 -0.51 0 N-CA-C 109.382 -0.599 . . . . 0.0 109.382 176.768 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 112.16 -7.22 27.03 Favored Glycine 0 C--N 1.306 -1.1 0 N-CA-C 109.833 -1.307 . . . . 0.0 109.833 -174.001 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 19' ' ' MET . . . . . . . . . . . . . 66.6 mtt -126.33 158.66 35.27 Favored 'General case' 0 C--N 1.308 -1.209 0 N-CA-C 108.236 -1.024 . . . . 0.0 108.236 176.46 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 11.2 p -107.02 135.78 44.33 Favored 'Isoleucine or valine' 0 C--N 1.29 -1.999 0 N-CA-C 108.359 -0.978 . . . . 0.0 108.359 175.661 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 21' ' ' CYS . . . . . 0.591 ' HA ' ' SG ' ' A' ' 15' ' ' CYS . 49.8 t -76.46 113.86 14.54 Favored 'General case' 0 N--CA 1.431 -1.408 0 N-CA-C 107.771 -1.196 . . . . 0.0 107.771 178.829 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 22' ' ' ARG . . . . . 0.496 ' HA ' ' HE ' ' A' ' 22' ' ' ARG . 1.1 tpm_? -144.1 -169.41 3.11 Favored 'General case' 0 C--O 1.276 2.483 0 N-CA-C 107.043 -1.466 . . . . 0.0 107.043 -177.55 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 23' ' ' LEU . . . . . 0.492 ' H ' ' HG3' ' A' ' 22' ' ' ARG . 85.2 mt -55.52 -19.95 11.45 Favored 'General case' 0 C--O 1.219 -0.508 0 C-N-CA 123.866 0.867 . . . . 0.0 110.722 175.825 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 24' ' ' TRP . . . . . 0.539 ' HA ' ' HA ' ' A' ' 8' ' ' THR . 18.0 p90 -145.13 162.33 37.3 Favored 'General case' 0 N--CA 1.419 -2.004 0 N-CA-C 105.244 -2.132 . . . . 0.0 105.244 170.079 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 93.9 m -81.83 112.93 19.42 Favored 'General case' 0 C--N 1.303 -1.419 0 CA-C-N 119.058 0.845 . . . . 0.0 110.659 177.923 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 86.7 tttt -107.22 133.83 51.22 Favored 'General case' 0 C--N 1.294 -1.836 0 CA-C-N 115.059 -0.973 . . . . 0.0 109.342 -174.759 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 61.0 pttt . . . . . 0 C--N 1.301 -1.509 0 CA-C-O 120.928 0.394 . . . . 0.0 110.649 179.954 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 3' ' ' GLN . . . . . 0.569 ' N ' ' HG ' ' A' ' 16' ' ' CYS . 15.1 mm100 . . . . . 0 CA--C 1.502 -0.871 0 N-CA-C 108.316 -0.994 . . . . 0.0 108.316 . . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 98.5 mttt -91.11 163.16 14.38 Favored 'General case' 0 C--N 1.299 -1.598 0 CA-C-O 121.001 0.429 . . . . 0.0 110.102 178.094 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 5' ' ' TRP . . . . . . . . . . . . . 42.7 p90 -62.59 -26.03 68.39 Favored 'General case' 0 C--N 1.306 -1.297 0 C-N-CA 124.628 1.171 . . . . 0.0 110.648 178.264 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 6' ' ' MET . . . . . 0.544 ' HG3' ' CD1' ' A' ' 7' ' ' TRP . 26.2 ptm -78.27 -10.15 59.54 Favored 'General case' 0 C--N 1.321 -0.662 0 CA-C-N 115.272 -0.876 . . . . 0.0 110.459 179.812 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 7' ' ' TRP . . . . . 0.544 ' CD1' ' HG3' ' A' ' 6' ' ' MET . 40.7 m0 -108.6 -172.18 2.0 Favored 'General case' 0 N--CA 1.437 -1.1 0 N-CA-C 108.425 -0.954 . . . . 0.0 108.425 179.869 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 8' ' ' THR . . . . . 0.65 ' HB ' ' O ' ' A' ' 23' ' ' LEU . 70.7 p -124.68 172.79 9.0 Favored 'General case' 0 C--N 1.291 -1.943 0 N-CA-C 108.882 -0.784 . . . . 0.0 108.882 -176.748 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 9' ' ' CYS . . . . . 0.673 ' SG ' ' HB2' ' A' ' 15' ' ' CYS . 29.9 p -140.64 179.31 6.76 Favored 'General case' 0 C--O 1.251 1.134 0 C-N-CA 118.381 -1.328 . . . . 0.0 111.441 175.697 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 10' ' ' ASP . . . . . 0.456 ' CG ' ' H ' ' A' ' 11' ' ' SER . 29.8 t70 -159.46 -159.96 0.79 Allowed 'General case' 0 C--N 1.313 -0.998 0 N-CA-C 106.899 -1.519 . . . . 0.0 106.899 -176.631 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 11' ' ' SER . . . . . 0.456 ' H ' ' CG ' ' A' ' 10' ' ' ASP . 14.7 m -80.03 -30.06 39.42 Favored 'General case' 0 N--CA 1.425 -1.699 0 N-CA-C 109.047 -0.723 . . . . 0.0 109.047 177.459 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 11.8 pt-20 -79.17 -46.29 18.22 Favored 'General case' 0 CA--C 1.536 0.409 0 CA-C-N 115.978 -0.556 . . . . 0.0 110.766 178.694 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 13' ' ' ARG . . . . . 0.554 ' O ' ' HB2' ' A' ' 9' ' ' CYS . 5.5 mmp_? -99.1 111.82 24.11 Favored 'General case' 0 CA--C 1.486 -1.519 0 N-CA-C 109.357 -0.608 . . . . 0.0 109.357 174.056 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 34.2 mmtp -89.5 137.13 32.59 Favored 'General case' 0 C--N 1.278 -2.518 0 CA-C-O 121.198 0.523 . . . . 0.0 109.961 178.665 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 15' ' ' CYS . . . . . 0.673 ' HB2' ' SG ' ' A' ' 9' ' ' CYS . 8.9 t -83.46 154.6 23.84 Favored 'General case' 0 C--N 1.288 -2.102 0 CA-C-N 115.201 -0.909 . . . . 0.0 108.595 -179.368 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 16' ' ' CYS . . . . . 0.569 ' HG ' ' N ' ' A' ' 3' ' ' GLN . 55.8 m -84.02 157.98 21.64 Favored 'General case' 0 C--N 1.289 -2.047 0 CA-C-O 121.123 0.487 . . . . 0.0 111.487 -175.227 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 53.9 mtmt -63.77 142.43 58.41 Favored 'General case' 0 N--CA 1.438 -1.029 0 CA-C-N 115.27 -0.877 . . . . 0.0 109.903 179.652 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 112.16 -21.92 19.14 Favored Glycine 0 C--N 1.3 -1.454 0 N-CA-C 108.246 -1.941 . . . . 0.0 108.246 -173.419 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 19' ' ' MET . . . . . 0.46 ' HG3' ' HA ' ' A' ' 27' ' ' LYS . 4.4 mpp? -123.67 168.17 13.02 Favored 'General case' 0 N--CA 1.425 -1.676 0 N-CA-C 108.644 -0.873 . . . . 0.0 108.644 175.213 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 45.1 t -106.25 131.79 55.03 Favored 'Isoleucine or valine' 0 C--N 1.287 -2.13 0 N-CA-C 105.87 -1.9 . . . . 0.0 105.87 176.341 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 10.0 t -79.47 135.15 36.58 Favored 'General case' 0 N--CA 1.426 -1.641 0 N-CA-C 108.174 -1.047 . . . . 0.0 108.174 179.922 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 22' ' ' ARG . . . . . 0.498 ' HG3' ' H ' ' A' ' 23' ' ' LEU . 25.2 tpt180 -166.81 -172.17 2.03 Favored 'General case' 0 N--CA 1.417 -2.081 0 N-CA-C 105.5 -2.037 . . . . 0.0 105.5 -174.995 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 23' ' ' LEU . . . . . 0.65 ' O ' ' HB ' ' A' ' 8' ' ' THR . 65.7 tp -48.55 -30.31 5.15 Favored 'General case' 0 C--O 1.215 -0.758 0 C-N-CA 123.521 0.728 . . . . 0.0 110.399 174.837 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 24' ' ' TRP . . . . . 0.532 ' HA ' ' HA ' ' A' ' 8' ' ' THR . 29.2 p90 -135.9 161.41 35.7 Favored 'General case' 0 N--CA 1.434 -1.267 0 N-CA-C 106.684 -1.599 . . . . 0.0 106.684 173.389 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 53.6 m -80.5 112.77 18.16 Favored 'General case' 0 C--N 1.312 -1.033 0 C-N-CA 119.647 -0.821 . . . . 0.0 110.411 176.65 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 40.5 ttmt -95.68 122.95 38.98 Favored 'General case' 0 C--N 1.302 -1.487 0 CA-C-N 115.508 -0.769 . . . . 0.0 109.591 -177.892 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 27' ' ' LYS . . . . . 0.46 ' HA ' ' HG3' ' A' ' 19' ' ' MET . 27.9 mtpp . . . . . 0 CA--C 1.501 -0.938 0 N-CA-C 109.659 -0.497 . . . . 0.0 109.659 177.521 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 3' ' ' GLN . . . . . 0.445 ' HB2' ' HA ' ' A' ' 15' ' ' CYS . 14.9 mm100 . . . . . 0 N--CA 1.427 -1.6 0 CA-C-O 120.922 0.392 . . . . 0.0 110.326 . . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 94.9 mttt -87.67 167.1 14.17 Favored 'General case' 0 C--N 1.298 -1.663 0 CA-C-N 114.902 -1.045 . . . . 0.0 109.609 -177.788 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 5' ' ' TRP . . . . . . . . . . . . . 4.3 p-90 -57.11 -31.44 65.29 Favored 'General case' 0 C--N 1.318 -0.78 0 C-N-CA 123.925 0.89 . . . . 0.0 113.29 -175.363 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 6' ' ' MET . . . . . . . . . . . . . 61.9 ttp -76.55 -25.83 54.47 Favored 'General case' 0 C--N 1.329 -0.316 0 C-N-CA 119.872 -0.731 . . . . 0.0 110.311 -179.897 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 7' ' ' TRP . . . . . . . . . . . . . 49.6 m0 -87.83 -177.84 5.9 Favored 'General case' 0 C--N 1.291 -1.955 0 CA-C-N 115.396 -0.82 . . . . 0.0 109.685 -177.326 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 8' ' ' THR . . . . . 0.587 ' HB ' ' O ' ' A' ' 23' ' ' LEU . 75.4 p -118.06 160.03 22.21 Favored 'General case' 0 C--N 1.29 -1.981 0 N-CA-C 108.378 -0.971 . . . . 0.0 108.378 -179.876 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 9' ' ' CYS . . . . . 0.474 ' HB2' ' O ' ' A' ' 13' ' ' ARG . 26.6 p -123.46 172.08 8.99 Favored 'General case' 0 N--CA 1.437 -1.091 0 C-N-CA 117.857 -1.537 . . . . 0.0 110.122 175.504 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 15.3 t70 -154.17 -163.93 1.73 Allowed 'General case' 0 C--N 1.305 -1.355 0 N-CA-C 106.657 -1.609 . . . . 0.0 106.657 -174.967 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 33.1 t -74.96 -32.92 61.84 Favored 'General case' 0 C--N 1.297 -1.687 0 N-CA-C 109.073 -0.714 . . . . 0.0 109.073 179.913 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 41.4 mt-10 -88.24 -32.1 18.7 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-O 121.445 0.64 . . . . 0.0 110.299 179.568 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 13' ' ' ARG . . . . . 0.474 ' O ' ' HB2' ' A' ' 9' ' ' CYS . 59.6 mtm180 -98.88 111.45 23.84 Favored 'General case' 0 C--N 1.308 -1.202 0 CA-C-N 115.752 -0.658 . . . . 0.0 109.891 -177.644 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 55.4 pttt -92.36 131.28 37.67 Favored 'General case' 0 C--N 1.304 -1.397 0 CA-C-O 120.857 0.36 . . . . 0.0 110.677 -177.376 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 15' ' ' CYS . . . . . 0.445 ' HA ' ' HB2' ' A' ' 3' ' ' GLN . 9.1 t -81.97 153.02 26.46 Favored 'General case' 0 C--N 1.304 -1.406 0 CA-C-N 116.063 -0.517 . . . . 0.0 109.826 -176.38 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 16' ' ' CYS . . . . . 0.466 ' HB2' ' SD ' ' A' ' 19' ' ' MET . 82.8 m -62.93 145.31 55.55 Favored 'General case' 0 C--N 1.315 -0.901 0 CA-C-O 121.663 0.744 . . . . 0.0 112.134 -177.862 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 66.5 mttm -71.89 130.28 40.64 Favored 'General case' 0 C--N 1.304 -1.4 0 CA-C-N 115.239 -0.891 . . . . 0.0 109.015 177.557 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 107.14 -3.71 35.39 Favored Glycine 0 N--CA 1.439 -1.134 0 N-CA-C 109.409 -1.476 . . . . 0.0 109.409 -172.644 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 19' ' ' MET . . . . . 0.466 ' SD ' ' HB2' ' A' ' 16' ' ' CYS . 65.3 mtt -121.59 170.58 9.55 Favored 'General case' 0 C--N 1.312 -1.058 0 N-CA-C 108.606 -0.887 . . . . 0.0 108.606 177.842 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 98.6 t -107.13 126.82 63.21 Favored 'Isoleucine or valine' 0 C--N 1.3 -1.552 0 N-CA-C 108.302 -0.999 . . . . 0.0 108.302 177.836 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 18.4 t -90.97 130.26 36.91 Favored 'General case' 0 N--CA 1.434 -1.264 0 N-CA-C 109.0 -0.741 . . . . 0.0 109.0 -179.541 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 22' ' ' ARG . . . . . 0.564 ' HG2' ' H ' ' A' ' 23' ' ' LEU . 30.2 ttm180 -166.37 -170.74 1.74 Allowed 'General case' 0 C--O 1.28 2.694 0 N-CA-C 106.557 -1.646 . . . . 0.0 106.557 -177.209 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 23' ' ' LEU . . . . . 0.587 ' O ' ' HB ' ' A' ' 8' ' ' THR . 62.5 tp -42.09 -43.14 3.15 Favored 'General case' 0 C--N 1.358 0.966 0 C-N-CA 123.869 0.868 . . . . 0.0 109.937 175.602 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 24' ' ' TRP . . . . . 0.54 ' HA ' ' HA ' ' A' ' 8' ' ' THR . 26.3 p90 -131.68 151.44 51.63 Favored 'General case' 0 N--CA 1.428 -1.56 0 N-CA-C 107.153 -1.425 . . . . 0.0 107.153 170.982 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 57.9 m -76.2 157.89 32.21 Favored 'General case' 0 C--N 1.318 -0.77 0 CA-C-O 121.153 0.501 . . . . 0.0 111.832 -179.177 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 63.8 tttm -150.58 156.89 42.26 Favored 'General case' 0 C--O 1.198 -1.643 0 N-CA-C 106.557 -1.646 . . . . 0.0 106.557 -177.494 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 23.9 tptm . . . . . 0 N--CA 1.413 -2.292 0 CA-C-N 119.34 0.973 . . . . 0.0 109.428 178.112 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 3' ' ' GLN . . . . . 0.425 ' N ' ' HG ' ' A' ' 16' ' ' CYS . 15.3 mm100 . . . . . 0 N--CA 1.437 -1.103 0 N-CA-C 109.645 -0.502 . . . . 0.0 109.645 . . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 47.5 mmtm -94.54 157.43 15.99 Favored 'General case' 0 C--N 1.295 -1.804 0 N-CA-C 107.726 -1.213 . . . . 0.0 107.726 173.883 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 5' ' ' TRP . . . . . . . . . . . . . 12.9 p-90 -61.34 -21.82 64.35 Favored 'General case' 0 C--N 1.307 -1.255 0 CA-C-O 121.413 0.625 . . . . 0.0 110.925 -179.621 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 6' ' ' MET . . . . . . . . . . . . . 26.6 ptt? -84.92 -6.95 59.34 Favored 'General case' 0 N--CA 1.437 -1.099 0 CA-C-N 115.557 -0.747 . . . . 0.0 111.235 -178.755 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 7' ' ' TRP . . . . . . . . . . . . . 54.6 m0 -100.3 -176.15 3.14 Favored 'General case' 0 C--O 1.244 0.796 0 CA-C-O 120.854 0.359 . . . . 0.0 110.142 -178.984 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 8' ' ' THR . . . . . 0.561 ' HB ' ' O ' ' A' ' 23' ' ' LEU . 71.8 p -129.97 178.65 6.38 Favored 'General case' 0 C--N 1.303 -1.434 0 N-CA-C 108.294 -1.002 . . . . 0.0 108.294 -176.576 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 9' ' ' CYS . . . . . 0.609 ' HB2' ' O ' ' A' ' 13' ' ' ARG . 23.3 p -134.9 170.72 15.44 Favored 'General case' 0 N--CA 1.445 -0.695 0 C-N-CA 117.947 -1.501 . . . . 0.0 110.909 173.996 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 14.7 t70 -158.78 -137.74 0.05 Allowed 'General case' 0 C--N 1.315 -0.908 0 N-CA-C 106.818 -1.549 . . . . 0.0 106.818 179.899 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 13.0 p -80.14 -45.07 18.8 Favored 'General case' 0 C--N 1.313 -0.991 0 CA-C-N 118.734 0.697 . . . . 0.0 112.454 -178.9 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 26.9 mm-40 -77.2 -51.16 11.43 Favored 'General case' 0 C--N 1.323 -0.56 0 CA-C-O 121.337 0.589 . . . . 0.0 110.302 179.963 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 13' ' ' ARG . . . . . 0.609 ' O ' ' HB2' ' A' ' 9' ' ' CYS . 2.1 mmp_? -90.7 118.52 30.2 Favored 'General case' 0 C--N 1.298 -1.666 0 CA-C-N 115.79 -0.641 . . . . 0.0 110.788 -179.49 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 99.0 mttt -106.4 141.34 37.87 Favored 'General case' 0 C--N 1.297 -1.715 0 N-CA-C 108.996 -0.742 . . . . 0.0 108.996 173.808 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 15' ' ' CYS . . . . . 0.519 ' SG ' ' HB3' ' A' ' 9' ' ' CYS . 81.7 m -73.78 147.49 43.38 Favored 'General case' 0 C--N 1.32 -0.703 0 N-CA-C 108.841 -0.8 . . . . 0.0 108.841 176.572 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 16' ' ' CYS . . . . . 0.425 ' HG ' ' N ' ' A' ' 3' ' ' GLN . 56.5 m -74.54 157.77 34.92 Favored 'General case' 0 C--N 1.299 -1.604 0 CA-C-N 116.635 -0.257 . . . . 0.0 110.915 -178.053 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 40.1 ttmt -59.65 136.89 58.13 Favored 'General case' 0 C--N 1.323 -0.558 0 N-CA-C 108.93 -0.767 . . . . 0.0 108.93 178.094 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 107.2 -15.83 39.12 Favored Glycine 0 C--N 1.304 -1.234 0 N-CA-C 108.791 -1.723 . . . . 0.0 108.791 -173.015 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 19' ' ' MET . . . . . 0.436 ' HG2' ' HA ' ' A' ' 27' ' ' LYS . 73.0 mtm -125.2 165.78 17.66 Favored 'General case' 0 N--CA 1.429 -1.487 0 N-CA-C 107.587 -1.264 . . . . 0.0 107.587 174.093 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 11.2 t -106.17 135.73 43.36 Favored 'Isoleucine or valine' 0 C--N 1.288 -2.077 0 N-CA-C 106.679 -1.6 . . . . 0.0 106.679 178.951 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 38.6 t -87.49 104.43 16.46 Favored 'General case' 0 N--CA 1.423 -1.793 0 N-CA-C 107.835 -1.172 . . . . 0.0 107.835 178.819 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 22' ' ' ARG . . . . . 0.428 ' HB3' ' H ' ' A' ' 23' ' ' LEU . 96.3 mtt180 -135.71 -163.3 1.37 Allowed 'General case' 0 C--O 1.272 2.284 0 CA-C-N 114.896 -1.047 . . . . 0.0 109.194 -179.204 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 23' ' ' LEU . . . . . 0.561 ' O ' ' HB ' ' A' ' 8' ' ' THR . 54.7 tp -53.33 -27.15 21.8 Favored 'General case' 0 C--O 1.21 -1.01 0 CA-C-N 114.724 -1.126 . . . . 0.0 109.561 174.688 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 24' ' ' TRP . . . . . 0.482 ' HA ' HG22 ' A' ' 8' ' ' THR . 17.2 p90 -139.07 165.16 27.87 Favored 'General case' 0 N--CA 1.428 -1.567 0 N-CA-C 106.692 -1.596 . . . . 0.0 106.692 173.953 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 85.6 m -82.99 112.31 19.64 Favored 'General case' 0 C--N 1.318 -0.77 0 C-N-CA 119.527 -0.869 . . . . 0.0 108.882 175.601 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 59.9 tttm -96.4 119.99 35.89 Favored 'General case' 0 C--N 1.301 -1.511 0 N-CA-C 109.237 -0.653 . . . . 0.0 109.237 -177.962 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 27' ' ' LYS . . . . . 0.436 ' HA ' ' HG2' ' A' ' 19' ' ' MET . 22.7 pttp . . . . . 0 C--N 1.302 -1.482 0 CA-C-O 121.407 0.623 . . . . 0.0 110.714 179.751 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 3' ' ' GLN . . . . . 0.488 ' N ' ' HG ' ' A' ' 16' ' ' CYS . 15.0 mm100 . . . . . 0 N--CA 1.44 -0.964 0 N-CA-C 108.082 -1.081 . . . . 0.0 108.082 . . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 67.2 mttm -94.72 164.39 12.97 Favored 'General case' 0 C--N 1.301 -1.514 0 N-CA-C 109.629 -0.508 . . . . 0.0 109.629 178.538 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 5' ' ' TRP . . . . . . . . . . . . . 32.7 p90 -69.26 -14.67 63.08 Favored 'General case' 0 N--CA 1.488 1.469 0 CA-C-O 122.499 1.143 . . . . 0.0 110.639 -179.826 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 6' ' ' MET . . . . . . . . . . . . . 22.1 ptp -92.82 1.34 57.34 Favored 'General case' 0 C--N 1.301 -1.542 0 CA-C-N 114.401 -1.272 . . . . 0.0 109.305 179.945 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 7' ' ' TRP . . . . . . . . . . . . . 52.4 m0 -116.57 -174.29 2.54 Favored 'General case' 0 C--O 1.246 0.875 0 N-CA-C 108.118 -1.068 . . . . 0.0 108.118 178.692 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 8' ' ' THR . . . . . 0.536 ' HA ' ' HA ' ' A' ' 24' ' ' TRP . 46.2 p -131.13 172.62 11.9 Favored 'General case' 0 C--N 1.298 -1.659 0 CA-C-O 118.963 -0.541 . . . . 0.0 109.562 -175.165 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 9' ' ' CYS . . . . . 0.592 ' HB2' ' O ' ' A' ' 13' ' ' ARG . 19.0 p -127.69 -179.77 5.11 Favored 'General case' 0 C--O 1.239 0.523 0 C-N-CA 116.495 -2.082 . . . . 0.0 111.725 177.331 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 6.5 m-20 -142.78 -161.64 1.28 Allowed 'General case' 0 C--N 1.315 -0.927 0 N-CA-C 106.532 -1.655 . . . . 0.0 106.532 -177.497 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 16.0 m -82.93 -32.45 27.18 Favored 'General case' 0 C--N 1.305 -1.36 0 N-CA-C 108.676 -0.861 . . . . 0.0 108.676 173.537 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 10.3 pt-20 -79.02 -44.15 22.83 Favored 'General case' 0 CA--C 1.535 0.368 0 CA-C-N 115.769 -0.651 . . . . 0.0 111.205 178.852 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 13' ' ' ARG . . . . . 0.592 ' O ' ' HB2' ' A' ' 9' ' ' CYS . 37.3 mtm180 -99.6 116.86 32.71 Favored 'General case' 0 CA--C 1.496 -1.134 0 N-CA-C 109.119 -0.697 . . . . 0.0 109.119 177.702 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 14.9 ptmm? -104.92 151.46 23.85 Favored 'General case' 0 C--N 1.293 -1.887 0 N-CA-C 108.825 -0.806 . . . . 0.0 108.825 177.289 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 15' ' ' CYS . . . . . 0.62 ' SG ' ' HA ' ' A' ' 21' ' ' CYS . 59.3 m -68.82 153.62 43.47 Favored 'General case' 0 C--N 1.307 -1.259 0 N-CA-C 108.251 -1.018 . . . . 0.0 108.251 175.241 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 16' ' ' CYS . . . . . 0.488 ' HG ' ' N ' ' A' ' 3' ' ' GLN . 81.0 m -75.86 161.61 28.84 Favored 'General case' 0 C--N 1.299 -1.602 0 N-CA-C 111.673 0.249 . . . . 0.0 111.673 -176.217 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 25.0 ttmm -58.83 121.49 11.26 Favored 'General case' 0 C--O 1.239 0.546 0 N-CA-C 109.738 -0.467 . . . . 0.0 109.738 -178.876 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 111.43 8.07 23.58 Favored Glycine 0 N--CA 1.439 -1.157 0 N-CA-C 110.03 -1.228 . . . . 0.0 110.03 -174.134 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 19' ' ' MET . . . . . 0.407 ' HG2' ' HA ' ' A' ' 27' ' ' LYS . 64.0 mtt -139.77 158.14 44.59 Favored 'General case' 0 C--N 1.315 -0.913 0 N-CA-C 107.79 -1.189 . . . . 0.0 107.79 176.856 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 8.2 p -106.5 134.65 47.49 Favored 'Isoleucine or valine' 0 C--N 1.291 -1.948 0 N-CA-C 108.202 -1.036 . . . . 0.0 108.202 175.339 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 21' ' ' CYS . . . . . 0.62 ' HA ' ' SG ' ' A' ' 15' ' ' CYS . 43.8 t -88.14 107.35 18.72 Favored 'General case' 0 C--N 1.309 -1.163 0 CA-C-N 116.005 -0.543 . . . . 0.0 110.404 -175.081 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 99.1 mtt180 -143.81 -157.37 0.77 Allowed 'General case' 0 C--O 1.288 3.083 0 CA-C-N 115.122 -0.945 . . . . 0.0 110.258 179.309 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 23' ' ' LEU . . . . . 0.492 ' O ' ' HB ' ' A' ' 8' ' ' THR . 61.2 tp -45.76 -42.12 11.6 Favored 'General case' 0 CA--C 1.508 -0.653 0 CA-C-N 114.873 -1.058 . . . . 0.0 109.279 176.02 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 24' ' ' TRP . . . . . 0.536 ' HA ' ' HA ' ' A' ' 8' ' ' THR . 35.6 p90 -132.35 166.12 22.68 Favored 'General case' 0 N--CA 1.421 -1.885 0 N-CA-C 108.225 -1.028 . . . . 0.0 108.225 172.13 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 78.3 m -83.76 113.28 20.79 Favored 'General case' 0 C--N 1.307 -1.274 0 CA-C-O 121.274 0.559 . . . . 0.0 109.977 177.358 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 83.6 tttt -105.38 120.5 41.73 Favored 'General case' 0 N--CA 1.416 -2.134 0 N-CA-C 108.477 -0.935 . . . . 0.0 108.477 -177.801 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 27' ' ' LYS . . . . . 0.407 ' HA ' ' HG2' ' A' ' 19' ' ' MET . 23.5 pttm . . . . . 0 C--N 1.295 -1.787 0 N-CA-C 113.32 0.859 . . . . 0.0 113.32 -173.816 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 3' ' ' GLN . . . . . 0.467 ' HB2' ' HA ' ' A' ' 15' ' ' CYS . 14.4 mm100 . . . . . 0 N--CA 1.433 -1.294 0 CA-C-O 121.029 0.443 . . . . 0.0 109.812 . . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 92.0 mttt -83.25 168.75 16.43 Favored 'General case' 0 C--N 1.295 -1.775 0 N-CA-C 109.045 -0.724 . . . . 0.0 109.045 -178.571 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 5' ' ' TRP . . . . . 0.412 ' CE3' ' HD2' ' A' ' 27' ' ' LYS . 28.2 p-90 -60.99 -23.45 65.39 Favored 'General case' 0 N--CA 1.484 1.243 0 C-N-CA 122.883 0.473 . . . . 0.0 111.845 -175.755 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 6' ' ' MET . . . . . . . . . . . . . 15.8 tpt -70.79 -28.51 64.71 Favored 'General case' 0 N--CA 1.432 -1.353 0 CA-C-O 122.115 0.96 . . . . 0.0 110.127 -179.392 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 7' ' ' TRP . . . . . . . . . . . . . 31.7 m0 -99.66 -168.2 1.57 Allowed 'General case' 0 C--N 1.305 -1.345 0 CA-C-N 114.91 -1.041 . . . . 0.0 111.182 -175.48 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 8' ' ' THR . . . . . 0.483 ' HA ' ' HA ' ' A' ' 24' ' ' TRP . 70.4 p -124.8 166.21 16.62 Favored 'General case' 0 C--N 1.307 -1.25 0 N-CA-C 107.279 -1.378 . . . . 0.0 107.279 -179.256 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 9' ' ' CYS . . . . . 0.564 ' SG ' ' HB2' ' A' ' 15' ' ' CYS . 26.0 p -135.56 177.11 8.08 Favored 'General case' 0 CA--C 1.502 -0.88 0 C-N-CA 117.483 -1.687 . . . . 0.0 111.491 179.541 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 24.7 m-20 -142.72 -170.72 3.28 Favored 'General case' 0 C--N 1.315 -0.892 0 N-CA-C 108.212 -1.033 . . . . 0.0 108.212 -176.237 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 36.0 p -77.4 -24.76 50.44 Favored 'General case' 0 C--N 1.312 -1.04 0 CA-C-O 122.241 1.02 . . . . 0.0 108.746 174.253 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 8.3 mm-40 -89.75 -47.09 8.14 Favored 'General case' 0 N--CA 1.437 -1.111 0 CA-C-N 114.544 -1.207 . . . . 0.0 109.199 -177.755 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 23.9 mtp180 -90.0 111.61 22.76 Favored 'General case' 0 N--CA 1.427 -1.617 0 CA-C-N 115.826 -0.625 . . . . 0.0 109.495 178.313 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 19.1 ptpt -80.14 140.23 36.48 Favored 'General case' 0 C--N 1.314 -0.96 0 CA-C-O 121.076 0.465 . . . . 0.0 110.858 -178.235 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 15' ' ' CYS . . . . . 0.564 ' HB2' ' SG ' ' A' ' 9' ' ' CYS . 26.0 t -87.58 160.2 18.28 Favored 'General case' 0 C--N 1.288 -2.081 0 N-CA-C 108.341 -0.985 . . . . 0.0 108.341 177.501 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 78.4 m -69.61 138.56 53.21 Favored 'General case' 0 C--N 1.306 -1.324 0 CA-C-O 121.449 0.642 . . . . 0.0 109.812 177.807 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 56.7 mtpt -77.97 134.24 37.88 Favored 'General case' 0 N--CA 1.42 -1.971 0 CA-C-N 115.653 -0.703 . . . . 0.0 109.508 -177.841 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 113.75 -15.14 21.85 Favored Glycine 0 N--CA 1.43 -1.724 0 N-CA-C 108.117 -1.993 . . . . 0.0 108.117 -167.608 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 19' ' ' MET . . . . . . . . . . . . . 2.2 mpt? -110.76 171.7 7.31 Favored 'General case' 0 N--CA 1.444 -0.735 0 N-CA-C 107.682 -1.229 . . . . 0.0 107.682 170.512 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 20' ' ' VAL . . . . . 0.496 ' HB ' ' HB3' ' A' ' 26' ' ' LYS . 22.8 t -106.1 123.58 60.84 Favored 'Isoleucine or valine' 0 C--N 1.302 -1.496 0 N-CA-C 107.183 -1.414 . . . . 0.0 107.183 176.877 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 29.4 t -84.02 120.68 26.42 Favored 'General case' 0 C--N 1.31 -1.146 0 N-CA-C 109.807 -0.442 . . . . 0.0 109.807 -179.234 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 22' ' ' ARG . . . . . 0.584 ' HA ' ' NE ' ' A' ' 22' ' ' ARG . 3.0 mmp_? -151.77 -158.06 0.87 Allowed 'General case' 0 C--O 1.271 2.229 0 C-N-CA 124.87 1.268 . . . . 0.0 108.711 178.396 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 23' ' ' LEU . . . . . 0.484 ' H ' ' HB3' ' A' ' 22' ' ' ARG . 57.2 tp -57.24 -19.41 21.24 Favored 'General case' 0 CA--C 1.544 0.716 0 CA-C-N 114.686 -1.143 . . . . 0.0 109.566 176.607 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 24' ' ' TRP . . . . . 0.483 ' HA ' ' HA ' ' A' ' 8' ' ' THR . 8.3 p90 -143.15 161.21 38.83 Favored 'General case' 0 N--CA 1.421 -1.92 0 N-CA-C 105.852 -1.907 . . . . 0.0 105.852 171.94 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 33.2 m -86.94 117.93 25.99 Favored 'General case' 0 C--N 1.301 -1.514 0 C-N-CA 120.076 -0.65 . . . . 0.0 109.344 174.596 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 26' ' ' LYS . . . . . 0.496 ' HB3' ' HB ' ' A' ' 20' ' ' VAL . 84.1 tttt -91.75 121.88 33.78 Favored 'General case' 0 C--N 1.296 -1.76 0 CA-C-N 115.914 -0.584 . . . . 0.0 109.518 -176.994 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 27' ' ' LYS . . . . . 0.412 ' HD2' ' CE3' ' A' ' 5' ' ' TRP . 15.0 ptmm? . . . . . 0 C--N 1.315 -0.927 0 N-CA-C 108.752 -0.833 . . . . 0.0 108.752 175.094 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 3' ' ' GLN . . . . . 0.538 ' HB2' ' HA ' ' A' ' 15' ' ' CYS . 13.5 mm100 . . . . . 0 N--CA 1.43 -1.459 0 N-CA-C 109.751 -0.463 . . . . 0.0 109.751 . . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 62.8 mttp -72.64 176.3 5.62 Favored 'General case' 0 C--N 1.323 -0.55 0 CA-C-O 121.198 0.523 . . . . 0.0 111.41 179.363 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 5' ' ' TRP . . . . . . . . . . . . . 46.9 p90 -64.55 -24.22 67.53 Favored 'General case' 0 C--N 1.318 -0.78 0 C-N-CA 124.371 1.068 . . . . 0.0 110.758 -178.992 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 6' ' ' MET . . . . . . . . . . . . . 48.4 ttm -86.67 -15.39 39.78 Favored 'General case' 0 C--N 1.31 -1.112 0 CA-C-N 114.819 -1.082 . . . . 0.0 110.338 -178.564 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 7' ' ' TRP . . . . . . . . . . . . . 49.7 m0 -101.44 -176.46 3.15 Favored 'General case' 0 C--N 1.298 -1.663 0 CA-C-N 115.654 -0.703 . . . . 0.0 110.928 -179.516 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 8' ' ' THR . . . . . 0.557 ' HB ' ' O ' ' A' ' 23' ' ' LEU . 70.4 p -128.1 163.22 25.08 Favored 'General case' 0 C--N 1.302 -1.49 0 N-CA-C 108.942 -0.762 . . . . 0.0 108.942 -175.656 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 9' ' ' CYS . . . . . 0.564 ' HB2' ' O ' ' A' ' 13' ' ' ARG . 31.9 p -130.59 175.1 9.28 Favored 'General case' 0 C--O 1.244 0.77 0 C-N-CA 118.314 -1.354 . . . . 0.0 110.881 178.888 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 18.3 m-20 -146.8 -158.22 0.89 Allowed 'General case' 0 CA--C 1.504 -0.79 0 N-CA-C 107.244 -1.391 . . . . 0.0 107.244 -176.618 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 20.6 m -65.04 -42.37 94.35 Favored 'General case' 0 C--N 1.311 -1.076 0 CA-C-O 120.767 0.317 . . . . 0.0 111.17 178.687 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 39.3 mm-40 -89.46 -54.32 4.14 Favored 'General case' 0 C--N 1.322 -0.611 0 C-N-CA 120.181 -0.608 . . . . 0.0 112.11 -179.528 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 13' ' ' ARG . . . . . 0.564 ' O ' ' HB2' ' A' ' 9' ' ' CYS . 83.9 mtm180 -62.23 122.63 16.1 Favored 'General case' 0 N--CA 1.474 0.741 0 N-CA-C 111.613 0.227 . . . . 0.0 111.613 -179.362 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 22.4 ptmt -104.84 144.94 31.08 Favored 'General case' 0 C--N 1.319 -0.726 0 CA-C-N 116.036 -0.529 . . . . 0.0 110.722 -178.816 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 15' ' ' CYS . . . . . 0.538 ' HA ' ' HB2' ' A' ' 3' ' ' GLN . 57.5 m -79.7 164.86 23.4 Favored 'General case' 0 C--N 1.308 -1.206 0 N-CA-C 109.666 -0.494 . . . . 0.0 109.666 178.32 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 60.7 m -66.25 153.71 41.82 Favored 'General case' 0 C--N 1.295 -1.797 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.088 177.1 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 58.1 tptt -56.25 119.33 5.79 Favored 'General case' 0 C--O 1.24 0.578 0 C-N-CA 123.111 0.565 . . . . 0.0 110.42 179.607 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 106.73 14.55 19.19 Favored Glycine 0 N--CA 1.436 -1.339 0 C-N-CA 120.564 -0.827 . . . . 0.0 111.298 -178.558 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 19' ' ' MET . . . . . . . . . . . . . 65.1 mtt -129.06 158.68 38.25 Favored 'General case' 0 C--N 1.311 -1.081 0 N-CA-C 109.087 -0.708 . . . . 0.0 109.087 176.728 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 33.2 m -106.44 143.4 17.36 Favored 'Isoleucine or valine' 0 C--N 1.305 -1.347 0 N-CA-C 108.441 -0.948 . . . . 0.0 108.441 176.963 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 13.8 t -89.81 138.58 31.36 Favored 'General case' 0 C--N 1.293 -1.878 0 N-CA-C 109.395 -0.594 . . . . 0.0 109.395 -177.342 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 22' ' ' ARG . . . . . 0.533 ' HG2' ' H ' ' A' ' 23' ' ' LEU . 70.6 ttt180 -171.25 -171.4 0.95 Allowed 'General case' 0 C--O 1.27 2.155 0 N-CA-C 105.875 -1.898 . . . . 0.0 105.875 -179.063 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 23' ' ' LEU . . . . . 0.557 ' O ' ' HB ' ' A' ' 8' ' ' THR . 92.4 mt -48.39 -25.69 1.73 Allowed 'General case' 0 C--O 1.213 -0.822 0 C-N-CA 123.537 0.735 . . . . 0.0 111.632 175.119 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 24' ' ' TRP . . . . . 0.534 ' HA ' ' HA ' ' A' ' 8' ' ' THR . 18.1 p90 -138.92 159.59 41.76 Favored 'General case' 0 N--CA 1.426 -1.653 0 N-CA-C 106.982 -1.488 . . . . 0.0 106.982 172.872 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 88.7 m -87.51 125.13 34.14 Favored 'General case' 0 C--N 1.315 -0.898 0 CA-C-N 118.331 0.514 . . . . 0.0 110.215 177.966 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 40.2 ttpt -118.26 141.28 48.68 Favored 'General case' 0 C--N 1.302 -1.461 0 N-CA-C 109.103 -0.703 . . . . 0.0 109.103 -177.251 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 95.3 mttt . . . . . 0 C--N 1.311 -1.081 0 CA-C-O 121.236 0.541 . . . . 0.0 110.587 -178.993 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' A' A ' 3' ' ' GLN . . . . . 0.511 ' OE1' ' HA ' ' A' ' 9' ' ' CYS . 5.4 mt-30 . . . . . 0 N--CA 1.433 -1.3 0 CA-C-O 121.633 0.73 . . . . 0.0 112.25 . . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 92.3 mttt -78.66 163.91 25.05 Favored 'General case' 0 C--N 1.314 -0.963 0 CA-C-N 113.807 -1.542 . . . . 0.0 110.438 -176.266 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 5' ' ' TRP . . . . . . . . . . . . . 13.6 p-90 -58.25 -27.87 64.38 Favored 'General case' 0 N--CA 1.482 1.163 0 C-N-CA 123.459 0.704 . . . . 0.0 111.728 -176.177 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 6' ' ' MET . . . . . . . . . . . . . 49.6 ttm -79.54 -13.77 59.31 Favored 'General case' 0 C--N 1.313 -1.01 0 CA-C-O 121.506 0.669 . . . . 0.0 111.099 -177.23 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 7' ' ' TRP . . . . . 0.428 ' CE3' ' HA ' ' A' ' 3' ' ' GLN . 41.9 m0 -96.89 -174.08 2.88 Favored 'General case' 0 C--N 1.294 -1.811 0 CA-C-N 115.725 -0.67 . . . . 0.0 109.862 -177.601 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 8' ' ' THR . . . . . 0.552 HG22 ' HA ' ' A' ' 24' ' ' TRP . 34.0 p -131.0 156.23 45.47 Favored 'General case' 0 C--N 1.295 -1.784 0 N-CA-C 106.829 -1.545 . . . . 0.0 106.829 179.53 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 9' ' ' CYS . . . . . 0.593 ' HB2' ' O ' ' A' ' 13' ' ' ARG . 31.9 p -120.47 170.26 9.55 Favored 'General case' 0 CA--C 1.504 -0.795 0 C-N-CA 116.98 -1.888 . . . . 0.0 112.184 -179.011 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 4.3 p30 -132.82 -160.0 1.01 Allowed 'General case' 0 C--N 1.309 -1.189 0 N-CA-C 107.374 -1.343 . . . . 0.0 107.374 179.563 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 50.3 p -74.76 -40.95 60.91 Favored 'General case' 0 C--N 1.308 -1.215 0 CA-C-N 118.385 0.539 . . . . 0.0 111.267 -178.622 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 12.7 mm-40 -82.49 -44.7 15.64 Favored 'General case' 0 N--CA 1.434 -1.271 0 CA-C-N 115.634 -0.712 . . . . 0.0 109.133 -173.497 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 13' ' ' ARG . . . . . 0.593 ' O ' ' HB2' ' A' ' 9' ' ' CYS . 5.2 mmp_? -98.61 115.89 29.64 Favored 'General case' 0 CA--C 1.492 -1.275 0 CA-C-N 115.664 -0.698 . . . . 0.0 110.135 177.052 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 14' ' ' LYS . . . . . 0.436 ' HA ' ' SG ' ' A' ' 21' ' ' CYS . 57.7 mttp -105.85 157.16 17.67 Favored 'General case' 0 C--N 1.293 -1.872 0 O-C-N 123.66 0.6 . . . . 0.0 110.839 -179.73 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 15' ' ' CYS . . . . . 0.486 ' HA ' ' HB2' ' A' ' 3' ' ' GLN . 60.1 m -76.6 159.92 29.87 Favored 'General case' 0 C--O 1.248 0.996 0 CA-C-N 116.597 -0.274 . . . . 0.0 110.294 177.906 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 16' ' ' CYS . . . . . 0.412 ' O ' ' HB2' ' A' ' 19' ' ' MET . 85.8 m -65.14 165.86 10.6 Favored 'General case' 0 C--N 1.305 -1.352 0 N-CA-C 113.488 0.922 . . . . 0.0 113.488 -179.287 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 39.7 ttmt -64.92 141.1 58.89 Favored 'General case' 0 C--N 1.32 -0.685 0 CA-C-N 115.056 -0.974 . . . . 0.0 109.382 177.219 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 92.52 -3.56 75.37 Favored Glycine 0 N--CA 1.435 -1.401 0 N-CA-C 109.372 -1.491 . . . . 0.0 109.372 -175.654 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 19' ' ' MET . . . . . 0.412 ' HB2' ' O ' ' A' ' 16' ' ' CYS . 60.4 mtt -129.26 154.9 46.37 Favored 'General case' 0 N--CA 1.428 -1.57 0 N-CA-C 108.273 -1.01 . . . . 0.0 108.273 178.704 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 7.4 p -106.58 132.01 54.91 Favored 'Isoleucine or valine' 0 C--N 1.281 -2.372 0 N-CA-C 108.232 -1.025 . . . . 0.0 108.232 178.558 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 21' ' ' CYS . . . . . 0.436 ' SG ' ' HA ' ' A' ' 14' ' ' LYS . 35.2 t -76.08 110.75 10.82 Favored 'General case' 0 N--CA 1.427 -1.617 0 N-CA-C 108.129 -1.063 . . . . 0.0 108.129 179.771 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 22' ' ' ARG . . . . . 0.488 ' HB3' ' H ' ' A' ' 23' ' ' LEU . 21.1 mmm180 -140.39 -161.86 1.26 Allowed 'General case' 0 C--O 1.287 3.03 0 CA-C-N 115.58 -0.737 . . . . 0.0 110.207 -178.776 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 23' ' ' LEU . . . . . 0.488 ' H ' ' HB3' ' A' ' 22' ' ' ARG . 55.0 tp -52.09 -39.63 60.06 Favored 'General case' 0 CA--C 1.512 -0.486 0 CA-C-N 113.641 -1.618 . . . . 0.0 107.792 177.876 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 24' ' ' TRP . . . . . 0.552 ' HA ' HG22 ' A' ' 8' ' ' THR . 36.1 p90 -130.55 165.49 22.62 Favored 'General case' 0 N--CA 1.417 -2.114 0 N-CA-C 107.403 -1.332 . . . . 0.0 107.403 171.311 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 99.4 m -76.59 115.48 16.38 Favored 'General case' 0 C--N 1.31 -1.112 0 CA-C-O 121.593 0.711 . . . . 0.0 109.654 176.348 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 52.8 tttm -114.92 129.51 56.72 Favored 'General case' 0 N--CA 1.415 -2.217 0 CA-C-N 115.255 -0.884 . . . . 0.0 109.567 -175.387 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 8.5 mtpm? . . . . . 0 N--CA 1.44 -0.943 0 N-CA-C 108.783 -0.821 . . . . 0.0 108.783 174.92 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' A' A ' 3' ' ' GLN . . . . . 0.485 ' HB2' ' HA ' ' A' ' 15' ' ' CYS . 15.3 mm100 . . . . . 0 N--CA 1.438 -1.049 0 N-CA-C 106.717 -1.586 . . . . 0.0 106.717 . . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 97.0 mttt -91.5 172.18 8.69 Favored 'General case' 0 C--N 1.3 -1.555 0 CA-C-O 120.804 0.335 . . . . 0.0 111.059 -178.229 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 5' ' ' TRP . . . . . . . . . . . . . 46.3 p90 -62.66 -26.4 68.62 Favored 'General case' 0 C--N 1.317 -0.829 0 C-N-CA 124.665 1.186 . . . . 0.0 110.553 178.868 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 6' ' ' MET . . . . . . . . . . . . . 25.5 ttt -77.58 -25.15 49.73 Favored 'General case' 0 C--N 1.312 -1.028 0 CA-C-N 114.871 -1.059 . . . . 0.0 109.909 179.689 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 7' ' ' TRP . . . . . 0.418 ' CE3' ' HA ' ' A' ' 3' ' ' GLN . 28.9 m0 -94.52 -176.87 4.05 Favored 'General case' 0 C--N 1.292 -1.909 0 CA-C-N 115.01 -0.996 . . . . 0.0 109.809 -174.048 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 8' ' ' THR . . . . . 0.584 HG22 ' HA ' ' A' ' 24' ' ' TRP . 47.3 p -127.6 172.3 10.87 Favored 'General case' 0 C--N 1.29 -1.984 0 N-CA-C 106.653 -1.61 . . . . 0.0 106.653 -179.768 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 9' ' ' CYS . . . . . 0.595 ' HB3' ' SG ' ' A' ' 15' ' ' CYS . 18.5 p -119.63 179.23 4.29 Favored 'General case' 0 N--CA 1.448 -0.546 0 C-N-CA 115.989 -2.284 . . . . 0.0 111.645 177.583 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 10' ' ' ASP . . . . . 0.407 ' CG ' ' H ' ' A' ' 11' ' ' SER . 31.7 t70 -143.01 -166.06 2.21 Favored 'General case' 0 C--N 1.3 -1.587 0 N-CA-C 105.733 -1.951 . . . . 0.0 105.733 -176.266 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 11' ' ' SER . . . . . 0.407 ' H ' ' CG ' ' A' ' 10' ' ' ASP . 14.3 p -78.69 -37.81 40.77 Favored 'General case' 0 C--N 1.293 -1.881 0 N-CA-C 108.184 -1.043 . . . . 0.0 108.184 176.097 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 27.8 mm-40 -86.63 -50.06 7.07 Favored 'General case' 0 N--CA 1.439 -1.013 0 CA-C-N 115.726 -0.67 . . . . 0.0 111.147 178.456 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 13' ' ' ARG . . . . . 0.505 ' O ' ' HB2' ' A' ' 9' ' ' CYS . 5.9 mmp_? -77.24 111.01 12.43 Favored 'General case' 0 C--O 1.21 -0.999 0 N-CA-C 108.31 -0.996 . . . . 0.0 108.31 176.689 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 62.4 pttt -106.65 149.34 27.32 Favored 'General case' 0 C--N 1.277 -2.563 0 C-N-CA 120.578 -0.449 . . . . 0.0 112.121 -179.553 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 15' ' ' CYS . . . . . 0.719 ' SG ' ' HA ' ' A' ' 21' ' ' CYS . 61.4 m -70.67 160.44 32.6 Favored 'General case' 0 C--N 1.321 -0.671 0 CA-C-N 116.017 -0.538 . . . . 0.0 109.801 178.022 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 3.1 t -74.34 174.78 8.37 Favored 'General case' 0 C--N 1.314 -0.938 0 CA-C-O 121.105 0.478 . . . . 0.0 111.001 -175.483 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 66.7 tttm -68.1 126.26 28.96 Favored 'General case' 0 N--CA 1.44 -0.929 0 CA-C-N 115.791 -0.64 . . . . 0.0 109.486 179.059 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 96.0 10.3 56.37 Favored Glycine 0 C--N 1.309 -0.931 0 N-CA-C 110.459 -1.056 . . . . 0.0 110.459 -177.585 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 19' ' ' MET . . . . . . . . . . . . . 67.1 mtt -122.13 159.2 27.68 Favored 'General case' 0 N--CA 1.433 -1.299 0 CA-C-N 115.008 -0.596 . . . . 0.0 109.477 177.292 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 72.5 t -105.86 123.69 60.54 Favored 'Isoleucine or valine' 0 C--N 1.292 -1.908 0 N-CA-C 107.352 -1.351 . . . . 0.0 107.352 177.615 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 21' ' ' CYS . . . . . 0.719 ' HA ' ' SG ' ' A' ' 15' ' ' CYS . 34.6 t -76.5 107.46 8.79 Favored 'General case' 0 CA--C 1.501 -0.918 0 N-CA-C 107.538 -1.282 . . . . 0.0 107.538 178.407 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 22' ' ' ARG . . . . . 0.443 ' HG2' ' H ' ' A' ' 23' ' ' LEU . 56.3 ttt180 -142.73 -170.19 3.16 Favored 'General case' 0 N--CA 1.401 -2.919 0 N-CA-C 108.102 -1.073 . . . . 0.0 108.102 -173.308 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 23' ' ' LEU . . . . . 0.447 HD22 ' H ' ' A' ' 23' ' ' LEU . 2.9 mm? -55.2 -18.11 5.42 Favored 'General case' 0 N--CA 1.472 0.637 0 C-N-CA 124.183 0.993 . . . . 0.0 110.668 177.46 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 24' ' ' TRP . . . . . 0.584 ' HA ' HG22 ' A' ' 8' ' ' THR . 14.7 p90 -147.17 157.75 43.71 Favored 'General case' 0 N--CA 1.416 -2.126 0 N-CA-C 105.752 -1.944 . . . . 0.0 105.752 170.967 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 61.3 m -82.66 114.24 20.9 Favored 'General case' 0 CA--C 1.492 -1.266 0 CA-C-N 118.933 0.788 . . . . 0.0 110.695 178.644 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 86.7 tttt -110.34 118.24 35.79 Favored 'General case' 0 N--CA 1.412 -2.37 0 CA-C-N 115.524 -0.762 . . . . 0.0 110.739 -177.069 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 22.0 pttp . . . . . 0 C--N 1.308 -1.206 0 N-CA-C 108.695 -0.854 . . . . 0.0 108.695 175.018 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' A' A ' 3' ' ' GLN . . . . . 0.452 ' HG2' ' O ' ' A' ' 14' ' ' LYS . 10.3 mm100 . . . . . 0 CA--C 1.508 -0.644 0 N-CA-C 109.701 -0.481 . . . . 0.0 109.701 . . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 95.3 mttt -94.42 176.59 6.24 Favored 'General case' 0 C--N 1.306 -1.305 0 CA-C-N 115.515 -0.766 . . . . 0.0 110.828 -179.189 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 5' ' ' TRP . . . . . . . . . . . . . 44.7 p90 -63.24 -23.84 67.6 Favored 'General case' 0 N--CA 1.478 0.955 0 C-N-CA 124.665 1.186 . . . . 0.0 110.772 178.388 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 6' ' ' MET . . . . . . . . . . . . . 39.0 ttm -81.36 -21.65 38.96 Favored 'General case' 0 C--N 1.308 -1.201 0 CA-C-N 114.851 -1.068 . . . . 0.0 110.383 178.387 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 7' ' ' TRP . . . . . . . . . . . . . 17.7 m0 -96.67 -176.55 3.63 Favored 'General case' 0 C--N 1.295 -1.79 0 CA-C-N 114.919 -1.037 . . . . 0.0 110.525 -171.375 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 8' ' ' THR . . . . . 0.511 ' HB ' ' O ' ' A' ' 23' ' ' LEU . 71.3 p -128.22 167.79 16.37 Favored 'General case' 0 C--N 1.302 -1.477 0 N-CA-C 107.711 -1.218 . . . . 0.0 107.711 178.921 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 26.4 p -133.91 -178.5 5.05 Favored 'General case' 0 C--O 1.253 1.283 0 C-N-CA 117.541 -1.663 . . . . 0.0 111.834 177.019 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 17.7 t70 -157.95 -165.35 1.71 Allowed 'General case' 0 C--N 1.309 -1.153 0 N-CA-C 105.444 -2.058 . . . . 0.0 105.444 -175.812 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 19.5 m -80.74 -26.5 37.33 Favored 'General case' 0 C--N 1.306 -1.284 0 N-CA-C 108.421 -0.955 . . . . 0.0 108.421 177.57 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 45.3 mt-10 -83.18 -57.59 3.21 Favored 'General case' 0 N--CA 1.442 -0.835 0 CA-C-N 115.143 -0.935 . . . . 0.0 109.51 177.109 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 13' ' ' ARG . . . . . 0.408 ' HA ' ' NE ' ' A' ' 13' ' ' ARG . 4.6 mmp_? -71.75 112.02 7.51 Favored 'General case' 0 CA--C 1.509 -0.625 0 N-CA-C 109.753 -0.462 . . . . 0.0 109.753 177.544 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 14' ' ' LYS . . . . . 0.59 ' H ' ' HD3' ' A' ' 14' ' ' LYS . 0.0 OUTLIER -88.85 132.3 34.72 Favored 'General case' 0 C--N 1.3 -1.551 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.176 -177.596 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 15' ' ' CYS . . . . . 0.444 ' HA ' ' HB2' ' A' ' 3' ' ' GLN . 8.2 t -92.48 157.64 16.45 Favored 'General case' 0 C--N 1.295 -1.774 0 N-CA-C 108.365 -0.976 . . . . 0.0 108.365 -177.7 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 75.3 m -72.47 149.59 44.04 Favored 'General case' 0 C--N 1.306 -1.307 0 CA-C-O 121.324 0.583 . . . . 0.0 112.124 -176.235 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 99.0 mttt -71.18 131.5 43.63 Favored 'General case' 0 N--CA 1.434 -1.254 0 N-CA-C 107.634 -1.247 . . . . 0.0 107.634 175.073 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 107.05 2.3 36.15 Favored Glycine 0 C--N 1.287 -2.152 0 N-CA-C 108.655 -1.778 . . . . 0.0 108.655 -171.721 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 19' ' ' MET . . . . . 0.434 ' HG2' ' HA ' ' A' ' 27' ' ' LYS . 65.4 mtt -131.29 159.24 38.43 Favored 'General case' 0 CA--C 1.498 -1.04 0 N-CA-C 107.426 -1.324 . . . . 0.0 107.426 175.76 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 65.4 t -106.16 125.4 61.8 Favored 'Isoleucine or valine' 0 C--N 1.287 -2.15 0 N-CA-C 107.237 -1.394 . . . . 0.0 107.237 177.28 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 27.5 t -80.25 136.32 36.43 Favored 'General case' 0 N--CA 1.429 -1.493 0 N-CA-C 108.612 -0.884 . . . . 0.0 108.612 -178.343 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 22' ' ' ARG . . . . . 0.438 ' HG2' ' H ' ' A' ' 23' ' ' LEU . 57.6 ttt180 -167.52 -167.32 0.87 Allowed 'General case' 0 C--O 1.279 2.613 0 N-CA-C 106.526 -1.657 . . . . 0.0 106.526 -175.289 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 23' ' ' LEU . . . . . 0.511 ' O ' ' HB ' ' A' ' 8' ' ' THR . 6.5 mp -54.64 -23.46 17.25 Favored 'General case' 0 N--CA 1.474 0.763 0 C-N-CA 122.695 0.398 . . . . 0.0 110.156 176.03 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 24' ' ' TRP . . . . . 0.49 ' HA ' ' HA ' ' A' ' 8' ' ' THR . 9.3 p90 -138.09 162.16 34.91 Favored 'General case' 0 N--CA 1.423 -1.811 0 N-CA-C 106.457 -1.682 . . . . 0.0 106.457 174.063 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 14.7 m -92.5 131.95 37.22 Favored 'General case' 0 C--N 1.307 -1.241 0 CA-C-N 118.68 0.673 . . . . 0.0 110.427 176.29 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 86.5 tttt -130.07 122.13 27.73 Favored 'General case' 0 N--CA 1.42 -1.932 0 CA-C-N 116.24 -0.436 . . . . 0.0 109.965 -179.445 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 27' ' ' LYS . . . . . 0.434 ' HA ' ' HG2' ' A' ' 19' ' ' MET . 13.7 ptmm? . . . . . 0 C--N 1.308 -1.226 0 CA-C-O 121.394 0.616 . . . . 0.0 111.427 -176.724 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 3' ' ' GLN . . . . . 0.487 ' HB2' ' HA ' ' A' ' 15' ' ' CYS . 15.5 mm100 . . . . . 0 N--CA 1.433 -1.312 0 N-CA-C 106.493 -1.669 . . . . 0.0 106.493 . . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 93.2 mttt -80.82 165.54 21.78 Favored 'General case' 0 C--N 1.308 -1.203 0 CA-C-N 115.393 -0.821 . . . . 0.0 111.053 -175.216 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 5' ' ' TRP . . . . . . . . . . . . . 42.9 p90 -55.88 -26.86 49.17 Favored 'General case' 0 N--CA 1.479 1.011 0 C-N-CA 125.713 1.605 . . . . 0.0 110.853 176.636 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 6' ' ' MET . . . . . . . . . . . . . 25.5 ttt -66.17 -27.05 67.72 Favored 'General case' 0 C--N 1.316 -0.882 0 CA-C-N 114.525 -1.216 . . . . 0.0 110.925 179.003 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 7' ' ' TRP . . . . . . . . . . . . . 19.9 m0 -108.05 -168.95 1.43 Allowed 'General case' 0 C--N 1.304 -1.372 0 CA-C-N 115.852 -0.613 . . . . 0.0 110.057 -175.862 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 8' ' ' THR . . . . . 0.567 ' HA ' ' HA ' ' A' ' 24' ' ' TRP . 45.4 p -125.68 163.06 23.63 Favored 'General case' 0 C--N 1.304 -1.403 0 N-CA-C 108.953 -0.758 . . . . 0.0 108.953 -177.598 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 9' ' ' CYS . . . . . 0.686 ' HB2' ' O ' ' A' ' 13' ' ' ARG . 19.8 p -128.36 177.99 6.58 Favored 'General case' 0 C--O 1.248 1.017 0 C-N-CA 117.328 -1.749 . . . . 0.0 110.392 177.729 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 7.5 t70 -147.48 -161.42 1.33 Allowed 'General case' 0 C--N 1.31 -1.148 0 N-CA-C 105.134 -2.172 . . . . 0.0 105.134 178.526 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 76.2 p -79.71 -19.8 48.01 Favored 'General case' 0 C--N 1.315 -0.924 0 CA-C-N 120.295 1.407 . . . . 0.0 109.708 178.209 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 45.4 mt-10 -82.16 -64.66 1.13 Allowed 'General case' 0 N--CA 1.443 -0.798 0 CA-C-N 115.019 -0.991 . . . . 0.0 110.289 178.879 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 13' ' ' ARG . . . . . 0.686 ' O ' ' HB2' ' A' ' 9' ' ' CYS . 80.4 mtm180 -84.65 116.2 23.07 Favored 'General case' 0 C--O 1.206 -1.21 0 N-CA-C 108.405 -0.961 . . . . 0.0 108.405 175.335 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 49.5 mtmt -105.11 150.19 25.23 Favored 'General case' 0 C--N 1.309 -1.163 0 N-CA-C 109.257 -0.645 . . . . 0.0 109.257 -179.766 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 15' ' ' CYS . . . . . 0.487 ' HA ' ' HB2' ' A' ' 3' ' ' GLN . 13.7 m -79.64 147.67 31.93 Favored 'General case' 0 C--N 1.311 -1.099 0 N-CA-C 107.957 -1.127 . . . . 0.0 107.957 176.156 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 67.6 m -72.7 162.33 29.61 Favored 'General case' 0 C--N 1.313 -0.993 0 C-N-CA 120.202 -0.599 . . . . 0.0 111.64 177.749 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 60.9 tttm -53.42 133.86 40.4 Favored 'General case' 0 N--CA 1.453 -0.323 0 C-N-CA 124.282 1.033 . . . . 0.0 111.16 -178.233 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 111.14 -18.33 26.01 Favored Glycine 0 C--N 1.307 -1.083 0 N-CA-C 108.715 -1.754 . . . . 0.0 108.715 -175.924 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 19' ' ' MET . . . . . . . . . . . . . 51.3 mtm -124.63 147.92 48.23 Favored 'General case' 0 N--CA 1.427 -1.604 0 N-CA-C 107.705 -1.22 . . . . 0.0 107.705 175.985 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 8.9 p -106.47 133.03 52.17 Favored 'Isoleucine or valine' 0 C--N 1.291 -1.95 0 N-CA-C 108.128 -1.064 . . . . 0.0 108.128 -179.37 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 21' ' ' CYS . . . . . 0.416 ' HA ' ' SG ' ' A' ' 15' ' ' CYS . 11.4 t -71.53 120.44 17.12 Favored 'General case' 0 N--CA 1.431 -1.411 0 CA-C-N 115.677 -0.692 . . . . 0.0 109.271 -177.707 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 22' ' ' ARG . . . . . 0.498 ' HG3' ' H ' ' A' ' 23' ' ' LEU . 22.2 tpt180 -149.77 -174.52 4.72 Favored 'General case' 0 C--O 1.286 3.017 0 N-CA-C 107.052 -1.462 . . . . 0.0 107.052 -175.913 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 23' ' ' LEU . . . . . 0.498 ' H ' ' HG3' ' A' ' 22' ' ' ARG . 74.3 mt -49.34 -28.2 4.72 Favored 'General case' 0 N--CA 1.47 0.554 0 C-N-CA 123.867 0.867 . . . . 0.0 110.407 175.909 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 24' ' ' TRP . . . . . 0.567 ' HA ' ' HA ' ' A' ' 8' ' ' THR . 12.6 p90 -138.07 158.63 43.94 Favored 'General case' 0 N--CA 1.422 -1.848 0 N-CA-C 105.41 -2.07 . . . . 0.0 105.41 171.158 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 67.0 m -74.89 114.26 13.14 Favored 'General case' 0 C--N 1.31 -1.127 0 C-N-CA 119.35 -0.94 . . . . 0.0 109.635 176.683 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 60.1 tttp -110.7 146.54 36.08 Favored 'General case' 0 C--N 1.298 -1.659 0 N-CA-C 108.999 -0.741 . . . . 0.0 108.999 -177.54 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 90.8 mttt . . . . . 0 C--N 1.304 -1.38 0 N-CA-C 109.339 -0.615 . . . . 0.0 109.339 177.145 . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' A' A ' 3' ' ' GLN . . . . . 0.563 ' N ' ' HG ' ' A' ' 16' ' ' CYS . 15.3 mm100 . . . . . 0 N--CA 1.432 -1.337 0 N-CA-C 109.805 -0.443 . . . . 0.0 109.805 . . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 97.0 mttt -94.94 166.11 12.12 Favored 'General case' 0 C--N 1.307 -1.265 0 N-CA-C 108.648 -0.871 . . . . 0.0 108.648 176.725 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 5' ' ' TRP . . . . . . . . . . . . . 19.4 p-90 -68.33 -19.7 64.68 Favored 'General case' 0 N--CA 1.487 1.395 0 CA-C-O 122.263 1.03 . . . . 0.0 110.155 -177.142 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 6' ' ' MET . . . . . 0.476 ' HG3' ' CD1' ' A' ' 7' ' ' TRP . 23.3 ptp -79.09 -7.98 58.59 Favored 'General case' 0 C--N 1.309 -1.166 0 CA-C-N 114.623 -1.171 . . . . 0.0 110.282 -179.834 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 7' ' ' TRP . . . . . 0.476 ' CD1' ' HG3' ' A' ' 6' ' ' MET . 43.1 m0 -112.93 -175.27 2.63 Favored 'General case' 0 N--CA 1.443 -0.788 0 N-CA-C 109.051 -0.722 . . . . 0.0 109.051 -179.887 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 8' ' ' THR . . . . . 0.596 ' HA ' ' HA ' ' A' ' 24' ' ' TRP . 31.4 p -125.32 167.61 14.67 Favored 'General case' 0 C--N 1.299 -1.627 0 CA-C-O 119.044 -0.503 . . . . 0.0 110.432 -176.099 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 9' ' ' CYS . . . . . 0.512 ' HB2' ' O ' ' A' ' 13' ' ' ARG . 28.7 p -133.77 177.26 7.85 Favored 'General case' 0 C--O 1.245 0.862 0 C-N-CA 118.046 -1.461 . . . . 0.0 110.23 174.329 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 14.0 m-20 -148.58 -170.47 3.62 Favored 'General case' 0 CA--C 1.497 -1.069 0 N-CA-C 108.243 -1.021 . . . . 0.0 108.243 -173.686 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 8.6 m -72.79 -26.08 61.39 Favored 'General case' 0 C--N 1.312 -1.03 0 N-CA-C 108.184 -1.043 . . . . 0.0 108.184 174.756 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 20.4 mm-40 -86.65 -51.22 6.26 Favored 'General case' 0 N--CA 1.447 -0.602 0 CA-C-N 114.927 -1.033 . . . . 0.0 110.192 178.708 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 13' ' ' ARG . . . . . 0.512 ' O ' ' HB2' ' A' ' 9' ' ' CYS . 68.7 mtm180 -87.83 111.93 21.93 Favored 'General case' 0 C--N 1.311 -1.071 0 CA-C-N 115.945 -0.57 . . . . 0.0 110.348 -178.642 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 21.6 ptmt -79.43 144.24 34.27 Favored 'General case' 0 C--N 1.303 -1.446 0 N-CA-C 109.654 -0.498 . . . . 0.0 109.654 178.509 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 15' ' ' CYS . . . . . 0.507 ' HB2' ' SG ' ' A' ' 9' ' ' CYS . 14.0 t -95.01 165.66 12.33 Favored 'General case' 0 C--N 1.292 -1.913 0 N-CA-C 107.415 -1.328 . . . . 0.0 107.415 175.754 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 16' ' ' CYS . . . . . 0.563 ' HG ' ' N ' ' A' ' 3' ' ' GLN . 81.0 m -90.52 149.77 22.04 Favored 'General case' 0 C--N 1.296 -1.741 0 CA-C-O 121.009 0.433 . . . . 0.0 112.032 -178.171 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -59.89 139.07 57.62 Favored 'General case' 0 C--O 1.242 0.661 0 CA-C-N 115.771 -0.649 . . . . 0.0 110.583 177.941 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 111.97 -15.86 25.78 Favored Glycine 0 C--N 1.303 -1.257 0 N-CA-C 108.369 -1.893 . . . . 0.0 108.369 -172.89 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 19' ' ' MET . . . . . 0.441 ' HG2' ' HA ' ' A' ' 27' ' ' LYS . 65.4 mtt -124.74 162.65 23.78 Favored 'General case' 0 N--CA 1.421 -1.884 0 CA-C-N 113.892 -1.154 . . . . 0.0 108.942 177.538 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 58.7 t -106.61 119.54 56.27 Favored 'Isoleucine or valine' 0 C--N 1.275 -2.646 0 N-CA-C 106.834 -1.543 . . . . 0.0 106.834 176.839 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 38.4 t -77.36 106.66 9.24 Favored 'General case' 0 C--N 1.301 -1.524 0 CA-C-N 115.417 -0.811 . . . . 0.0 110.448 -176.067 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 3.4 mmp_? -136.75 -152.17 0.44 Allowed 'General case' 0 C--O 1.281 2.756 0 N-CA-C 108.48 -0.933 . . . . 0.0 108.48 178.014 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 97.2 mt -58.87 -27.86 65.57 Favored 'General case' 0 CA--C 1.503 -0.844 0 CA-C-N 114.087 -1.415 . . . . 0.0 108.943 178.149 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 24' ' ' TRP . . . . . 0.596 ' HA ' ' HA ' ' A' ' 8' ' ' THR . 28.9 p90 -137.93 167.31 22.02 Favored 'General case' 0 N--CA 1.415 -2.204 0 N-CA-C 107.109 -1.441 . . . . 0.0 107.109 169.748 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 54.7 m -85.57 113.06 21.52 Favored 'General case' 0 C--N 1.3 -1.563 0 C-N-CA 120.055 -0.658 . . . . 0.0 110.014 176.344 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 40.1 ttmt -100.49 118.05 35.91 Favored 'General case' 0 N--CA 1.424 -1.758 0 N-CA-C 108.115 -1.069 . . . . 0.0 108.115 -179.342 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 27' ' ' LYS . . . . . 0.441 ' HA ' ' HG2' ' A' ' 19' ' ' MET . 59.9 pttt . . . . . 0 C--N 1.293 -1.87 0 C-N-CA 120.298 -0.561 . . . . 0.0 110.112 -179.378 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 3' ' ' GLN . . . . . 0.455 ' HB2' ' HA ' ' A' ' 15' ' ' CYS . 13.1 mm100 . . . . . 0 CA--C 1.517 -0.291 0 CA-C-O 121.015 0.436 . . . . 0.0 110.848 . . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 7.7 mtpm? -92.07 159.15 15.83 Favored 'General case' 0 C--N 1.307 -1.255 0 N-CA-C 108.384 -0.969 . . . . 0.0 108.384 179.18 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 5' ' ' TRP . . . . . . . . . . . . . 18.0 p90 -67.34 -22.38 65.6 Favored 'General case' 0 N--CA 1.483 1.213 0 CA-C-O 121.075 0.464 . . . . 0.0 111.567 -174.906 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 6' ' ' MET . . . . . . . . . . . . . 27.5 ttt -82.25 -16.4 49.67 Favored 'General case' 0 C--N 1.312 -1.036 0 CA-C-O 121.715 0.769 . . . . 0.0 110.21 179.435 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 7' ' ' TRP . . . . . . . . . . . . . 46.6 m0 -86.64 -170.47 3.09 Favored 'General case' 0 C--N 1.299 -1.593 0 CA-C-N 115.594 -0.73 . . . . 0.0 110.175 179.392 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 8' ' ' THR . . . . . 0.627 ' HB ' ' O ' ' A' ' 23' ' ' LEU . 61.6 p -126.46 167.32 15.74 Favored 'General case' 0 C--N 1.297 -1.711 0 N-CA-C 107.811 -1.181 . . . . 0.0 107.811 178.71 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 9' ' ' CYS . . . . . 0.518 ' SG ' ' HB2' ' A' ' 15' ' ' CYS . 26.6 p -137.81 -178.13 5.11 Favored 'General case' 0 N--CA 1.434 -1.261 0 C-N-CA 118.515 -1.274 . . . . 0.0 111.028 176.327 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 19.6 m-20 -141.18 -165.65 2.01 Favored 'General case' 0 C--N 1.307 -1.275 0 N-CA-C 107.13 -1.433 . . . . 0.0 107.13 -178.031 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 15.1 m -75.98 -29.92 58.4 Favored 'General case' 0 N--CA 1.431 -1.403 0 N-CA-C 107.179 -1.415 . . . . 0.0 107.179 168.967 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 36.9 mt-10 -77.5 -71.61 0.4 Allowed 'General case' 0 C--O 1.241 0.613 0 CA-C-N 114.742 -1.117 . . . . 0.0 109.021 178.594 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 13' ' ' ARG . . . . . 0.514 ' O ' ' HB2' ' A' ' 9' ' ' CYS . 67.8 mtm180 -66.69 118.75 10.69 Favored 'General case' 0 CA--C 1.503 -0.83 0 N-CA-C 108.24 -1.022 . . . . 0.0 108.24 177.488 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 7.4 ptpp? -104.86 129.35 53.21 Favored 'General case' 0 C--N 1.295 -1.799 0 CA-C-O 121.312 0.577 . . . . 0.0 111.505 -176.207 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 15' ' ' CYS . . . . . 0.518 ' HB2' ' SG ' ' A' ' 9' ' ' CYS . 5.2 t -86.29 160.7 19.06 Favored 'General case' 0 C--N 1.304 -1.403 0 CA-C-N 115.399 -0.819 . . . . 0.0 108.937 -177.497 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 16' ' ' CYS . . . . . 0.417 ' O ' ' HB2' ' A' ' 19' ' ' MET . 72.2 m -68.36 149.85 48.89 Favored 'General case' 0 C--N 1.307 -1.247 0 N-CA-C 113.387 0.884 . . . . 0.0 113.387 -174.151 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 55.1 mttp -72.55 135.46 45.61 Favored 'General case' 0 N--CA 1.429 -1.504 0 N-CA-C 107.401 -1.333 . . . . 0.0 107.401 173.624 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 103.05 2.05 48.58 Favored Glycine 0 C--N 1.287 -2.151 0 N-CA-C 107.93 -2.068 . . . . 0.0 107.93 -168.408 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 19' ' ' MET . . . . . 0.417 ' HB2' ' O ' ' A' ' 16' ' ' CYS . 62.7 mtt -136.07 163.51 30.15 Favored 'General case' 0 N--CA 1.432 -1.375 0 N-CA-C 106.932 -1.507 . . . . 0.0 106.932 175.281 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 59.4 t -105.92 123.83 60.73 Favored 'Isoleucine or valine' 0 C--N 1.284 -2.274 0 N-CA-C 107.099 -1.445 . . . . 0.0 107.099 178.422 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 19.0 t -91.4 115.28 27.9 Favored 'General case' 0 N--CA 1.425 -1.679 0 CA-C-N 115.821 -0.627 . . . . 0.0 109.323 -177.356 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 22' ' ' ARG . . . . . 0.562 ' HA ' ' NE ' ' A' ' 22' ' ' ARG . 1.8 mmp_? -143.52 -159.36 0.97 Allowed 'General case' 0 C--O 1.263 1.768 0 N-CA-C 108.035 -1.098 . . . . 0.0 108.035 177.956 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 23' ' ' LEU . . . . . 0.627 ' O ' ' HB ' ' A' ' 8' ' ' THR . 50.8 mt -54.33 -29.4 47.83 Favored 'General case' 0 C--O 1.219 -0.527 0 CA-C-N 115.242 -0.89 . . . . 0.0 109.83 175.275 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 24' ' ' TRP . . . . . 0.522 ' HA ' ' HA ' ' A' ' 8' ' ' THR . 24.5 p90 -133.02 160.9 35.82 Favored 'General case' 0 N--CA 1.423 -1.791 0 N-CA-C 107.115 -1.439 . . . . 0.0 107.115 174.122 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 66.6 m -86.51 141.75 28.84 Favored 'General case' 0 C--N 1.311 -1.078 0 C-N-CA 120.573 -0.451 . . . . 0.0 110.028 175.978 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 39.3 ttpt -135.41 144.0 46.28 Favored 'General case' 0 C--N 1.298 -1.644 0 N-CA-C 107.848 -1.167 . . . . 0.0 107.848 -178.174 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 23.8 pttm . . . . . 0 C--O 1.245 0.859 0 CA-C-O 121.261 0.553 . . . . 0.0 111.339 -179.596 . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' A' A ' 3' ' ' GLN . . . . . 0.54 ' HB2' ' HA ' ' A' ' 15' ' ' CYS . 15.2 mm100 . . . . . 0 N--CA 1.442 -0.857 0 CA-C-O 121.24 0.543 . . . . 0.0 112.231 . . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 66.0 mttm -87.44 171.67 10.38 Favored 'General case' 0 C--N 1.312 -1.049 0 CA-C-N 115.407 -0.815 . . . . 0.0 110.335 -178.71 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 5' ' ' TRP . . . . . . . . . . . . . 39.0 p90 -58.28 -29.39 65.78 Favored 'General case' 0 N--CA 1.477 0.889 0 C-N-CA 124.938 1.295 . . . . 0.0 111.019 -179.019 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 6' ' ' MET . . . . . 0.419 ' HG3' ' CD1' ' A' ' 7' ' ' TRP . 24.8 ptm -84.69 -8.0 59.02 Favored 'General case' 0 C--N 1.31 -1.124 0 CA-C-N 115.104 -0.953 . . . . 0.0 111.78 -177.157 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 7' ' ' TRP . . . . . 0.419 ' CD1' ' HG3' ' A' ' 6' ' ' MET . 47.7 m0 -110.08 -174.94 2.61 Favored 'General case' 0 C--N 1.31 -1.144 0 N-CA-C 109.606 -0.516 . . . . 0.0 109.606 -178.417 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 8' ' ' THR . . . . . 0.558 ' HA ' ' HA ' ' A' ' 24' ' ' TRP . 82.4 p -120.92 169.39 10.5 Favored 'General case' 0 C--N 1.295 -1.802 0 N-CA-C 108.319 -0.993 . . . . 0.0 108.319 -178.922 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 9' ' ' CYS . . . . . 0.665 ' HB2' ' O ' ' A' ' 13' ' ' ARG . 16.1 p -134.62 169.87 16.66 Favored 'General case' 0 N--CA 1.439 -1.001 0 C-N-CA 118.049 -1.46 . . . . 0.0 111.498 178.001 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 42.7 m-20 -141.97 -166.36 2.21 Favored 'General case' 0 C--N 1.313 -0.981 0 N-CA-C 105.835 -1.913 . . . . 0.0 105.835 -179.892 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 43.5 m -70.52 -23.01 62.56 Favored 'General case' 0 C--N 1.312 -1.044 0 CA-C-O 121.574 0.702 . . . . 0.0 109.555 174.518 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 26.7 mt-10 -84.95 -70.22 0.6 Allowed 'General case' 0 C--N 1.319 -0.735 0 CA-C-N 115.183 -0.917 . . . . 0.0 109.762 179.469 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 13' ' ' ARG . . . . . 0.665 ' O ' ' HB2' ' A' ' 9' ' ' CYS . 64.8 mtm180 -75.74 114.19 14.06 Favored 'General case' 0 C--O 1.202 -1.44 0 N-CA-C 108.132 -1.062 . . . . 0.0 108.132 178.62 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 21.5 ptmt -106.71 141.79 37.41 Favored 'General case' 0 C--N 1.305 -1.344 0 CA-C-N 118.905 0.775 . . . . 0.0 112.222 178.001 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 15' ' ' CYS . . . . . 0.568 ' SG ' ' HA ' ' A' ' 21' ' ' CYS . 59.2 m -65.94 150.65 48.29 Favored 'General case' 0 C--O 1.243 0.751 0 C-N-CA 122.817 0.447 . . . . 0.0 110.67 179.111 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 93.9 m -64.62 167.33 7.38 Favored 'General case' 0 C--N 1.309 -1.167 0 N-CA-C 112.732 0.642 . . . . 0.0 112.732 -179.797 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 12.6 mptt -70.26 131.24 43.89 Favored 'General case' 0 N--CA 1.435 -1.181 0 CA-C-O 121.359 0.6 . . . . 0.0 110.851 -177.448 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 100.14 6.29 53.84 Favored Glycine 0 N--CA 1.431 -1.659 0 N-CA-C 109.664 -1.374 . . . . 0.0 109.664 -175.948 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 19' ' ' MET . . . . . . . . . . . . . 63.9 mtt -123.64 159.45 29.29 Favored 'General case' 0 N--CA 1.429 -1.512 0 N-CA-C 109.576 -0.528 . . . . 0.0 109.576 179.027 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 59.6 t -105.81 126.76 61.17 Favored 'Isoleucine or valine' 0 C--N 1.289 -2.024 0 N-CA-C 107.053 -1.462 . . . . 0.0 107.053 179.863 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 21' ' ' CYS . . . . . 0.568 ' HA ' ' SG ' ' A' ' 15' ' ' CYS . 11.2 t -90.99 125.46 35.8 Favored 'General case' 0 C--N 1.305 -1.33 0 N-CA-C 109.269 -0.641 . . . . 0.0 109.269 -176.084 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 22' ' ' ARG . . . . . 0.677 ' HG2' ' H ' ' A' ' 23' ' ' LEU . 44.7 ttt180 -161.76 -163.47 0.97 Allowed 'General case' 0 N--CA 1.425 -1.69 0 N-CA-C 106.237 -1.764 . . . . 0.0 106.237 179.137 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 23' ' ' LEU . . . . . 0.677 ' H ' ' HG2' ' A' ' 22' ' ' ARG . 2.9 mm? -50.77 -21.89 1.86 Allowed 'General case' 0 N--CA 1.475 0.8 0 C-N-CA 123.878 0.871 . . . . 0.0 111.772 177.555 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 24' ' ' TRP . . . . . 0.558 ' HA ' ' HA ' ' A' ' 8' ' ' THR . 19.7 p90 -144.52 158.75 43.61 Favored 'General case' 0 N--CA 1.425 -1.683 0 N-CA-C 107.238 -1.393 . . . . 0.0 107.238 172.498 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 85.2 m -86.68 138.12 31.91 Favored 'General case' 0 C--N 1.315 -0.912 0 CA-C-O 121.226 0.536 . . . . 0.0 110.487 178.421 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 39.5 ttmt -132.84 141.14 48.28 Favored 'General case' 0 C--N 1.294 -1.842 0 N-CA-C 108.109 -1.071 . . . . 0.0 108.109 -178.157 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 97.6 mttt . . . . . 0 C--N 1.309 -1.178 0 N-CA-C 108.87 -0.789 . . . . 0.0 108.87 176.394 . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' A' A ' 3' ' ' GLN . . . . . 0.439 ' HB2' ' HA ' ' A' ' 15' ' ' CYS . 11.0 mm100 . . . . . 0 N--CA 1.442 -0.826 0 CA-C-O 121.091 0.472 . . . . 0.0 111.949 . . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 94.1 mttt -94.22 169.38 10.29 Favored 'General case' 0 C--N 1.314 -0.956 0 CA-C-N 115.153 -0.931 . . . . 0.0 109.137 178.907 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 5' ' ' TRP . . . . . . . . . . . . . 46.7 p90 -61.56 -26.67 68.1 Favored 'General case' 0 N--CA 1.477 0.877 0 C-N-CA 123.961 0.905 . . . . 0.0 112.619 -175.992 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 6' ' ' MET . . . . . . . . . . . . . 27.6 ttt -85.59 -11.63 53.51 Favored 'General case' 0 C--N 1.31 -1.148 0 CA-C-O 121.968 0.889 . . . . 0.0 110.249 -178.859 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 7' ' ' TRP . . . . . . . . . . . . . 35.8 m0 -98.71 -176.78 3.45 Favored 'General case' 0 C--N 1.293 -1.884 0 CA-C-N 114.999 -1.001 . . . . 0.0 109.516 -177.767 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 8' ' ' THR . . . . . 0.566 ' HA ' ' HA ' ' A' ' 24' ' ' TRP . 82.4 p -125.97 164.57 20.51 Favored 'General case' 0 C--N 1.304 -1.392 0 N-CA-C 108.295 -1.002 . . . . 0.0 108.295 179.294 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 9' ' ' CYS . . . . . 0.598 ' SG ' ' HB2' ' A' ' 15' ' ' CYS . 30.2 p -136.8 161.99 34.46 Favored 'General case' 0 N--CA 1.444 -0.763 0 C-N-CA 117.767 -1.573 . . . . 0.0 111.012 177.204 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 26.3 m-20 -150.27 -144.18 0.15 Allowed 'General case' 0 C--N 1.32 -0.708 0 N-CA-C 107.71 -1.219 . . . . 0.0 107.71 -179.448 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 15.9 t -75.0 -45.36 42.45 Favored 'General case' 0 CA--C 1.548 0.891 0 CA-C-N 118.184 0.447 . . . . 0.0 111.706 -175.959 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 23.5 mm-40 -82.23 -42.35 19.04 Favored 'General case' 0 C--N 1.322 -0.587 0 CA-C-O 121.401 0.62 . . . . 0.0 111.598 -176.409 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 13' ' ' ARG . . . . . 0.458 ' HA ' ' HE ' ' A' ' 13' ' ' ARG . 2.9 mmp_? -93.99 111.96 23.73 Favored 'General case' 0 C--N 1.297 -1.706 0 N-CA-C 108.537 -0.912 . . . . 0.0 108.537 176.442 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 28.1 mtpp -101.19 140.32 35.65 Favored 'General case' 0 C--N 1.286 -2.184 0 N-CA-C 109.046 -0.724 . . . . 0.0 109.046 -178.7 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 15' ' ' CYS . . . . . 0.598 ' HB2' ' SG ' ' A' ' 9' ' ' CYS . 8.4 t -84.61 162.38 19.78 Favored 'General case' 0 C--N 1.296 -1.748 0 CA-C-N 115.961 -0.563 . . . . 0.0 109.697 -177.031 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 80.2 m -77.98 145.71 35.85 Favored 'General case' 0 C--N 1.297 -1.694 0 CA-C-O 121.258 0.552 . . . . 0.0 111.55 -176.916 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -66.31 140.29 58.1 Favored 'General case' 0 C--N 1.323 -0.543 0 CA-C-N 115.927 -0.578 . . . . 0.0 110.322 177.689 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 112.08 -20.76 21.25 Favored Glycine 0 C--N 1.306 -1.124 0 N-CA-C 108.379 -1.888 . . . . 0.0 108.379 -171.928 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 19' ' ' MET . . . . . . . . . . . . . 63.1 mtt -114.3 173.45 6.44 Favored 'General case' 0 N--CA 1.438 -1.04 0 N-CA-C 107.607 -1.257 . . . . 0.0 107.607 175.953 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 61.1 t -106.41 127.23 61.9 Favored 'Isoleucine or valine' 0 C--N 1.282 -2.333 0 N-CA-C 106.722 -1.584 . . . . 0.0 106.722 175.082 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 25.7 t -83.2 107.58 15.85 Favored 'General case' 0 N--CA 1.425 -1.713 0 N-CA-C 107.353 -1.351 . . . . 0.0 107.353 179.009 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 22' ' ' ARG . . . . . 0.587 ' HG3' ' H ' ' A' ' 23' ' ' LEU . 13.8 tpp180 -139.08 -168.0 2.34 Favored 'General case' 0 C--O 1.273 2.298 0 N-CA-C 107.011 -1.477 . . . . 0.0 107.011 -174.053 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 23' ' ' LEU . . . . . 0.587 ' H ' ' HG3' ' A' ' 22' ' ' ARG . 70.0 mt -48.04 -28.96 3.12 Favored 'General case' 0 N--CA 1.47 0.535 0 C-N-CA 125.043 1.337 . . . . 0.0 110.503 176.234 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 24' ' ' TRP . . . . . 0.566 ' HA ' ' HA ' ' A' ' 8' ' ' THR . 32.0 p90 -141.31 163.9 31.7 Favored 'General case' 0 N--CA 1.415 -2.188 0 N-CA-C 105.432 -2.062 . . . . 0.0 105.432 173.206 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 53.2 m -80.84 128.64 33.89 Favored 'General case' 0 C--N 1.303 -1.419 0 CA-C-N 118.748 0.704 . . . . 0.0 110.693 176.162 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 87.0 tttt -130.86 122.05 26.36 Favored 'General case' 0 C--N 1.289 -2.041 0 CA-C-N 115.505 -0.771 . . . . 0.0 109.087 -174.913 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 27.7 mtpp . . . . . 0 C--N 1.312 -1.041 0 CA-C-O 121.038 0.447 . . . . 0.0 110.338 179.388 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 1' ' ' TYR . . . . . . . . . . . . . 85.9 m-85 . . . . . 0 CA--C 1.497 -1.075 0 N-CA-C 108.584 -0.895 . . . . 0.0 108.584 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 2' ' ' CYS . . . . . . . . . . . . . 25.1 p -89.46 157.14 18.24 Favored 'General case' 0 C--N 1.299 -1.601 0 N-CA-C 106.073 -1.825 . . . . 0.0 106.073 168.868 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 3' ' ' GLN . . . . . 0.548 ' HB2' ' HA ' ' A' ' 15' ' ' CYS . 13.5 mm100 -82.76 124.84 30.64 Favored 'General case' 0 C--N 1.298 -1.652 0 CA-C-O 121.579 0.704 . . . . 0.0 111.196 -175.163 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 59.3 mtpt -77.05 173.69 11.51 Favored 'General case' 0 C--N 1.317 -0.833 0 CA-C-N 113.934 -1.484 . . . . 0.0 111.437 -176.565 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 5' ' ' TRP . . . . . . . . . . . . . 12.5 p-90 -61.25 -31.82 71.62 Favored 'General case' 0 N--CA 1.478 0.949 0 N-CA-C 111.974 0.361 . . . . 0.0 111.974 -175.529 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 6' ' ' MET . . . . . . . . . . . . . 22.9 ptp -93.02 8.38 40.18 Favored 'General case' 0 N--CA 1.442 -0.841 0 CA-C-O 121.566 0.698 . . . . 0.0 110.683 -178.386 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 7' ' ' TRP . . . . . . . . . . . . . 38.2 m0 -107.22 -178.37 3.62 Favored 'General case' 0 C--O 1.255 1.37 0 N-CA-C 108.764 -0.828 . . . . 0.0 108.764 179.508 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 8' ' ' THR . . . . . 0.522 ' HA ' ' HA ' ' A' ' 24' ' ' TRP . 66.4 p -130.29 165.1 23.17 Favored 'General case' 0 C--N 1.305 -1.36 0 N-CA-C 108.182 -1.044 . . . . 0.0 108.182 -178.924 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 9' ' ' CYS . . . . . 0.677 ' HB2' ' O ' ' A' ' 13' ' ' ARG . 25.2 p -123.57 -179.67 4.44 Favored 'General case' 0 C--O 1.248 1.002 0 C-N-CA 116.897 -1.921 . . . . 0.0 111.827 176.927 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 10' ' ' ASP . . . . . 0.436 ' CG ' ' H ' ' A' ' 11' ' ' SER . 31.7 t70 -150.37 -167.01 2.7 Favored 'General case' 0 C--N 1.317 -0.808 0 N-CA-C 106.579 -1.638 . . . . 0.0 106.579 -175.779 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 11' ' ' SER . . . . . 0.436 ' H ' ' CG ' ' A' ' 10' ' ' ASP . 14.3 m -72.87 -28.94 62.81 Favored 'General case' 0 C--N 1.307 -1.269 0 N-CA-C 108.823 -0.806 . . . . 0.0 108.823 178.17 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 35.7 mt-10 -93.29 -53.82 3.94 Favored 'General case' 0 N--CA 1.447 -0.621 0 CA-C-N 115.714 -0.675 . . . . 0.0 109.983 177.851 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 13' ' ' ARG . . . . . 0.677 ' O ' ' HB2' ' A' ' 9' ' ' CYS . 55.0 mtm180 -71.26 118.47 14.09 Favored 'General case' 0 C--O 1.217 -0.655 0 CA-C-N 116.126 -0.488 . . . . 0.0 109.879 -179.629 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 99.7 mttt -105.23 143.09 33.89 Favored 'General case' 0 C--N 1.314 -0.966 0 CA-C-N 117.593 0.179 . . . . 0.0 110.806 178.485 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 15' ' ' CYS . . . . . 0.548 ' HA ' ' HB2' ' A' ' 3' ' ' GLN . 82.5 m -75.75 151.35 37.62 Favored 'General case' 0 C--N 1.317 -0.821 0 N-CA-C 109.488 -0.56 . . . . 0.0 109.488 175.98 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 55.3 m -61.81 142.95 57.0 Favored 'General case' 0 C--N 1.309 -1.195 0 N-CA-C 109.701 -0.481 . . . . 0.0 109.701 177.982 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 97.1 mttt -58.76 136.04 57.63 Favored 'General case' 0 C--O 1.241 0.624 0 C-N-CA 122.961 0.504 . . . . 0.0 110.634 -178.47 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 111.94 -16.35 25.58 Favored Glycine 0 C--N 1.305 -1.194 0 N-CA-C 108.83 -1.708 . . . . 0.0 108.83 -174.495 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 19' ' ' MET . . . . . 0.578 ' HG2' ' HA ' ' A' ' 27' ' ' LYS . 71.0 mtm -122.12 161.07 23.78 Favored 'General case' 0 N--CA 1.432 -1.346 0 N-CA-C 107.245 -1.391 . . . . 0.0 107.245 174.999 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 26.9 m -106.86 144.28 16.16 Favored 'Isoleucine or valine' 0 C--N 1.292 -1.933 0 N-CA-C 110.098 -0.334 . . . . 0.0 110.098 -179.678 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 29.8 t -79.92 126.79 31.46 Favored 'General case' 0 C--N 1.306 -1.318 0 N-CA-C 108.952 -0.759 . . . . 0.0 108.952 179.935 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 22' ' ' ARG . . . . . 0.404 ' N ' ' SG ' ' A' ' 9' ' ' CYS . 10.5 tpp180 -159.05 -174.53 4.78 Favored 'General case' 0 C--O 1.278 2.593 0 N-CA-C 106.517 -1.66 . . . . 0.0 106.517 -176.747 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 23' ' ' LEU . . . . . 0.412 ' O ' ' HB ' ' A' ' 8' ' ' THR . 96.0 mt -45.79 -32.88 2.77 Favored 'General case' 0 N--CA 1.471 0.587 0 C-N-CA 123.68 0.792 . . . . 0.0 110.553 174.878 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 24' ' ' TRP . . . . . 0.522 ' HA ' ' HA ' ' A' ' 8' ' ' THR . 12.9 p90 -137.73 161.9 35.32 Favored 'General case' 0 N--CA 1.42 -1.974 0 N-CA-C 105.997 -1.853 . . . . 0.0 105.997 173.343 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 77.8 m -80.49 120.35 24.36 Favored 'General case' 0 C--N 1.307 -1.282 0 CA-C-N 118.514 0.597 . . . . 0.0 110.553 178.945 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 29.1 ttpp -119.59 133.39 55.68 Favored 'General case' 0 C--N 1.306 -1.292 0 CA-C-N 115.958 -0.564 . . . . 0.0 110.158 -175.001 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 27' ' ' LYS . . . . . 0.578 ' HA ' ' HG2' ' A' ' 19' ' ' MET . 60.7 pttt -58.0 140.17 52.94 Favored 'General case' 0 C--O 1.242 0.668 0 CA-C-O 121.172 0.51 . . . . 0.0 111.266 177.95 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 62.5 tttp -79.44 97.77 6.52 Favored 'General case' 0 N--CA 1.426 -1.656 0 CA-C-O 121.709 0.766 . . . . 0.0 110.039 -176.789 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 48.0 tp -85.0 -26.89 26.8 Favored 'General case' 0 C--N 1.303 -1.452 0 CA-C-N 114.767 -1.106 . . . . 0.0 108.337 179.308 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 30' ' ' TRP . . . . . . . . . . . . . 64.4 t90 . . . . . 0 N--CA 1.428 -1.527 0 N-CA-C 106.988 -1.486 . . . . 0.0 106.988 178.821 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 1' ' ' TYR . . . . . . . . . . . . . 60.7 m-85 . . . . . 0 C--O 1.241 0.654 0 N-CA-C 108.847 -0.797 . . . . 0.0 108.847 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 2' ' ' CYS . . . . . . . . . . . . . 20.1 t -151.39 132.39 14.28 Favored 'General case' 0 CA--C 1.481 -1.703 0 N-CA-C 104.264 -2.495 . . . . 0.0 104.264 171.051 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 3' ' ' GLN . . . . . 0.582 ' HB2' ' HA ' ' A' ' 15' ' ' CYS . 12.2 mm100 -86.93 130.98 34.23 Favored 'General case' 0 C--N 1.268 -2.946 0 C-N-CA 119.903 -0.719 . . . . 0.0 111.582 -172.565 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 14.0 mmmm -88.79 170.46 10.74 Favored 'General case' 0 C--N 1.303 -1.422 0 CA-C-N 114.774 -1.103 . . . . 0.0 109.23 179.312 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 5' ' ' TRP . . . . . . . . . . . . . 11.4 p-90 -72.86 -11.79 60.73 Favored 'General case' 0 C--N 1.318 -0.764 0 CA-C-O 121.363 0.601 . . . . 0.0 110.254 -177.417 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 6' ' ' MET . . . . . 0.51 ' HG3' ' CD1' ' A' ' 7' ' ' TRP . 26.6 ptm -88.08 -5.9 58.21 Favored 'General case' 0 C--N 1.31 -1.114 0 CA-C-N 115.641 -0.709 . . . . 0.0 110.031 179.039 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 7' ' ' TRP . . . . . 0.51 ' CD1' ' HG3' ' A' ' 6' ' ' MET . 36.9 m0 -116.96 -174.28 2.55 Favored 'General case' 0 C--O 1.241 0.637 0 CA-C-O 121.251 0.548 . . . . 0.0 109.932 -178.77 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 8' ' ' THR . . . . . 0.616 ' HB ' ' O ' ' A' ' 23' ' ' LEU . 70.1 p -122.66 161.63 23.47 Favored 'General case' 0 C--N 1.298 -1.652 0 N-CA-C 107.66 -1.237 . . . . 0.0 107.66 -179.83 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 9.4 p -121.56 140.2 52.53 Favored 'General case' 0 CA--C 1.499 -0.992 0 C-N-CA 117.326 -1.75 . . . . 0.0 112.077 176.125 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 10' ' ' ASP . . . . . 0.56 ' H ' ' HB2' ' A' ' 13' ' ' ARG . 4.6 m-20 -94.25 -170.58 2.32 Favored 'General case' 0 C--N 1.294 -1.821 0 N-CA-C 107.166 -1.42 . . . . 0.0 107.166 176.307 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 8.0 m -64.67 -45.21 87.67 Favored 'General case' 0 C--N 1.307 -1.275 0 CA-C-O 120.956 0.408 . . . . 0.0 111.29 -175.932 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 38.6 mm-40 -92.33 -1.42 57.07 Favored 'General case' 0 C--N 1.322 -0.614 0 N-CA-C 111.997 0.369 . . . . 0.0 111.997 -178.803 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 13' ' ' ARG . . . . . 0.56 ' HB2' ' H ' ' A' ' 10' ' ' ASP . 6.7 mmp_? -85.53 117.7 24.59 Favored 'General case' 0 CA--C 1.493 -1.22 0 C-N-CA 119.557 -0.857 . . . . 0.0 109.806 177.16 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 59.4 mtpt -91.05 110.3 21.56 Favored 'General case' 0 C--N 1.277 -2.584 0 CA-C-N 114.967 -1.015 . . . . 0.0 109.214 -179.738 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 15' ' ' CYS . . . . . 0.582 ' HA ' ' HB2' ' A' ' 3' ' ' GLN . 18.1 t -79.5 152.39 30.23 Favored 'General case' 0 C--N 1.3 -1.575 0 CA-C-N 114.818 -1.083 . . . . 0.0 108.273 -179.331 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 80.5 m -62.46 147.12 49.73 Favored 'General case' 0 C--N 1.311 -1.068 0 N-CA-C 113.269 0.841 . . . . 0.0 113.269 -174.805 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 85.9 tttt -68.14 128.69 37.48 Favored 'General case' 0 N--CA 1.442 -0.85 0 CA-C-N 115.574 -0.739 . . . . 0.0 110.846 -175.806 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 112.65 -16.47 23.79 Favored Glycine 0 C--N 1.302 -1.357 0 N-CA-C 109.501 -1.44 . . . . 0.0 109.501 -175.193 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 19' ' ' MET . . . . . 0.402 ' HG2' ' HA ' ' A' ' 27' ' ' LYS . 65.2 mtt -103.82 159.72 15.4 Favored 'General case' 0 C--N 1.31 -1.15 0 N-CA-C 107.862 -1.162 . . . . 0.0 107.862 176.828 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 90.8 t -105.84 122.2 59.1 Favored 'Isoleucine or valine' 0 C--N 1.283 -2.315 0 N-CA-C 107.866 -1.161 . . . . 0.0 107.866 177.658 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 28.0 t -77.26 131.31 38.11 Favored 'General case' 0 N--CA 1.425 -1.686 0 N-CA-C 108.56 -0.904 . . . . 0.0 108.56 -179.222 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 22' ' ' ARG . . . . . 0.586 ' HA ' ' HE ' ' A' ' 22' ' ' ARG . 2.1 tpm_? -159.69 -170.79 3.03 Favored 'General case' 0 N--CA 1.415 -2.22 0 N-CA-C 104.775 -2.306 . . . . 0.0 104.775 -177.757 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 23' ' ' LEU . . . . . 0.616 ' O ' ' HB ' ' A' ' 8' ' ' THR . 93.9 mt -51.05 -24.1 3.59 Favored 'General case' 0 N--CA 1.471 0.594 0 C-N-CA 123.219 0.608 . . . . 0.0 110.454 174.374 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 24' ' ' TRP . . . . . 0.513 ' HA ' ' HA ' ' A' ' 8' ' ' THR . 16.5 p90 -135.62 159.14 42.53 Favored 'General case' 0 N--CA 1.425 -1.715 0 N-CA-C 106.512 -1.662 . . . . 0.0 106.512 173.074 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 32.7 m -86.14 129.88 34.7 Favored 'General case' 0 C--N 1.31 -1.142 0 CA-C-N 118.821 0.737 . . . . 0.0 110.37 174.66 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 63.5 tttp -113.81 123.4 49.74 Favored 'General case' 0 C--N 1.298 -1.638 0 N-CA-C 108.105 -1.072 . . . . 0.0 108.105 -176.907 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 27' ' ' LYS . . . . . 0.402 ' HA ' ' HG2' ' A' ' 19' ' ' MET . 23.9 pttm -83.0 170.75 14.56 Favored 'General case' 0 C--O 1.25 1.127 0 N-CA-C 108.969 -0.752 . . . . 0.0 108.969 -177.797 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 19.3 pttp -68.31 155.62 39.39 Favored 'General case' 0 C--O 1.25 1.101 0 C-N-CA 120.706 -0.398 . . . . 0.0 110.331 178.22 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 47.7 tp -54.07 -43.9 70.68 Favored 'General case' 0 C--O 1.242 0.706 0 C-N-CA 123.755 0.822 . . . . 0.0 111.966 -173.764 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 30' ' ' TRP . . . . . . . . . . . . . 67.2 t-105 . . . . . 0 C--N 1.308 -1.204 0 N-CA-C 108.368 -0.975 . . . . 0.0 108.368 177.202 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 1' ' ' TYR . . . . . 0.503 ' HD1' ' SG ' ' A' ' 2' ' ' CYS . 45.8 t80 . . . . . 0 C--O 1.236 0.37 0 N-CA-C 109.18 -0.674 . . . . 0.0 109.18 . . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 2' ' ' CYS . . . . . 0.503 ' SG ' ' HD1' ' A' ' 1' ' ' TYR . 22.2 p -156.56 161.29 39.97 Favored 'General case' 0 N--CA 1.441 -0.876 0 N-CA-C 109.465 -0.568 . . . . 0.0 109.465 178.312 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 3' ' ' GLN . . . . . 0.502 ' HG2' ' O ' ' A' ' 14' ' ' LYS . 10.3 mm100 -83.51 129.66 34.98 Favored 'General case' 0 C--N 1.297 -1.713 0 N-CA-C 109.195 -0.669 . . . . 0.0 109.195 -179.617 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 63.6 mttm -83.14 177.18 8.69 Favored 'General case' 0 C--N 1.31 -1.133 0 CA-C-N 115.459 -0.791 . . . . 0.0 109.805 -178.753 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 5' ' ' TRP . . . . . . . . . . . . . 44.3 p90 -65.61 -25.89 67.59 Favored 'General case' 0 C--N 1.323 -0.578 0 N-CA-C 112.573 0.583 . . . . 0.0 112.573 -174.966 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 6' ' ' MET . . . . . . . . . . . . . 56.3 ttp -90.21 -4.03 57.47 Favored 'General case' 0 C--N 1.316 -0.865 0 CA-C-O 122.646 1.212 . . . . 0.0 109.71 179.505 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 7' ' ' TRP . . . . . . . . . . . . . 13.7 m0 -96.08 -176.81 3.8 Favored 'General case' 0 C--N 1.292 -1.916 0 CA-C-N 114.539 -1.21 . . . . 0.0 109.077 -178.697 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 8' ' ' THR . . . . . 0.619 ' HA ' ' HA ' ' A' ' 24' ' ' TRP . 38.3 p -132.11 154.65 49.26 Favored 'General case' 0 C--N 1.298 -1.672 0 N-CA-C 108.18 -1.045 . . . . 0.0 108.18 -178.219 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 9' ' ' CYS . . . . . 0.433 ' HB2' ' O ' ' A' ' 13' ' ' ARG . 26.6 p -128.18 176.75 7.42 Favored 'General case' 0 C--O 1.249 1.073 0 C-N-CA 117.319 -1.752 . . . . 0.0 112.494 -179.76 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 14.1 m-20 -148.52 -166.98 2.69 Favored 'General case' 0 C--N 1.309 -1.164 0 N-CA-C 106.815 -1.55 . . . . 0.0 106.815 -177.762 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 12.6 t -74.85 -36.84 62.33 Favored 'General case' 0 N--CA 1.426 -1.672 0 N-CA-C 107.414 -1.328 . . . . 0.0 107.414 174.587 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 46.1 mt-10 -73.93 -57.01 4.26 Favored 'General case' 0 N--CA 1.451 -0.4 0 CA-C-N 115.825 -0.625 . . . . 0.0 111.019 177.53 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 13' ' ' ARG . . . . . 0.433 ' O ' ' HB2' ' A' ' 9' ' ' CYS . 70.9 mtm180 -76.47 112.0 12.53 Favored 'General case' 0 C--N 1.324 -0.531 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.178 -178.903 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 14' ' ' LYS . . . . . 0.502 ' O ' ' HG2' ' A' ' 3' ' ' GLN . 75.1 mmtt -87.05 141.32 28.75 Favored 'General case' 0 CA--C 1.492 -1.262 0 CA-C-O 121.219 0.533 . . . . 0.0 110.659 -177.03 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 22.5 t -94.05 160.05 14.89 Favored 'General case' 0 C--N 1.27 -2.854 0 CA-C-N 115.188 -0.915 . . . . 0.0 109.133 -176.747 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 16' ' ' CYS . . . . . 0.438 ' HB2' ' SD ' ' A' ' 19' ' ' MET . 79.1 m -70.75 153.98 42.27 Favored 'General case' 0 C--O 1.254 1.312 0 CA-C-O 121.561 0.696 . . . . 0.0 112.178 -177.635 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 27.2 ttpp -66.83 137.59 56.71 Favored 'General case' 0 C--O 1.247 0.937 0 N-CA-C 108.688 -0.856 . . . . 0.0 108.688 177.445 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 95.98 5.87 59.45 Favored Glycine 0 N--CA 1.432 -1.623 0 N-CA-C 109.88 -1.288 . . . . 0.0 109.88 -176.26 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 19' ' ' MET . . . . . 0.438 ' SD ' ' HB2' ' A' ' 16' ' ' CYS . 52.6 mtt -125.35 160.7 28.71 Favored 'General case' 0 N--CA 1.432 -1.372 0 N-CA-C 109.624 -0.51 . . . . 0.0 109.624 176.323 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 20' ' ' VAL . . . . . 0.492 ' HB ' ' HB3' ' A' ' 26' ' ' LYS . 77.0 t -106.91 125.8 62.92 Favored 'Isoleucine or valine' 0 C--N 1.278 -2.521 0 N-CA-C 106.684 -1.599 . . . . 0.0 106.684 178.78 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 18.8 t -81.59 131.97 35.29 Favored 'General case' 0 C--N 1.304 -1.406 0 C-N-CA 120.519 -0.472 . . . . 0.0 109.737 -177.414 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 22' ' ' ARG . . . . . 0.481 ' HG3' ' H ' ' A' ' 23' ' ' LEU . 16.2 tpp180 -158.18 -169.84 2.93 Favored 'General case' 0 C--O 1.278 2.558 0 N-CA-C 105.377 -2.083 . . . . 0.0 105.377 -177.523 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 23' ' ' LEU . . . . . 0.55 ' O ' ' HB ' ' A' ' 8' ' ' THR . 92.3 mt -52.01 -29.39 20.67 Favored 'General case' 0 N--CA 1.471 0.594 0 CA-C-O 121.052 0.454 . . . . 0.0 110.134 174.817 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 24' ' ' TRP . . . . . 0.619 ' HA ' ' HA ' ' A' ' 8' ' ' THR . 27.3 p90 -130.88 167.84 18.28 Favored 'General case' 0 N--CA 1.427 -1.588 0 N-CA-C 106.106 -1.813 . . . . 0.0 106.106 173.252 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 34.3 m -86.88 127.81 35.05 Favored 'General case' 0 C--N 1.3 -1.544 0 C-N-CA 119.159 -1.017 . . . . 0.0 111.438 176.025 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 26' ' ' LYS . . . . . 0.492 ' HB3' ' HB ' ' A' ' 20' ' ' VAL . 84.9 tttt -109.19 151.41 26.52 Favored 'General case' 0 C--N 1.294 -1.834 0 N-CA-C 107.098 -1.445 . . . . 0.0 107.098 -178.292 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 92.4 mttt -83.56 145.89 28.63 Favored 'General case' 0 C--N 1.29 -2.005 0 N-CA-C 109.578 -0.527 . . . . 0.0 109.578 179.893 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 26.4 tptp -88.05 106.6 18.26 Favored 'General case' 0 C--N 1.304 -1.391 0 N-CA-C 106.034 -1.839 . . . . 0.0 106.034 177.1 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 5.1 mp -78.0 -48.01 17.17 Favored 'General case' 0 C--N 1.304 -1.412 0 N-CA-C 109.397 -0.594 . . . . 0.0 109.397 -178.414 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 30' ' ' TRP . . . . . . . . . . . . . 18.3 m-90 . . . . . 0 C--N 1.307 -1.252 0 N-CA-C 107.868 -1.16 . . . . 0.0 107.868 179.08 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 1' ' ' TYR . . . . . . . . . . . . . 61.6 t80 . . . . . 0 CA--C 1.504 -0.813 0 N-CA-C 108.041 -1.096 . . . . 0.0 108.041 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 2' ' ' CYS . . . . . . . . . . . . . 22.4 t -84.76 141.44 30.52 Favored 'General case' 0 N--CA 1.418 -2.062 0 N-CA-C 104.925 -2.25 . . . . 0.0 104.925 171.917 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 13.5 mm100 -99.87 142.04 31.88 Favored 'General case' 0 C--N 1.273 -2.733 0 C-N-CA 119.941 -0.704 . . . . 0.0 111.515 -172.496 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 94.3 mttt -94.36 168.8 10.66 Favored 'General case' 0 C--N 1.307 -1.25 0 CA-C-N 114.882 -1.054 . . . . 0.0 108.388 179.254 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 5' ' ' TRP . . . . . . . . . . . . . 29.7 p-90 -62.57 -24.06 67.34 Favored 'General case' 0 N--CA 1.484 1.234 0 CA-C-O 121.834 0.826 . . . . 0.0 109.78 179.318 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 6' ' ' MET . . . . . . . . . . . . . 49.1 ttm -78.74 -24.66 44.68 Favored 'General case' 0 N--CA 1.425 -1.717 0 CA-C-N 114.22 -1.355 . . . . 0.0 111.013 -175.621 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 7' ' ' TRP . . . . . . . . . . . . . 38.5 m0 -94.46 174.77 6.96 Favored 'General case' 0 C--N 1.304 -1.411 0 CA-C-N 116.013 -0.54 . . . . 0.0 110.325 -178.11 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 8' ' ' THR . . . . . 0.549 HG22 ' HA ' ' A' ' 24' ' ' TRP . 75.1 p -122.17 173.94 7.27 Favored 'General case' 0 C--N 1.29 -2.018 0 N-CA-C 108.905 -0.776 . . . . 0.0 108.905 -176.185 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 9' ' ' CYS . . . . . 0.697 ' HB3' ' SG ' ' A' ' 15' ' ' CYS . 11.4 p -120.51 169.21 10.56 Favored 'General case' 0 C--O 1.251 1.141 0 C-N-CA 117.093 -1.843 . . . . 0.0 110.406 174.602 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 24.4 m-20 -137.42 -152.54 0.44 Allowed 'General case' 0 C--N 1.31 -1.114 0 N-CA-C 104.704 -2.332 . . . . 0.0 104.704 178.964 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 50.4 m -78.52 -38.02 41.65 Favored 'General case' 0 C--N 1.312 -1.057 0 C-N-CA 119.569 -0.852 . . . . 0.0 110.263 174.083 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 2.5 mp0 -87.13 -55.7 3.7 Favored 'General case' 0 C--O 1.233 0.223 0 C-N-CA 120.665 -0.414 . . . . 0.0 112.053 -178.987 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 13' ' ' ARG . . . . . 0.552 ' O ' ' HB2' ' A' ' 9' ' ' CYS . 57.1 mtm180 -71.18 111.59 6.65 Favored 'General case' 0 CA--C 1.505 -0.752 0 N-CA-C 108.153 -1.054 . . . . 0.0 108.153 175.035 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 23.0 pttp -106.2 148.3 28.06 Favored 'General case' 0 C--N 1.298 -1.631 0 N-CA-C 109.917 -0.401 . . . . 0.0 109.917 176.496 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 15' ' ' CYS . . . . . 0.697 ' SG ' ' HB3' ' A' ' 9' ' ' CYS . 61.2 m -75.52 147.72 39.53 Favored 'General case' 0 C--N 1.307 -1.259 0 N-CA-C 109.096 -0.705 . . . . 0.0 109.096 178.671 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 74.2 m -72.18 162.18 29.83 Favored 'General case' 0 C--N 1.306 -1.299 0 CA-C-O 120.635 0.255 . . . . 0.0 111.566 -178.221 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 65.1 tttm -62.08 131.7 50.41 Favored 'General case' 0 N--CA 1.442 -0.866 0 N-CA-C 109.387 -0.597 . . . . 0.0 109.387 179.229 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 112.29 -11.64 26.36 Favored Glycine 0 C--N 1.301 -1.389 0 N-CA-C 108.16 -1.976 . . . . 0.0 108.16 -171.622 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 19' ' ' MET . . . . . . . . . . . . . 65.0 mtt -134.11 157.36 46.37 Favored 'General case' 0 N--CA 1.429 -1.518 0 N-CA-C 106.803 -1.554 . . . . 0.0 106.803 175.569 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 29.3 m -108.53 141.7 23.09 Favored 'Isoleucine or valine' 0 C--N 1.279 -2.461 0 N-CA-C 108.764 -0.828 . . . . 0.0 108.764 174.001 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 21' ' ' CYS . . . . . 0.417 ' HA ' ' SG ' ' A' ' 15' ' ' CYS . 46.7 t -68.75 110.15 4.18 Favored 'General case' 0 N--CA 1.439 -0.996 0 N-CA-C 107.027 -1.471 . . . . 0.0 107.027 177.973 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 6.4 tpt180 -145.27 -169.92 3.31 Favored 'General case' 0 C--O 1.281 2.752 0 N-CA-C 108.228 -1.027 . . . . 0.0 108.228 -174.759 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 23' ' ' LEU . . . . . 0.452 ' O ' ' HB ' ' A' ' 8' ' ' THR . 82.7 mt -47.29 -45.55 24.28 Favored 'General case' 0 N--CA 1.483 1.217 0 C-N-CA 124.159 0.984 . . . . 0.0 108.975 179.263 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 24' ' ' TRP . . . . . 0.549 ' HA ' HG22 ' A' ' 8' ' ' THR . 37.2 p90 -131.76 159.59 38.02 Favored 'General case' 0 N--CA 1.416 -2.148 0 N-CA-C 104.804 -2.295 . . . . 0.0 104.804 170.481 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 93.4 m -66.98 112.59 4.42 Favored 'General case' 0 C--N 1.314 -0.977 0 CA-C-O 121.847 0.832 . . . . 0.0 110.392 -179.497 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 63.1 tttm -107.8 125.75 51.8 Favored 'General case' 0 N--CA 1.421 -1.917 0 CA-C-N 114.716 -1.129 . . . . 0.0 110.098 -172.571 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 33.5 mmtp -58.95 147.56 33.8 Favored 'General case' 0 CA--C 1.499 -0.987 0 CA-C-O 121.992 0.901 . . . . 0.0 112.163 179.008 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 59.7 tttp -79.81 133.69 36.3 Favored 'General case' 0 C--N 1.284 -2.267 0 N-CA-C 105.852 -1.907 . . . . 0.0 105.852 176.0 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 3.2 pp -58.77 -28.45 65.95 Favored 'General case' 0 C--N 1.315 -0.911 0 N-CA-C 113.538 0.94 . . . . 0.0 113.538 -175.488 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 30' ' ' TRP . . . . . . . . . . . . . 71.3 t-105 . . . . . 0 N--CA 1.434 -1.262 0 N-CA-C 107.076 -1.453 . . . . 0.0 107.076 176.448 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 1' ' ' TYR . . . . . . . . . . . . . 82.2 t80 . . . . . 0 CA--C 1.534 0.343 0 N-CA-C 110.005 -0.369 . . . . 0.0 110.005 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 2' ' ' CYS . . . . . . . . . . . . . 42.1 t -124.43 159.46 30.4 Favored 'General case' 0 C--N 1.311 -1.067 0 N-CA-C 108.192 -1.04 . . . . 0.0 108.192 -178.346 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 3' ' ' GLN . . . . . 0.473 ' HB2' ' HA ' ' A' ' 15' ' ' CYS . 12.4 mm100 -89.44 139.47 30.49 Favored 'General case' 0 C--N 1.308 -1.232 0 CA-C-O 121.144 0.497 . . . . 0.0 112.174 -176.598 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 4' ' ' LYS . . . . . 0.432 ' HE2' ' CH2' ' A' ' 7' ' ' TRP . 54.5 mttm -95.01 168.43 10.78 Favored 'General case' 0 C--N 1.31 -1.132 0 CA-C-N 114.684 -1.144 . . . . 0.0 108.255 179.461 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 5' ' ' TRP . . . . . . . . . . . . . 27.0 p-90 -63.66 -23.81 67.53 Favored 'General case' 0 N--CA 1.494 1.763 0 CA-C-O 121.755 0.788 . . . . 0.0 110.573 -178.889 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 6' ' ' MET . . . . . . . . . . . . . 52.0 ttp -78.09 -18.85 55.21 Favored 'General case' 0 N--CA 1.43 -1.469 0 CA-C-N 114.717 -1.129 . . . . 0.0 110.358 -178.875 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 7' ' ' TRP . . . . . 0.432 ' CH2' ' HE2' ' A' ' 4' ' ' LYS . 51.9 m0 -103.88 172.72 6.65 Favored 'General case' 0 C--N 1.302 -1.481 0 CA-C-N 115.405 -0.816 . . . . 0.0 109.771 -178.036 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 8' ' ' THR . . . . . 0.629 ' HB ' ' O ' ' A' ' 23' ' ' LEU . 73.1 p -110.98 169.93 8.44 Favored 'General case' 0 C--N 1.293 -1.859 0 N-CA-C 108.081 -1.081 . . . . 0.0 108.081 179.452 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 9' ' ' CYS . . . . . 0.427 ' SG ' ' HB2' ' A' ' 15' ' ' CYS . 26.4 p -133.6 177.01 8.03 Favored 'General case' 0 C--O 1.244 0.788 0 C-N-CA 117.281 -1.767 . . . . 0.0 112.088 178.672 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 4.9 m-20 -147.0 -164.7 2.06 Favored 'General case' 0 CA--C 1.498 -1.023 0 N-CA-C 108.385 -0.969 . . . . 0.0 108.385 -175.998 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 19.4 p -69.68 -43.16 73.07 Favored 'General case' 0 N--CA 1.433 -1.302 0 N-CA-C 109.825 -0.435 . . . . 0.0 109.825 176.645 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 42.3 mt-10 -89.82 -39.38 13.13 Favored 'General case' 0 N--CA 1.44 -0.966 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.774 -179.698 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 63.2 mtm180 -73.18 111.47 8.33 Favored 'General case' 0 C--O 1.237 0.397 0 C-N-CA 119.17 -1.012 . . . . 0.0 109.016 176.267 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 58.0 mtpt -85.02 127.0 34.01 Favored 'General case' 0 C--N 1.308 -1.238 0 CA-C-N 115.468 -0.787 . . . . 0.0 111.119 -173.406 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 15' ' ' CYS . . . . . 0.473 ' HA ' ' HB2' ' A' ' 3' ' ' GLN . 22.9 t -94.21 141.79 28.15 Favored 'General case' 0 C--N 1.3 -1.581 0 N-CA-C 107.898 -1.149 . . . . 0.0 107.898 177.684 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 80.7 m -69.6 142.81 53.46 Favored 'General case' 0 C--N 1.293 -1.873 0 CA-C-O 121.246 0.546 . . . . 0.0 111.629 -175.871 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 57.4 mttp -64.1 140.39 58.86 Favored 'General case' 0 CA--C 1.507 -0.677 0 N-CA-C 109.469 -0.567 . . . . 0.0 109.469 176.91 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 112.46 -13.03 25.64 Favored Glycine 0 C--N 1.29 -1.976 0 N-CA-C 107.813 -2.115 . . . . 0.0 107.813 -171.081 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 19' ' ' MET . . . . . 0.492 ' HG2' ' HA ' ' A' ' 27' ' ' LYS . 60.4 mtm -127.37 162.99 25.0 Favored 'General case' 0 N--CA 1.423 -1.787 0 CA-C-N 113.481 -1.359 . . . . 0.0 108.129 174.076 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 57.8 t -105.85 128.68 59.9 Favored 'Isoleucine or valine' 0 C--N 1.289 -2.065 0 N-CA-C 106.832 -1.544 . . . . 0.0 106.832 179.492 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 32.8 t -87.04 131.35 34.13 Favored 'General case' 0 N--CA 1.428 -1.532 0 N-CA-C 109.339 -0.615 . . . . 0.0 109.339 -176.992 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 22' ' ' ARG . . . . . 0.419 ' HG3' ' H ' ' A' ' 23' ' ' LEU . 12.7 tpt180 -169.21 -156.02 0.15 Allowed 'General case' 0 C--O 1.284 2.88 0 N-CA-C 105.952 -1.87 . . . . 0.0 105.952 179.792 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 23' ' ' LEU . . . . . 0.629 ' O ' ' HB ' ' A' ' 8' ' ' THR . 6.7 tt -48.44 -37.0 16.06 Favored 'General case' 0 C--O 1.212 -0.912 0 C-N-CA 124.043 0.937 . . . . 0.0 109.05 177.597 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 24' ' ' TRP . . . . . 0.453 ' HA ' ' HA ' ' A' ' 8' ' ' THR . 21.6 p90 -135.07 165.88 24.34 Favored 'General case' 0 N--CA 1.434 -1.245 0 N-CA-C 107.232 -1.396 . . . . 0.0 107.232 173.829 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 55.4 m -85.67 113.31 21.77 Favored 'General case' 0 C--N 1.315 -0.906 0 CA-C-N 118.197 0.453 . . . . 0.0 109.907 174.857 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 62.3 tttp -99.22 118.16 35.29 Favored 'General case' 0 C--N 1.305 -1.369 0 N-CA-C 108.834 -0.802 . . . . 0.0 108.834 -177.855 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 27' ' ' LYS . . . . . 0.492 ' HA ' ' HG2' ' A' ' 19' ' ' MET . 59.7 pttt -85.02 148.02 26.39 Favored 'General case' 0 C--N 1.302 -1.465 0 N-CA-C 112.973 0.731 . . . . 0.0 112.973 -176.055 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 74.0 mmtt -73.21 148.39 43.79 Favored 'General case' 0 N--CA 1.441 -0.886 0 CA-C-N 114.982 -1.008 . . . . 0.0 109.8 176.635 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 90.8 mt -103.56 1.05 31.69 Favored 'General case' 0 C--N 1.299 -1.601 0 CA-C-N 115.757 -0.656 . . . . 0.0 109.797 -179.584 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 30' ' ' TRP . . . . . . . . . . . . . 84.5 m95 . . . . . 0 CA--C 1.513 -0.454 0 C-N-CA 124.966 1.307 . . . . 0.0 111.018 178.247 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 1' ' ' TYR . . . . . . . . . . . . . 84.6 m-85 . . . . . 0 CA--C 1.509 -0.619 0 N-CA-C 109.486 -0.561 . . . . 0.0 109.486 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 2' ' ' CYS . . . . . . . . . . . . . 41.9 t -145.19 160.02 42.11 Favored 'General case' 0 C--N 1.292 -1.929 0 N-CA-C 105.115 -2.18 . . . . 0.0 105.115 177.538 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 3' ' ' GLN . . . . . 0.52 ' HB2' ' HA ' ' A' ' 15' ' ' CYS . 11.3 mm100 -83.96 132.11 34.78 Favored 'General case' 0 C--N 1.298 -1.656 0 C-N-CA 119.654 -0.818 . . . . 0.0 111.767 -173.937 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 49.6 mtmt -90.88 172.52 8.55 Favored 'General case' 0 C--N 1.31 -1.126 0 CA-C-N 115.086 -0.961 . . . . 0.0 109.12 178.736 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 5' ' ' TRP . . . . . . . . . . . . . 47.9 p90 -67.04 -24.27 65.97 Favored 'General case' 0 C--N 1.315 -0.921 0 C-N-CA 123.127 0.571 . . . . 0.0 112.326 -176.836 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 6' ' ' MET . . . . . . . . . . . . . 58.6 ttp -82.33 -21.52 35.98 Favored 'General case' 0 C--N 1.323 -0.55 0 CA-C-O 122.255 1.026 . . . . 0.0 108.977 178.583 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 7' ' ' TRP . . . . . . . . . . . . . 46.2 m0 -87.93 174.59 8.23 Favored 'General case' 0 C--N 1.288 -2.086 0 CA-C-N 114.268 -1.333 . . . . 0.0 109.602 -179.248 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 8' ' ' THR . . . . . 0.539 ' HA ' ' HA ' ' A' ' 24' ' ' TRP . 71.9 p -125.95 167.61 15.05 Favored 'General case' 0 C--N 1.276 -2.612 0 N-CA-C 107.146 -1.427 . . . . 0.0 107.146 -176.417 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 9' ' ' CYS . . . . . 0.654 ' HB2' ' O ' ' A' ' 13' ' ' ARG . 20.2 p -120.05 175.49 5.9 Favored 'General case' 0 N--CA 1.435 -1.195 0 C-N-CA 116.539 -2.064 . . . . 0.0 110.789 178.984 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 30.0 m-20 -136.81 -165.72 1.78 Allowed 'General case' 0 C--N 1.309 -1.153 0 N-CA-C 106.44 -1.689 . . . . 0.0 106.44 -179.116 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 1.8 p -75.03 -35.23 61.93 Favored 'General case' 0 C--N 1.286 -2.184 0 CA-C-O 121.589 0.709 . . . . 0.0 109.576 173.102 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 9.3 pt-20 -84.84 -40.74 16.78 Favored 'General case' 0 C--N 1.32 -0.699 0 CA-C-N 115.426 -0.807 . . . . 0.0 111.443 179.473 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 13' ' ' ARG . . . . . 0.654 ' O ' ' HB2' ' A' ' 9' ' ' CYS . 83.6 mtm180 -98.89 115.83 29.76 Favored 'General case' 0 C--O 1.206 -1.223 0 N-CA-C 109.181 -0.674 . . . . 0.0 109.181 -179.844 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 38.4 mtmm -105.64 152.34 23.25 Favored 'General case' 0 C--N 1.298 -1.652 0 CA-C-O 120.754 0.311 . . . . 0.0 110.558 179.213 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 15' ' ' CYS . . . . . 0.591 ' SG ' ' HA ' ' A' ' 21' ' ' CYS . 55.7 m -75.29 153.66 37.81 Favored 'General case' 0 C--N 1.312 -1.034 0 N-CA-C 109.081 -0.711 . . . . 0.0 109.081 178.736 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 41.1 m -64.16 162.36 14.57 Favored 'General case' 0 C--O 1.25 1.091 0 CA-C-O 120.903 0.383 . . . . 0.0 111.433 -178.022 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 29.8 mtpp -63.98 126.47 27.78 Favored 'General case' 0 C--N 1.324 -0.51 0 N-CA-C 109.382 -0.599 . . . . 0.0 109.382 176.768 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 112.16 -7.22 27.03 Favored Glycine 0 C--N 1.306 -1.1 0 N-CA-C 109.833 -1.307 . . . . 0.0 109.833 -174.001 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 19' ' ' MET . . . . . . . . . . . . . 66.6 mtt -126.33 158.66 35.27 Favored 'General case' 0 C--N 1.308 -1.209 0 N-CA-C 108.236 -1.024 . . . . 0.0 108.236 176.46 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 11.2 p -107.02 135.78 44.33 Favored 'Isoleucine or valine' 0 C--N 1.29 -1.999 0 N-CA-C 108.359 -0.978 . . . . 0.0 108.359 175.661 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 21' ' ' CYS . . . . . 0.591 ' HA ' ' SG ' ' A' ' 15' ' ' CYS . 49.8 t -76.46 113.86 14.54 Favored 'General case' 0 N--CA 1.431 -1.408 0 N-CA-C 107.771 -1.196 . . . . 0.0 107.771 178.829 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 22' ' ' ARG . . . . . 0.496 ' HA ' ' HE ' ' A' ' 22' ' ' ARG . 1.1 tpm_? -144.1 -169.41 3.11 Favored 'General case' 0 C--O 1.276 2.483 0 N-CA-C 107.043 -1.466 . . . . 0.0 107.043 -177.55 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 23' ' ' LEU . . . . . 0.492 ' H ' ' HG3' ' A' ' 22' ' ' ARG . 85.2 mt -55.52 -19.95 11.45 Favored 'General case' 0 C--O 1.219 -0.508 0 C-N-CA 123.866 0.867 . . . . 0.0 110.722 175.825 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 24' ' ' TRP . . . . . 0.539 ' HA ' ' HA ' ' A' ' 8' ' ' THR . 18.0 p90 -145.13 162.33 37.3 Favored 'General case' 0 N--CA 1.419 -2.004 0 N-CA-C 105.244 -2.132 . . . . 0.0 105.244 170.079 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 93.9 m -81.83 112.93 19.42 Favored 'General case' 0 C--N 1.303 -1.419 0 CA-C-N 119.058 0.845 . . . . 0.0 110.659 177.923 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 86.7 tttt -107.22 133.83 51.22 Favored 'General case' 0 C--N 1.294 -1.836 0 CA-C-N 115.059 -0.973 . . . . 0.0 109.342 -174.759 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 61.0 pttt -74.64 148.31 40.79 Favored 'General case' 0 C--N 1.301 -1.509 0 CA-C-O 120.928 0.394 . . . . 0.0 110.649 179.954 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 3.7 tppp? -90.45 125.79 35.69 Favored 'General case' 0 C--N 1.296 -1.756 0 N-CA-C 107.432 -1.321 . . . . 0.0 107.432 177.786 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 3.1 mm? -85.06 -32.59 22.78 Favored 'General case' 0 C--N 1.311 -1.067 0 CA-C-O 121.029 0.442 . . . . 0.0 110.413 -176.945 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 30' ' ' TRP . . . . . . . . . . . . . 91.7 m95 . . . . . 0 C--N 1.307 -1.251 0 CA-C-N 115.663 -0.699 . . . . 0.0 109.12 179.945 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 1' ' ' TYR . . . . . . . . . . . . . 97.9 m-85 . . . . . 0 CA--C 1.514 -0.435 0 CA-C-O 120.891 0.377 . . . . 0.0 110.695 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 2' ' ' CYS . . . . . . . . . . . . . 52.7 t -134.62 161.34 35.37 Favored 'General case' 0 C--N 1.308 -1.239 0 N-CA-C 109.439 -0.578 . . . . 0.0 109.439 -174.67 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 3' ' ' GLN . . . . . 0.448 ' HB2' ' HA ' ' A' ' 15' ' ' CYS . 15.1 mm100 -109.0 133.66 52.69 Favored 'General case' 0 C--N 1.311 -1.091 0 N-CA-C 108.316 -0.994 . . . . 0.0 108.316 177.548 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 98.5 mttt -91.11 163.16 14.38 Favored 'General case' 0 C--N 1.299 -1.598 0 CA-C-O 121.001 0.429 . . . . 0.0 110.102 178.094 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 5' ' ' TRP . . . . . . . . . . . . . 42.7 p90 -62.59 -26.03 68.39 Favored 'General case' 0 C--N 1.306 -1.297 0 C-N-CA 124.628 1.171 . . . . 0.0 110.648 178.264 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 6' ' ' MET . . . . . 0.544 ' HG3' ' CD1' ' A' ' 7' ' ' TRP . 26.2 ptm -78.27 -10.15 59.54 Favored 'General case' 0 C--N 1.321 -0.662 0 CA-C-N 115.272 -0.876 . . . . 0.0 110.459 179.812 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 7' ' ' TRP . . . . . 0.544 ' CD1' ' HG3' ' A' ' 6' ' ' MET . 40.7 m0 -108.6 -172.18 2.0 Favored 'General case' 0 N--CA 1.437 -1.1 0 N-CA-C 108.425 -0.954 . . . . 0.0 108.425 179.869 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 8' ' ' THR . . . . . 0.65 ' HB ' ' O ' ' A' ' 23' ' ' LEU . 70.7 p -124.68 172.79 9.0 Favored 'General case' 0 C--N 1.291 -1.943 0 N-CA-C 108.882 -0.784 . . . . 0.0 108.882 -176.748 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 9' ' ' CYS . . . . . 0.673 ' SG ' ' HB2' ' A' ' 15' ' ' CYS . 29.9 p -140.64 179.31 6.76 Favored 'General case' 0 C--O 1.251 1.134 0 C-N-CA 118.381 -1.328 . . . . 0.0 111.441 175.697 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 10' ' ' ASP . . . . . 0.456 ' CG ' ' H ' ' A' ' 11' ' ' SER . 29.8 t70 -159.46 -159.96 0.79 Allowed 'General case' 0 C--N 1.313 -0.998 0 N-CA-C 106.899 -1.519 . . . . 0.0 106.899 -176.631 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 11' ' ' SER . . . . . 0.456 ' H ' ' CG ' ' A' ' 10' ' ' ASP . 14.7 m -80.03 -30.06 39.42 Favored 'General case' 0 N--CA 1.425 -1.699 0 N-CA-C 109.047 -0.723 . . . . 0.0 109.047 177.459 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 11.8 pt-20 -79.17 -46.29 18.22 Favored 'General case' 0 CA--C 1.536 0.409 0 CA-C-N 115.978 -0.556 . . . . 0.0 110.766 178.694 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 13' ' ' ARG . . . . . 0.554 ' O ' ' HB2' ' A' ' 9' ' ' CYS . 5.5 mmp_? -99.1 111.82 24.11 Favored 'General case' 0 CA--C 1.486 -1.519 0 N-CA-C 109.357 -0.608 . . . . 0.0 109.357 174.056 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 34.2 mmtp -89.5 137.13 32.59 Favored 'General case' 0 C--N 1.278 -2.518 0 CA-C-O 121.198 0.523 . . . . 0.0 109.961 178.665 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 15' ' ' CYS . . . . . 0.673 ' HB2' ' SG ' ' A' ' 9' ' ' CYS . 8.9 t -83.46 154.6 23.84 Favored 'General case' 0 C--N 1.288 -2.102 0 CA-C-N 115.201 -0.909 . . . . 0.0 108.595 -179.368 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 55.8 m -84.02 157.98 21.64 Favored 'General case' 0 C--N 1.289 -2.047 0 CA-C-O 121.123 0.487 . . . . 0.0 111.487 -175.227 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 53.9 mtmt -63.77 142.43 58.41 Favored 'General case' 0 N--CA 1.438 -1.029 0 CA-C-N 115.27 -0.877 . . . . 0.0 109.903 179.652 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 112.16 -21.92 19.14 Favored Glycine 0 C--N 1.3 -1.454 0 N-CA-C 108.246 -1.941 . . . . 0.0 108.246 -173.419 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 19' ' ' MET . . . . . 0.46 ' HG3' ' HA ' ' A' ' 27' ' ' LYS . 4.4 mpp? -123.67 168.17 13.02 Favored 'General case' 0 N--CA 1.425 -1.676 0 N-CA-C 108.644 -0.873 . . . . 0.0 108.644 175.213 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 45.1 t -106.25 131.79 55.03 Favored 'Isoleucine or valine' 0 C--N 1.287 -2.13 0 N-CA-C 105.87 -1.9 . . . . 0.0 105.87 176.341 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 10.0 t -79.47 135.15 36.58 Favored 'General case' 0 N--CA 1.426 -1.641 0 N-CA-C 108.174 -1.047 . . . . 0.0 108.174 179.922 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 22' ' ' ARG . . . . . 0.498 ' HG3' ' H ' ' A' ' 23' ' ' LEU . 25.2 tpt180 -166.81 -172.17 2.03 Favored 'General case' 0 N--CA 1.417 -2.081 0 N-CA-C 105.5 -2.037 . . . . 0.0 105.5 -174.995 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 23' ' ' LEU . . . . . 0.65 ' O ' ' HB ' ' A' ' 8' ' ' THR . 65.7 tp -48.55 -30.31 5.15 Favored 'General case' 0 C--O 1.215 -0.758 0 C-N-CA 123.521 0.728 . . . . 0.0 110.399 174.837 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 24' ' ' TRP . . . . . 0.532 ' HA ' ' HA ' ' A' ' 8' ' ' THR . 29.2 p90 -135.9 161.41 35.7 Favored 'General case' 0 N--CA 1.434 -1.267 0 N-CA-C 106.684 -1.599 . . . . 0.0 106.684 173.389 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 53.6 m -80.5 112.77 18.16 Favored 'General case' 0 C--N 1.312 -1.033 0 C-N-CA 119.647 -0.821 . . . . 0.0 110.411 176.65 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 40.5 ttmt -95.68 122.95 38.98 Favored 'General case' 0 C--N 1.302 -1.487 0 CA-C-N 115.508 -0.769 . . . . 0.0 109.591 -177.892 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 27' ' ' LYS . . . . . 0.46 ' HA ' ' HG3' ' A' ' 19' ' ' MET . 27.9 mtpp -67.65 134.08 50.51 Favored 'General case' 0 CA--C 1.501 -0.938 0 N-CA-C 109.659 -0.497 . . . . 0.0 109.659 177.521 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 58.3 tttm -109.26 89.2 2.93 Favored 'General case' 0 C--N 1.293 -1.884 0 N-CA-C 109.126 -0.694 . . . . 0.0 109.126 -178.585 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 43.5 tp -97.01 -19.04 19.03 Favored 'General case' 0 C--N 1.295 -1.776 0 N-CA-C 108.288 -1.005 . . . . 0.0 108.288 178.594 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 30' ' ' TRP . . . . . . . . . . . . . 41.3 t-105 . . . . . 0 N--CA 1.432 -1.367 0 N-CA-C 107.638 -1.245 . . . . 0.0 107.638 178.659 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 1' ' ' TYR . . . . . . . . . . . . . 87.7 m-85 . . . . . 0 CA--C 1.506 -0.747 0 N-CA-C 108.785 -0.82 . . . . 0.0 108.785 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 2' ' ' CYS . . . . . . . . . . . . . 26.2 p -82.27 155.52 24.81 Favored 'General case' 0 N--CA 1.426 -1.633 0 N-CA-C 108.591 -0.892 . . . . 0.0 108.591 175.865 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 3' ' ' GLN . . . . . 0.445 ' HB2' ' HA ' ' A' ' 15' ' ' CYS . 14.9 mm100 -82.89 131.68 35.18 Favored 'General case' 0 C--N 1.294 -1.846 0 CA-C-O 120.922 0.392 . . . . 0.0 110.326 -177.268 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 94.9 mttt -87.67 167.1 14.17 Favored 'General case' 0 C--N 1.298 -1.663 0 CA-C-N 114.902 -1.045 . . . . 0.0 109.609 -177.788 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 5' ' ' TRP . . . . . . . . . . . . . 4.3 p-90 -57.11 -31.44 65.29 Favored 'General case' 0 C--N 1.318 -0.78 0 C-N-CA 123.925 0.89 . . . . 0.0 113.29 -175.363 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 6' ' ' MET . . . . . . . . . . . . . 61.9 ttp -76.55 -25.83 54.47 Favored 'General case' 0 C--N 1.329 -0.316 0 C-N-CA 119.872 -0.731 . . . . 0.0 110.311 -179.897 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 7' ' ' TRP . . . . . . . . . . . . . 49.6 m0 -87.83 -177.84 5.9 Favored 'General case' 0 C--N 1.291 -1.955 0 CA-C-N 115.396 -0.82 . . . . 0.0 109.685 -177.326 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 8' ' ' THR . . . . . 0.587 ' HB ' ' O ' ' A' ' 23' ' ' LEU . 75.4 p -118.06 160.03 22.21 Favored 'General case' 0 C--N 1.29 -1.981 0 N-CA-C 108.378 -0.971 . . . . 0.0 108.378 -179.876 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 9' ' ' CYS . . . . . 0.474 ' HB2' ' O ' ' A' ' 13' ' ' ARG . 26.6 p -123.46 172.08 8.99 Favored 'General case' 0 N--CA 1.437 -1.091 0 C-N-CA 117.857 -1.537 . . . . 0.0 110.122 175.504 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 15.3 t70 -154.17 -163.93 1.73 Allowed 'General case' 0 C--N 1.305 -1.355 0 N-CA-C 106.657 -1.609 . . . . 0.0 106.657 -174.967 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 33.1 t -74.96 -32.92 61.84 Favored 'General case' 0 C--N 1.297 -1.687 0 N-CA-C 109.073 -0.714 . . . . 0.0 109.073 179.913 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 41.4 mt-10 -88.24 -32.1 18.7 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-O 121.445 0.64 . . . . 0.0 110.299 179.568 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 13' ' ' ARG . . . . . 0.474 ' O ' ' HB2' ' A' ' 9' ' ' CYS . 59.6 mtm180 -98.88 111.45 23.84 Favored 'General case' 0 C--N 1.308 -1.202 0 CA-C-N 115.752 -0.658 . . . . 0.0 109.891 -177.644 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 55.4 pttt -92.36 131.28 37.67 Favored 'General case' 0 C--N 1.304 -1.397 0 CA-C-O 120.857 0.36 . . . . 0.0 110.677 -177.376 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 15' ' ' CYS . . . . . 0.445 ' HA ' ' HB2' ' A' ' 3' ' ' GLN . 9.1 t -81.97 153.02 26.46 Favored 'General case' 0 C--N 1.304 -1.406 0 CA-C-N 116.063 -0.517 . . . . 0.0 109.826 -176.38 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 16' ' ' CYS . . . . . 0.466 ' HB2' ' SD ' ' A' ' 19' ' ' MET . 82.8 m -62.93 145.31 55.55 Favored 'General case' 0 C--N 1.315 -0.901 0 CA-C-O 121.663 0.744 . . . . 0.0 112.134 -177.862 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 66.5 mttm -71.89 130.28 40.64 Favored 'General case' 0 C--N 1.304 -1.4 0 CA-C-N 115.239 -0.891 . . . . 0.0 109.015 177.557 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 107.14 -3.71 35.39 Favored Glycine 0 N--CA 1.439 -1.134 0 N-CA-C 109.409 -1.476 . . . . 0.0 109.409 -172.644 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 19' ' ' MET . . . . . 0.466 ' SD ' ' HB2' ' A' ' 16' ' ' CYS . 65.3 mtt -121.59 170.58 9.55 Favored 'General case' 0 C--N 1.312 -1.058 0 N-CA-C 108.606 -0.887 . . . . 0.0 108.606 177.842 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 98.6 t -107.13 126.82 63.21 Favored 'Isoleucine or valine' 0 C--N 1.3 -1.552 0 N-CA-C 108.302 -0.999 . . . . 0.0 108.302 177.836 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 18.4 t -90.97 130.26 36.91 Favored 'General case' 0 N--CA 1.434 -1.264 0 N-CA-C 109.0 -0.741 . . . . 0.0 109.0 -179.541 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 22' ' ' ARG . . . . . 0.564 ' HG2' ' H ' ' A' ' 23' ' ' LEU . 30.2 ttm180 -166.37 -170.74 1.74 Allowed 'General case' 0 C--O 1.28 2.694 0 N-CA-C 106.557 -1.646 . . . . 0.0 106.557 -177.209 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 23' ' ' LEU . . . . . 0.587 ' O ' ' HB ' ' A' ' 8' ' ' THR . 62.5 tp -42.09 -43.14 3.15 Favored 'General case' 0 C--N 1.358 0.966 0 C-N-CA 123.869 0.868 . . . . 0.0 109.937 175.602 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 24' ' ' TRP . . . . . 0.54 ' HA ' ' HA ' ' A' ' 8' ' ' THR . 26.3 p90 -131.68 151.44 51.63 Favored 'General case' 0 N--CA 1.428 -1.56 0 N-CA-C 107.153 -1.425 . . . . 0.0 107.153 170.982 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 57.9 m -76.2 157.89 32.21 Favored 'General case' 0 C--N 1.318 -0.77 0 CA-C-O 121.153 0.501 . . . . 0.0 111.832 -179.177 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 63.8 tttm -150.58 156.89 42.26 Favored 'General case' 0 C--O 1.198 -1.643 0 N-CA-C 106.557 -1.646 . . . . 0.0 106.557 -177.494 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 23.9 tptm -80.02 148.01 31.29 Favored 'General case' 0 N--CA 1.413 -2.292 0 CA-C-N 119.34 0.973 . . . . 0.0 109.428 178.112 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 24.6 ttmm -93.51 112.97 24.99 Favored 'General case' 0 C--N 1.293 -1.862 0 N-CA-C 108.749 -0.834 . . . . 0.0 108.749 177.76 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 2.7 mm? -95.52 -31.77 13.17 Favored 'General case' 0 C--N 1.305 -1.36 0 N-CA-C 109.215 -0.661 . . . . 0.0 109.215 179.226 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 30' ' ' TRP . . . . . . . . . . . . . 93.4 m95 . . . . . 0 N--CA 1.428 -1.545 0 N-CA-C 107.669 -1.234 . . . . 0.0 107.669 -179.937 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 1' ' ' TYR . . . . . . . . . . . . . 79.7 t80 . . . . . 0 C--O 1.236 0.343 0 N-CA-C 109.793 -0.447 . . . . 0.0 109.793 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 2' ' ' CYS . . . . . . . . . . . . . 37.3 t -95.94 157.97 15.66 Favored 'General case' 0 C--N 1.308 -1.206 0 N-CA-C 109.671 -0.492 . . . . 0.0 109.671 -179.023 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 15.3 mm100 -95.4 151.48 19.24 Favored 'General case' 0 C--N 1.301 -1.531 0 CA-C-N 115.915 -0.584 . . . . 0.0 109.645 -179.932 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 47.5 mmtm -94.54 157.43 15.99 Favored 'General case' 0 C--N 1.295 -1.804 0 N-CA-C 107.726 -1.213 . . . . 0.0 107.726 173.883 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 5' ' ' TRP . . . . . . . . . . . . . 12.9 p-90 -61.34 -21.82 64.35 Favored 'General case' 0 C--N 1.307 -1.255 0 CA-C-O 121.413 0.625 . . . . 0.0 110.925 -179.621 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 6' ' ' MET . . . . . . . . . . . . . 26.6 ptt? -84.92 -6.95 59.34 Favored 'General case' 0 N--CA 1.437 -1.099 0 CA-C-N 115.557 -0.747 . . . . 0.0 111.235 -178.755 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 7' ' ' TRP . . . . . . . . . . . . . 54.6 m0 -100.3 -176.15 3.14 Favored 'General case' 0 C--O 1.244 0.796 0 CA-C-O 120.854 0.359 . . . . 0.0 110.142 -178.984 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 8' ' ' THR . . . . . 0.561 ' HB ' ' O ' ' A' ' 23' ' ' LEU . 71.8 p -129.97 178.65 6.38 Favored 'General case' 0 C--N 1.303 -1.434 0 N-CA-C 108.294 -1.002 . . . . 0.0 108.294 -176.576 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 9' ' ' CYS . . . . . 0.609 ' HB2' ' O ' ' A' ' 13' ' ' ARG . 23.3 p -134.9 170.72 15.44 Favored 'General case' 0 N--CA 1.445 -0.695 0 C-N-CA 117.947 -1.501 . . . . 0.0 110.909 173.996 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 14.7 t70 -158.78 -137.74 0.05 Allowed 'General case' 0 C--N 1.315 -0.908 0 N-CA-C 106.818 -1.549 . . . . 0.0 106.818 179.899 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 13.0 p -80.14 -45.07 18.8 Favored 'General case' 0 C--N 1.313 -0.991 0 CA-C-N 118.734 0.697 . . . . 0.0 112.454 -178.9 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 26.9 mm-40 -77.2 -51.16 11.43 Favored 'General case' 0 C--N 1.323 -0.56 0 CA-C-O 121.337 0.589 . . . . 0.0 110.302 179.963 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 13' ' ' ARG . . . . . 0.609 ' O ' ' HB2' ' A' ' 9' ' ' CYS . 2.1 mmp_? -90.7 118.52 30.2 Favored 'General case' 0 C--N 1.298 -1.666 0 CA-C-N 115.79 -0.641 . . . . 0.0 110.788 -179.49 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 99.0 mttt -106.4 141.34 37.87 Favored 'General case' 0 C--N 1.297 -1.715 0 N-CA-C 108.996 -0.742 . . . . 0.0 108.996 173.808 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 15' ' ' CYS . . . . . 0.519 ' SG ' ' HB3' ' A' ' 9' ' ' CYS . 81.7 m -73.78 147.49 43.38 Favored 'General case' 0 C--N 1.32 -0.703 0 N-CA-C 108.841 -0.8 . . . . 0.0 108.841 176.572 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 56.5 m -74.54 157.77 34.92 Favored 'General case' 0 C--N 1.299 -1.604 0 CA-C-N 116.635 -0.257 . . . . 0.0 110.915 -178.053 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 40.1 ttmt -59.65 136.89 58.13 Favored 'General case' 0 C--N 1.323 -0.558 0 N-CA-C 108.93 -0.767 . . . . 0.0 108.93 178.094 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 107.2 -15.83 39.12 Favored Glycine 0 C--N 1.304 -1.234 0 N-CA-C 108.791 -1.723 . . . . 0.0 108.791 -173.015 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 19' ' ' MET . . . . . 0.436 ' HG2' ' HA ' ' A' ' 27' ' ' LYS . 73.0 mtm -125.2 165.78 17.66 Favored 'General case' 0 N--CA 1.429 -1.487 0 N-CA-C 107.587 -1.264 . . . . 0.0 107.587 174.093 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 11.2 t -106.17 135.73 43.36 Favored 'Isoleucine or valine' 0 C--N 1.288 -2.077 0 N-CA-C 106.679 -1.6 . . . . 0.0 106.679 178.951 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 38.6 t -87.49 104.43 16.46 Favored 'General case' 0 N--CA 1.423 -1.793 0 N-CA-C 107.835 -1.172 . . . . 0.0 107.835 178.819 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 22' ' ' ARG . . . . . 0.428 ' HB3' ' H ' ' A' ' 23' ' ' LEU . 96.3 mtt180 -135.71 -163.3 1.37 Allowed 'General case' 0 C--O 1.272 2.284 0 CA-C-N 114.896 -1.047 . . . . 0.0 109.194 -179.204 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 23' ' ' LEU . . . . . 0.561 ' O ' ' HB ' ' A' ' 8' ' ' THR . 54.7 tp -53.33 -27.15 21.8 Favored 'General case' 0 C--O 1.21 -1.01 0 CA-C-N 114.724 -1.126 . . . . 0.0 109.561 174.688 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 24' ' ' TRP . . . . . 0.482 ' HA ' HG22 ' A' ' 8' ' ' THR . 17.2 p90 -139.07 165.16 27.87 Favored 'General case' 0 N--CA 1.428 -1.567 0 N-CA-C 106.692 -1.596 . . . . 0.0 106.692 173.953 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 85.6 m -82.99 112.31 19.64 Favored 'General case' 0 C--N 1.318 -0.77 0 C-N-CA 119.527 -0.869 . . . . 0.0 108.882 175.601 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 59.9 tttm -96.4 119.99 35.89 Favored 'General case' 0 C--N 1.301 -1.511 0 N-CA-C 109.237 -0.653 . . . . 0.0 109.237 -177.962 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 27' ' ' LYS . . . . . 0.436 ' HA ' ' HG2' ' A' ' 19' ' ' MET . 22.7 pttp -80.72 133.06 35.62 Favored 'General case' 0 C--N 1.302 -1.482 0 CA-C-O 121.407 0.623 . . . . 0.0 110.714 179.751 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 96.1 mttt -95.39 157.74 15.76 Favored 'General case' 0 C--N 1.297 -1.686 0 CA-C-N 114.99 -1.005 . . . . 0.0 109.332 -178.884 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 3.8 pp -105.31 -24.73 12.64 Favored 'General case' 0 C--N 1.298 -1.658 0 N-CA-C 109.052 -0.722 . . . . 0.0 109.052 171.32 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 30' ' ' TRP . . . . . . . . . . . . . 75.8 t-105 . . . . . 0 CA--C 1.505 -0.774 0 N-CA-C 106.831 -1.544 . . . . 0.0 106.831 175.61 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 1' ' ' TYR . . . . . . . . . . . . . 67.9 t80 . . . . . 0 C--O 1.238 0.454 0 N-CA-C 110.414 -0.217 . . . . 0.0 110.414 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 2' ' ' CYS . . . . . . . . . . . . . 24.9 t -166.0 155.26 11.74 Favored 'General case' 0 N--CA 1.441 -0.899 0 N-CA-C 108.319 -0.993 . . . . 0.0 108.319 -178.816 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 15.0 mm100 -111.29 140.45 45.86 Favored 'General case' 0 C--N 1.301 -1.54 0 N-CA-C 108.082 -1.081 . . . . 0.0 108.082 178.615 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 67.2 mttm -94.72 164.39 12.97 Favored 'General case' 0 C--N 1.301 -1.514 0 N-CA-C 109.629 -0.508 . . . . 0.0 109.629 178.538 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 5' ' ' TRP . . . . . . . . . . . . . 32.7 p90 -69.26 -14.67 63.08 Favored 'General case' 0 N--CA 1.488 1.469 0 CA-C-O 122.499 1.143 . . . . 0.0 110.639 -179.826 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 6' ' ' MET . . . . . . . . . . . . . 22.1 ptp -92.82 1.34 57.34 Favored 'General case' 0 C--N 1.301 -1.542 0 CA-C-N 114.401 -1.272 . . . . 0.0 109.305 179.945 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 7' ' ' TRP . . . . . . . . . . . . . 52.4 m0 -116.57 -174.29 2.54 Favored 'General case' 0 C--O 1.246 0.875 0 N-CA-C 108.118 -1.068 . . . . 0.0 108.118 178.692 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 8' ' ' THR . . . . . 0.536 ' HA ' ' HA ' ' A' ' 24' ' ' TRP . 46.2 p -131.13 172.62 11.9 Favored 'General case' 0 C--N 1.298 -1.659 0 CA-C-O 118.963 -0.541 . . . . 0.0 109.562 -175.165 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 9' ' ' CYS . . . . . 0.592 ' HB2' ' O ' ' A' ' 13' ' ' ARG . 19.0 p -127.69 -179.77 5.11 Favored 'General case' 0 C--O 1.239 0.523 0 C-N-CA 116.495 -2.082 . . . . 0.0 111.725 177.331 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 6.5 m-20 -142.78 -161.64 1.28 Allowed 'General case' 0 C--N 1.315 -0.927 0 N-CA-C 106.532 -1.655 . . . . 0.0 106.532 -177.497 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 16.0 m -82.93 -32.45 27.18 Favored 'General case' 0 C--N 1.305 -1.36 0 N-CA-C 108.676 -0.861 . . . . 0.0 108.676 173.537 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 10.3 pt-20 -79.02 -44.15 22.83 Favored 'General case' 0 CA--C 1.535 0.368 0 CA-C-N 115.769 -0.651 . . . . 0.0 111.205 178.852 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 13' ' ' ARG . . . . . 0.592 ' O ' ' HB2' ' A' ' 9' ' ' CYS . 37.3 mtm180 -99.6 116.86 32.71 Favored 'General case' 0 CA--C 1.496 -1.134 0 N-CA-C 109.119 -0.697 . . . . 0.0 109.119 177.702 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 14.9 ptmm? -104.92 151.46 23.85 Favored 'General case' 0 C--N 1.293 -1.887 0 N-CA-C 108.825 -0.806 . . . . 0.0 108.825 177.289 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 15' ' ' CYS . . . . . 0.62 ' SG ' ' HA ' ' A' ' 21' ' ' CYS . 59.3 m -68.82 153.62 43.47 Favored 'General case' 0 C--N 1.307 -1.259 0 N-CA-C 108.251 -1.018 . . . . 0.0 108.251 175.241 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 81.0 m -75.86 161.61 28.84 Favored 'General case' 0 C--N 1.299 -1.602 0 N-CA-C 111.673 0.249 . . . . 0.0 111.673 -176.217 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 25.0 ttmm -58.83 121.49 11.26 Favored 'General case' 0 C--O 1.239 0.546 0 N-CA-C 109.738 -0.467 . . . . 0.0 109.738 -178.876 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 111.43 8.07 23.58 Favored Glycine 0 N--CA 1.439 -1.157 0 N-CA-C 110.03 -1.228 . . . . 0.0 110.03 -174.134 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 19' ' ' MET . . . . . 0.407 ' HG2' ' HA ' ' A' ' 27' ' ' LYS . 64.0 mtt -139.77 158.14 44.59 Favored 'General case' 0 C--N 1.315 -0.913 0 N-CA-C 107.79 -1.189 . . . . 0.0 107.79 176.856 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 8.2 p -106.5 134.65 47.49 Favored 'Isoleucine or valine' 0 C--N 1.291 -1.948 0 N-CA-C 108.202 -1.036 . . . . 0.0 108.202 175.339 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 21' ' ' CYS . . . . . 0.62 ' HA ' ' SG ' ' A' ' 15' ' ' CYS . 43.8 t -88.14 107.35 18.72 Favored 'General case' 0 C--N 1.309 -1.163 0 CA-C-N 116.005 -0.543 . . . . 0.0 110.404 -175.081 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 99.1 mtt180 -143.81 -157.37 0.77 Allowed 'General case' 0 C--O 1.288 3.083 0 CA-C-N 115.122 -0.945 . . . . 0.0 110.258 179.309 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 23' ' ' LEU . . . . . 0.492 ' O ' ' HB ' ' A' ' 8' ' ' THR . 61.2 tp -45.76 -42.12 11.6 Favored 'General case' 0 CA--C 1.508 -0.653 0 CA-C-N 114.873 -1.058 . . . . 0.0 109.279 176.02 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 24' ' ' TRP . . . . . 0.536 ' HA ' ' HA ' ' A' ' 8' ' ' THR . 35.6 p90 -132.35 166.12 22.68 Favored 'General case' 0 N--CA 1.421 -1.885 0 N-CA-C 108.225 -1.028 . . . . 0.0 108.225 172.13 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 78.3 m -83.76 113.28 20.79 Favored 'General case' 0 C--N 1.307 -1.274 0 CA-C-O 121.274 0.559 . . . . 0.0 109.977 177.358 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 83.6 tttt -105.38 120.5 41.73 Favored 'General case' 0 N--CA 1.416 -2.134 0 N-CA-C 108.477 -0.935 . . . . 0.0 108.477 -177.801 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 27' ' ' LYS . . . . . 0.407 ' HA ' ' HG2' ' A' ' 19' ' ' MET . 23.5 pttm -75.17 172.67 11.97 Favored 'General case' 0 C--N 1.295 -1.787 0 N-CA-C 113.32 0.859 . . . . 0.0 113.32 -173.816 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 18.6 ttmm -71.1 99.85 1.92 Allowed 'General case' 0 N--CA 1.424 -1.774 0 CA-C-N 114.823 -1.08 . . . . 0.0 112.026 178.629 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 3.1 mm? -103.53 6.19 37.24 Favored 'General case' 0 C--N 1.307 -1.25 0 N-CA-C 107.366 -1.346 . . . . 0.0 107.366 168.488 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 30' ' ' TRP . . . . . . . . . . . . . 8.2 m-90 . . . . . 0 C--O 1.255 1.367 0 N-CA-C 107.088 -1.449 . . . . 0.0 107.088 -179.199 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 1' ' ' TYR . . . . . . . . . . . . . 92.1 m-85 . . . . . 0 CA--C 1.488 -1.427 0 N-CA-C 108.274 -1.01 . . . . 0.0 108.274 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 2' ' ' CYS . . . . . . . . . . . . . 26.2 p -95.36 154.66 17.09 Favored 'General case' 0 N--CA 1.421 -1.888 0 N-CA-C 108.275 -1.009 . . . . 0.0 108.275 174.616 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 3' ' ' GLN . . . . . 0.467 ' HB2' ' HA ' ' A' ' 15' ' ' CYS . 14.4 mm100 -83.06 128.3 34.36 Favored 'General case' 0 C--N 1.292 -1.905 0 CA-C-O 121.029 0.443 . . . . 0.0 109.812 -178.945 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 92.0 mttt -83.25 168.75 16.43 Favored 'General case' 0 C--N 1.295 -1.775 0 N-CA-C 109.045 -0.724 . . . . 0.0 109.045 -178.571 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 5' ' ' TRP . . . . . 0.412 ' CE3' ' HD2' ' A' ' 27' ' ' LYS . 28.2 p-90 -60.99 -23.45 65.39 Favored 'General case' 0 N--CA 1.484 1.243 0 C-N-CA 122.883 0.473 . . . . 0.0 111.845 -175.755 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 6' ' ' MET . . . . . . . . . . . . . 15.8 tpt -70.79 -28.51 64.71 Favored 'General case' 0 N--CA 1.432 -1.353 0 CA-C-O 122.115 0.96 . . . . 0.0 110.127 -179.392 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 7' ' ' TRP . . . . . . . . . . . . . 31.7 m0 -99.66 -168.2 1.57 Allowed 'General case' 0 C--N 1.305 -1.345 0 CA-C-N 114.91 -1.041 . . . . 0.0 111.182 -175.48 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 8' ' ' THR . . . . . 0.483 ' HA ' ' HA ' ' A' ' 24' ' ' TRP . 70.4 p -124.8 166.21 16.62 Favored 'General case' 0 C--N 1.307 -1.25 0 N-CA-C 107.279 -1.378 . . . . 0.0 107.279 -179.256 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 9' ' ' CYS . . . . . 0.564 ' SG ' ' HB2' ' A' ' 15' ' ' CYS . 26.0 p -135.56 177.11 8.08 Favored 'General case' 0 CA--C 1.502 -0.88 0 C-N-CA 117.483 -1.687 . . . . 0.0 111.491 179.541 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 24.7 m-20 -142.72 -170.72 3.28 Favored 'General case' 0 C--N 1.315 -0.892 0 N-CA-C 108.212 -1.033 . . . . 0.0 108.212 -176.237 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 36.0 p -77.4 -24.76 50.44 Favored 'General case' 0 C--N 1.312 -1.04 0 CA-C-O 122.241 1.02 . . . . 0.0 108.746 174.253 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 8.3 mm-40 -89.75 -47.09 8.14 Favored 'General case' 0 N--CA 1.437 -1.111 0 CA-C-N 114.544 -1.207 . . . . 0.0 109.199 -177.755 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 23.9 mtp180 -90.0 111.61 22.76 Favored 'General case' 0 N--CA 1.427 -1.617 0 CA-C-N 115.826 -0.625 . . . . 0.0 109.495 178.313 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 19.1 ptpt -80.14 140.23 36.48 Favored 'General case' 0 C--N 1.314 -0.96 0 CA-C-O 121.076 0.465 . . . . 0.0 110.858 -178.235 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 15' ' ' CYS . . . . . 0.564 ' HB2' ' SG ' ' A' ' 9' ' ' CYS . 26.0 t -87.58 160.2 18.28 Favored 'General case' 0 C--N 1.288 -2.081 0 N-CA-C 108.341 -0.985 . . . . 0.0 108.341 177.501 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 78.4 m -69.61 138.56 53.21 Favored 'General case' 0 C--N 1.306 -1.324 0 CA-C-O 121.449 0.642 . . . . 0.0 109.812 177.807 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 56.7 mtpt -77.97 134.24 37.88 Favored 'General case' 0 N--CA 1.42 -1.971 0 CA-C-N 115.653 -0.703 . . . . 0.0 109.508 -177.841 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 113.75 -15.14 21.85 Favored Glycine 0 N--CA 1.43 -1.724 0 N-CA-C 108.117 -1.993 . . . . 0.0 108.117 -167.608 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 19' ' ' MET . . . . . . . . . . . . . 2.2 mpt? -110.76 171.7 7.31 Favored 'General case' 0 N--CA 1.444 -0.735 0 N-CA-C 107.682 -1.229 . . . . 0.0 107.682 170.512 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 20' ' ' VAL . . . . . 0.496 ' HB ' ' HB3' ' A' ' 26' ' ' LYS . 22.8 t -106.1 123.58 60.84 Favored 'Isoleucine or valine' 0 C--N 1.302 -1.496 0 N-CA-C 107.183 -1.414 . . . . 0.0 107.183 176.877 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 29.4 t -84.02 120.68 26.42 Favored 'General case' 0 C--N 1.31 -1.146 0 N-CA-C 109.807 -0.442 . . . . 0.0 109.807 -179.234 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 22' ' ' ARG . . . . . 0.584 ' HA ' ' NE ' ' A' ' 22' ' ' ARG . 3.0 mmp_? -151.77 -158.06 0.87 Allowed 'General case' 0 C--O 1.271 2.229 0 C-N-CA 124.87 1.268 . . . . 0.0 108.711 178.396 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 23' ' ' LEU . . . . . 0.484 ' H ' ' HB3' ' A' ' 22' ' ' ARG . 57.2 tp -57.24 -19.41 21.24 Favored 'General case' 0 CA--C 1.544 0.716 0 CA-C-N 114.686 -1.143 . . . . 0.0 109.566 176.607 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 24' ' ' TRP . . . . . 0.483 ' HA ' ' HA ' ' A' ' 8' ' ' THR . 8.3 p90 -143.15 161.21 38.83 Favored 'General case' 0 N--CA 1.421 -1.92 0 N-CA-C 105.852 -1.907 . . . . 0.0 105.852 171.94 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 33.2 m -86.94 117.93 25.99 Favored 'General case' 0 C--N 1.301 -1.514 0 C-N-CA 120.076 -0.65 . . . . 0.0 109.344 174.596 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 26' ' ' LYS . . . . . 0.496 ' HB3' ' HB ' ' A' ' 20' ' ' VAL . 84.1 tttt -91.75 121.88 33.78 Favored 'General case' 0 C--N 1.296 -1.76 0 CA-C-N 115.914 -0.584 . . . . 0.0 109.518 -176.994 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 27' ' ' LYS . . . . . 0.412 ' HD2' ' CE3' ' A' ' 5' ' ' TRP . 15.0 ptmm? -67.67 148.37 51.43 Favored 'General case' 0 C--N 1.315 -0.927 0 N-CA-C 108.752 -0.833 . . . . 0.0 108.752 175.094 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 63.3 tttm 68.72 96.95 0.06 Allowed 'General case' 0 C--N 1.317 -0.832 0 O-C-N 124.451 1.094 . . . . 0.0 110.39 -179.308 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 57.5 tp -50.3 -41.74 51.39 Favored 'General case' 0 C--O 1.245 0.823 0 C-N-CA 125.229 1.412 . . . . 0.0 112.589 -176.334 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 30' ' ' TRP . . . . . . . . . . . . . 51.5 t-105 . . . . . 0 C--N 1.306 -1.298 0 N-CA-C 107.863 -1.162 . . . . 0.0 107.863 178.116 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 1' ' ' TYR . . . . . . . . . . . . . 93.8 m-85 . . . . . 0 CA--C 1.504 -0.797 0 N-CA-C 108.704 -0.85 . . . . 0.0 108.704 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 2' ' ' CYS . . . . . . . . . . . . . 13.8 p -96.92 165.78 11.93 Favored 'General case' 0 C--N 1.294 -1.83 0 N-CA-C 108.448 -0.945 . . . . 0.0 108.448 176.592 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 3' ' ' GLN . . . . . 0.538 ' HB2' ' HA ' ' A' ' 15' ' ' CYS . 13.5 mm100 -84.27 119.48 25.1 Favored 'General case' 0 C--N 1.298 -1.657 0 C-N-CA 120.067 -0.653 . . . . 0.0 109.751 178.676 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 62.8 mttp -72.64 176.3 5.62 Favored 'General case' 0 C--N 1.323 -0.55 0 CA-C-O 121.198 0.523 . . . . 0.0 111.41 179.363 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 5' ' ' TRP . . . . . . . . . . . . . 46.9 p90 -64.55 -24.22 67.53 Favored 'General case' 0 C--N 1.318 -0.78 0 C-N-CA 124.371 1.068 . . . . 0.0 110.758 -178.992 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 6' ' ' MET . . . . . . . . . . . . . 48.4 ttm -86.67 -15.39 39.78 Favored 'General case' 0 C--N 1.31 -1.112 0 CA-C-N 114.819 -1.082 . . . . 0.0 110.338 -178.564 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 7' ' ' TRP . . . . . . . . . . . . . 49.7 m0 -101.44 -176.46 3.15 Favored 'General case' 0 C--N 1.298 -1.663 0 CA-C-N 115.654 -0.703 . . . . 0.0 110.928 -179.516 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 8' ' ' THR . . . . . 0.557 ' HB ' ' O ' ' A' ' 23' ' ' LEU . 70.4 p -128.1 163.22 25.08 Favored 'General case' 0 C--N 1.302 -1.49 0 N-CA-C 108.942 -0.762 . . . . 0.0 108.942 -175.656 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 9' ' ' CYS . . . . . 0.564 ' HB2' ' O ' ' A' ' 13' ' ' ARG . 31.9 p -130.59 175.1 9.28 Favored 'General case' 0 C--O 1.244 0.77 0 C-N-CA 118.314 -1.354 . . . . 0.0 110.881 178.888 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 18.3 m-20 -146.8 -158.22 0.89 Allowed 'General case' 0 CA--C 1.504 -0.79 0 N-CA-C 107.244 -1.391 . . . . 0.0 107.244 -176.618 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 20.6 m -65.04 -42.37 94.35 Favored 'General case' 0 C--N 1.311 -1.076 0 CA-C-O 120.767 0.317 . . . . 0.0 111.17 178.687 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 39.3 mm-40 -89.46 -54.32 4.14 Favored 'General case' 0 C--N 1.322 -0.611 0 C-N-CA 120.181 -0.608 . . . . 0.0 112.11 -179.528 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 13' ' ' ARG . . . . . 0.564 ' O ' ' HB2' ' A' ' 9' ' ' CYS . 83.9 mtm180 -62.23 122.63 16.1 Favored 'General case' 0 N--CA 1.474 0.741 0 N-CA-C 111.613 0.227 . . . . 0.0 111.613 -179.362 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 22.4 ptmt -104.84 144.94 31.08 Favored 'General case' 0 C--N 1.319 -0.726 0 CA-C-N 116.036 -0.529 . . . . 0.0 110.722 -178.816 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 15' ' ' CYS . . . . . 0.538 ' HA ' ' HB2' ' A' ' 3' ' ' GLN . 57.5 m -79.7 164.86 23.4 Favored 'General case' 0 C--N 1.308 -1.206 0 N-CA-C 109.666 -0.494 . . . . 0.0 109.666 178.32 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 60.7 m -66.25 153.71 41.82 Favored 'General case' 0 C--N 1.295 -1.797 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.088 177.1 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 58.1 tptt -56.25 119.33 5.79 Favored 'General case' 0 C--O 1.24 0.578 0 C-N-CA 123.111 0.565 . . . . 0.0 110.42 179.607 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 106.73 14.55 19.19 Favored Glycine 0 N--CA 1.436 -1.339 0 C-N-CA 120.564 -0.827 . . . . 0.0 111.298 -178.558 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 19' ' ' MET . . . . . . . . . . . . . 65.1 mtt -129.06 158.68 38.25 Favored 'General case' 0 C--N 1.311 -1.081 0 N-CA-C 109.087 -0.708 . . . . 0.0 109.087 176.728 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 33.2 m -106.44 143.4 17.36 Favored 'Isoleucine or valine' 0 C--N 1.305 -1.347 0 N-CA-C 108.441 -0.948 . . . . 0.0 108.441 176.963 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 13.8 t -89.81 138.58 31.36 Favored 'General case' 0 C--N 1.293 -1.878 0 N-CA-C 109.395 -0.594 . . . . 0.0 109.395 -177.342 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 22' ' ' ARG . . . . . 0.533 ' HG2' ' H ' ' A' ' 23' ' ' LEU . 70.6 ttt180 -171.25 -171.4 0.95 Allowed 'General case' 0 C--O 1.27 2.155 0 N-CA-C 105.875 -1.898 . . . . 0.0 105.875 -179.063 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 23' ' ' LEU . . . . . 0.557 ' O ' ' HB ' ' A' ' 8' ' ' THR . 92.4 mt -48.39 -25.69 1.73 Allowed 'General case' 0 C--O 1.213 -0.822 0 C-N-CA 123.537 0.735 . . . . 0.0 111.632 175.119 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 24' ' ' TRP . . . . . 0.534 ' HA ' ' HA ' ' A' ' 8' ' ' THR . 18.1 p90 -138.92 159.59 41.76 Favored 'General case' 0 N--CA 1.426 -1.653 0 N-CA-C 106.982 -1.488 . . . . 0.0 106.982 172.872 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 88.7 m -87.51 125.13 34.14 Favored 'General case' 0 C--N 1.315 -0.898 0 CA-C-N 118.331 0.514 . . . . 0.0 110.215 177.966 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 40.2 ttpt -118.26 141.28 48.68 Favored 'General case' 0 C--N 1.302 -1.461 0 N-CA-C 109.103 -0.703 . . . . 0.0 109.103 -177.251 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 95.3 mttt -71.3 138.03 48.99 Favored 'General case' 0 C--N 1.311 -1.081 0 CA-C-O 121.236 0.541 . . . . 0.0 110.587 -178.993 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 86.2 tttt -100.26 88.05 3.59 Favored 'General case' 0 C--N 1.292 -1.908 0 N-CA-C 107.333 -1.358 . . . . 0.0 107.333 179.484 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 29' ' ' LEU . . . . . 0.613 ' H ' HD23 ' A' ' 29' ' ' LEU . 2.3 pt? -107.94 5.02 25.91 Favored 'General case' 0 C--N 1.304 -1.398 0 CA-C-O 121.272 0.558 . . . . 0.0 110.367 -178.547 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 30' ' ' TRP . . . . . . . . . . . . . 79.3 m95 . . . . . 0 C--N 1.303 -1.414 0 CA-C-N 115.464 -0.789 . . . . 0.0 108.904 -177.858 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 1' ' ' TYR . . . . . . . . . . . . . 93.0 m-85 . . . . . 0 CA--C 1.503 -0.842 0 N-CA-C 108.802 -0.814 . . . . 0.0 108.802 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 2' ' ' CYS . . . . . . . . . . . . . 49.5 t -82.67 160.4 22.43 Favored 'General case' 0 C--N 1.308 -1.239 0 N-CA-C 106.534 -1.654 . . . . 0.0 106.534 176.227 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 3' ' ' GLN . . . . . 0.511 ' OE1' ' HA ' ' A' ' 9' ' ' CYS . 5.4 mt-30 -100.31 123.87 45.08 Favored 'General case' 0 C--N 1.303 -1.449 0 C-N-CA 118.572 -1.251 . . . . 0.0 112.25 -176.049 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 92.3 mttt -78.66 163.91 25.05 Favored 'General case' 0 C--N 1.314 -0.963 0 CA-C-N 113.807 -1.542 . . . . 0.0 110.438 -176.266 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 5' ' ' TRP . . . . . . . . . . . . . 13.6 p-90 -58.25 -27.87 64.38 Favored 'General case' 0 N--CA 1.482 1.163 0 C-N-CA 123.459 0.704 . . . . 0.0 111.728 -176.177 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 6' ' ' MET . . . . . . . . . . . . . 49.6 ttm -79.54 -13.77 59.31 Favored 'General case' 0 C--N 1.313 -1.01 0 CA-C-O 121.506 0.669 . . . . 0.0 111.099 -177.23 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 7' ' ' TRP . . . . . 0.428 ' CE3' ' HA ' ' A' ' 3' ' ' GLN . 41.9 m0 -96.89 -174.08 2.88 Favored 'General case' 0 C--N 1.294 -1.811 0 CA-C-N 115.725 -0.67 . . . . 0.0 109.862 -177.601 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 8' ' ' THR . . . . . 0.552 HG22 ' HA ' ' A' ' 24' ' ' TRP . 34.0 p -131.0 156.23 45.47 Favored 'General case' 0 C--N 1.295 -1.784 0 N-CA-C 106.829 -1.545 . . . . 0.0 106.829 179.53 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 9' ' ' CYS . . . . . 0.593 ' HB2' ' O ' ' A' ' 13' ' ' ARG . 31.9 p -120.47 170.26 9.55 Favored 'General case' 0 CA--C 1.504 -0.795 0 C-N-CA 116.98 -1.888 . . . . 0.0 112.184 -179.011 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 4.3 p30 -132.82 -160.0 1.01 Allowed 'General case' 0 C--N 1.309 -1.189 0 N-CA-C 107.374 -1.343 . . . . 0.0 107.374 179.563 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 50.3 p -74.76 -40.95 60.91 Favored 'General case' 0 C--N 1.308 -1.215 0 CA-C-N 118.385 0.539 . . . . 0.0 111.267 -178.622 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 12.7 mm-40 -82.49 -44.7 15.64 Favored 'General case' 0 N--CA 1.434 -1.271 0 CA-C-N 115.634 -0.712 . . . . 0.0 109.133 -173.497 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 13' ' ' ARG . . . . . 0.593 ' O ' ' HB2' ' A' ' 9' ' ' CYS . 5.2 mmp_? -98.61 115.89 29.64 Favored 'General case' 0 CA--C 1.492 -1.275 0 CA-C-N 115.664 -0.698 . . . . 0.0 110.135 177.052 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 14' ' ' LYS . . . . . 0.436 ' HA ' ' SG ' ' A' ' 21' ' ' CYS . 57.7 mttp -105.85 157.16 17.67 Favored 'General case' 0 C--N 1.293 -1.872 0 O-C-N 123.66 0.6 . . . . 0.0 110.839 -179.73 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 15' ' ' CYS . . . . . 0.486 ' HA ' ' HB2' ' A' ' 3' ' ' GLN . 60.1 m -76.6 159.92 29.87 Favored 'General case' 0 C--O 1.248 0.996 0 CA-C-N 116.597 -0.274 . . . . 0.0 110.294 177.906 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 16' ' ' CYS . . . . . 0.412 ' O ' ' HB2' ' A' ' 19' ' ' MET . 85.8 m -65.14 165.86 10.6 Favored 'General case' 0 C--N 1.305 -1.352 0 N-CA-C 113.488 0.922 . . . . 0.0 113.488 -179.287 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 39.7 ttmt -64.92 141.1 58.89 Favored 'General case' 0 C--N 1.32 -0.685 0 CA-C-N 115.056 -0.974 . . . . 0.0 109.382 177.219 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 92.52 -3.56 75.37 Favored Glycine 0 N--CA 1.435 -1.401 0 N-CA-C 109.372 -1.491 . . . . 0.0 109.372 -175.654 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 19' ' ' MET . . . . . 0.412 ' HB2' ' O ' ' A' ' 16' ' ' CYS . 60.4 mtt -129.26 154.9 46.37 Favored 'General case' 0 N--CA 1.428 -1.57 0 N-CA-C 108.273 -1.01 . . . . 0.0 108.273 178.704 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 7.4 p -106.58 132.01 54.91 Favored 'Isoleucine or valine' 0 C--N 1.281 -2.372 0 N-CA-C 108.232 -1.025 . . . . 0.0 108.232 178.558 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 21' ' ' CYS . . . . . 0.436 ' SG ' ' HA ' ' A' ' 14' ' ' LYS . 35.2 t -76.08 110.75 10.82 Favored 'General case' 0 N--CA 1.427 -1.617 0 N-CA-C 108.129 -1.063 . . . . 0.0 108.129 179.771 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 22' ' ' ARG . . . . . 0.488 ' HB3' ' H ' ' A' ' 23' ' ' LEU . 21.1 mmm180 -140.39 -161.86 1.26 Allowed 'General case' 0 C--O 1.287 3.03 0 CA-C-N 115.58 -0.737 . . . . 0.0 110.207 -178.776 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 23' ' ' LEU . . . . . 0.488 ' H ' ' HB3' ' A' ' 22' ' ' ARG . 55.0 tp -52.09 -39.63 60.06 Favored 'General case' 0 CA--C 1.512 -0.486 0 CA-C-N 113.641 -1.618 . . . . 0.0 107.792 177.876 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 24' ' ' TRP . . . . . 0.552 ' HA ' HG22 ' A' ' 8' ' ' THR . 36.1 p90 -130.55 165.49 22.62 Favored 'General case' 0 N--CA 1.417 -2.114 0 N-CA-C 107.403 -1.332 . . . . 0.0 107.403 171.311 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 99.4 m -76.59 115.48 16.38 Favored 'General case' 0 C--N 1.31 -1.112 0 CA-C-O 121.593 0.711 . . . . 0.0 109.654 176.348 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 52.8 tttm -114.92 129.51 56.72 Favored 'General case' 0 N--CA 1.415 -2.217 0 CA-C-N 115.255 -0.884 . . . . 0.0 109.567 -175.387 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 8.5 mtpm? -64.73 130.77 44.8 Favored 'General case' 0 N--CA 1.44 -0.943 0 N-CA-C 108.783 -0.821 . . . . 0.0 108.783 174.92 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 65.0 tttp -104.84 97.23 7.14 Favored 'General case' 0 C--N 1.278 -2.518 0 CA-C-N 114.615 -1.175 . . . . 0.0 110.413 -173.886 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 89.9 mt -84.24 -47.94 10.28 Favored 'General case' 0 C--N 1.302 -1.491 0 N-CA-C 106.364 -1.717 . . . . 0.0 106.364 173.678 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 30' ' ' TRP . . . . . . . . . . . . . 11.0 m-90 . . . . . 0 N--CA 1.426 -1.663 0 CA-C-N 114.826 -1.079 . . . . 0.0 108.49 178.146 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 1' ' ' TYR . . . . . . . . . . . . . 41.9 p90 . . . . . 0 CA--C 1.507 -0.693 0 N-CA-C 109.716 -0.476 . . . . 0.0 109.716 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 2' ' ' CYS . . . . . 0.401 ' HB3' ' HB2' ' A' ' 16' ' ' CYS . 43.6 m -151.69 143.26 23.56 Favored 'General case' 0 C--N 1.299 -1.591 0 CA-C-N 116.479 -0.328 . . . . 0.0 110.926 -178.18 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 3' ' ' GLN . . . . . 0.485 ' HB2' ' HA ' ' A' ' 15' ' ' CYS . 15.3 mm100 -83.88 144.27 29.34 Favored 'General case' 0 N--CA 1.438 -1.049 0 N-CA-C 106.717 -1.586 . . . . 0.0 106.717 170.507 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 97.0 mttt -91.5 172.18 8.69 Favored 'General case' 0 C--N 1.3 -1.555 0 CA-C-O 120.804 0.335 . . . . 0.0 111.059 -178.229 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 5' ' ' TRP . . . . . . . . . . . . . 46.3 p90 -62.66 -26.4 68.62 Favored 'General case' 0 C--N 1.317 -0.829 0 C-N-CA 124.665 1.186 . . . . 0.0 110.553 178.868 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 6' ' ' MET . . . . . . . . . . . . . 25.5 ttt -77.58 -25.15 49.73 Favored 'General case' 0 C--N 1.312 -1.028 0 CA-C-N 114.871 -1.059 . . . . 0.0 109.909 179.689 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 7' ' ' TRP . . . . . 0.418 ' CE3' ' HA ' ' A' ' 3' ' ' GLN . 28.9 m0 -94.52 -176.87 4.05 Favored 'General case' 0 C--N 1.292 -1.909 0 CA-C-N 115.01 -0.996 . . . . 0.0 109.809 -174.048 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 8' ' ' THR . . . . . 0.584 HG22 ' HA ' ' A' ' 24' ' ' TRP . 47.3 p -127.6 172.3 10.87 Favored 'General case' 0 C--N 1.29 -1.984 0 N-CA-C 106.653 -1.61 . . . . 0.0 106.653 -179.768 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 9' ' ' CYS . . . . . 0.595 ' HB3' ' SG ' ' A' ' 15' ' ' CYS . 18.5 p -119.63 179.23 4.29 Favored 'General case' 0 N--CA 1.448 -0.546 0 C-N-CA 115.989 -2.284 . . . . 0.0 111.645 177.583 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 10' ' ' ASP . . . . . 0.407 ' CG ' ' H ' ' A' ' 11' ' ' SER . 31.7 t70 -143.01 -166.06 2.21 Favored 'General case' 0 C--N 1.3 -1.587 0 N-CA-C 105.733 -1.951 . . . . 0.0 105.733 -176.266 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 11' ' ' SER . . . . . 0.407 ' H ' ' CG ' ' A' ' 10' ' ' ASP . 14.3 p -78.69 -37.81 40.77 Favored 'General case' 0 C--N 1.293 -1.881 0 N-CA-C 108.184 -1.043 . . . . 0.0 108.184 176.097 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 27.8 mm-40 -86.63 -50.06 7.07 Favored 'General case' 0 N--CA 1.439 -1.013 0 CA-C-N 115.726 -0.67 . . . . 0.0 111.147 178.456 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 13' ' ' ARG . . . . . 0.505 ' O ' ' HB2' ' A' ' 9' ' ' CYS . 5.9 mmp_? -77.24 111.01 12.43 Favored 'General case' 0 C--O 1.21 -0.999 0 N-CA-C 108.31 -0.996 . . . . 0.0 108.31 176.689 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 62.4 pttt -106.65 149.34 27.32 Favored 'General case' 0 C--N 1.277 -2.563 0 C-N-CA 120.578 -0.449 . . . . 0.0 112.121 -179.553 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 15' ' ' CYS . . . . . 0.719 ' SG ' ' HA ' ' A' ' 21' ' ' CYS . 61.4 m -70.67 160.44 32.6 Favored 'General case' 0 C--N 1.321 -0.671 0 CA-C-N 116.017 -0.538 . . . . 0.0 109.801 178.022 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 16' ' ' CYS . . . . . 0.401 ' HB2' ' HB3' ' A' ' 2' ' ' CYS . 3.1 t -74.34 174.78 8.37 Favored 'General case' 0 C--N 1.314 -0.938 0 CA-C-O 121.105 0.478 . . . . 0.0 111.001 -175.483 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 66.7 tttm -68.1 126.26 28.96 Favored 'General case' 0 N--CA 1.44 -0.929 0 CA-C-N 115.791 -0.64 . . . . 0.0 109.486 179.059 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 96.0 10.3 56.37 Favored Glycine 0 C--N 1.309 -0.931 0 N-CA-C 110.459 -1.056 . . . . 0.0 110.459 -177.585 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 19' ' ' MET . . . . . . . . . . . . . 67.1 mtt -122.13 159.2 27.68 Favored 'General case' 0 N--CA 1.433 -1.299 0 CA-C-N 115.008 -0.596 . . . . 0.0 109.477 177.292 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 72.5 t -105.86 123.69 60.54 Favored 'Isoleucine or valine' 0 C--N 1.292 -1.908 0 N-CA-C 107.352 -1.351 . . . . 0.0 107.352 177.615 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 21' ' ' CYS . . . . . 0.719 ' HA ' ' SG ' ' A' ' 15' ' ' CYS . 34.6 t -76.5 107.46 8.79 Favored 'General case' 0 CA--C 1.501 -0.918 0 N-CA-C 107.538 -1.282 . . . . 0.0 107.538 178.407 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 22' ' ' ARG . . . . . 0.443 ' HG2' ' H ' ' A' ' 23' ' ' LEU . 56.3 ttt180 -142.73 -170.19 3.16 Favored 'General case' 0 N--CA 1.401 -2.919 0 N-CA-C 108.102 -1.073 . . . . 0.0 108.102 -173.308 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 23' ' ' LEU . . . . . 0.447 HD22 ' H ' ' A' ' 23' ' ' LEU . 2.9 mm? -55.2 -18.11 5.42 Favored 'General case' 0 N--CA 1.472 0.637 0 C-N-CA 124.183 0.993 . . . . 0.0 110.668 177.46 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 24' ' ' TRP . . . . . 0.584 ' HA ' HG22 ' A' ' 8' ' ' THR . 14.7 p90 -147.17 157.75 43.71 Favored 'General case' 0 N--CA 1.416 -2.126 0 N-CA-C 105.752 -1.944 . . . . 0.0 105.752 170.967 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 61.3 m -82.66 114.24 20.9 Favored 'General case' 0 CA--C 1.492 -1.266 0 CA-C-N 118.933 0.788 . . . . 0.0 110.695 178.644 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 86.7 tttt -110.34 118.24 35.79 Favored 'General case' 0 N--CA 1.412 -2.37 0 CA-C-N 115.524 -0.762 . . . . 0.0 110.739 -177.069 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 22.0 pttp -81.41 153.07 27.13 Favored 'General case' 0 C--N 1.308 -1.206 0 N-CA-C 108.695 -0.854 . . . . 0.0 108.695 175.018 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -55.6 150.67 11.9 Favored 'General case' 0 C--N 1.312 -1.023 0 N-CA-C 112.962 0.726 . . . . 0.0 112.962 -176.743 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 91.2 mt -82.41 -5.39 58.62 Favored 'General case' 0 C--N 1.31 -1.13 0 CA-C-N 115.543 -0.753 . . . . 0.0 110.457 179.248 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 30' ' ' TRP . . . . . . . . . . . . . 8.1 t-105 . . . . . 0 N--CA 1.429 -1.517 0 N-CA-C 107.748 -1.204 . . . . 0.0 107.748 -179.839 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 1' ' ' TYR . . . . . . . . . . . . . 94.4 m-85 . . . . . 0 CA--C 1.506 -0.741 0 N-CA-C 110.285 -0.265 . . . . 0.0 110.285 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 2' ' ' CYS . . . . . . . . . . . . . 53.4 t -84.43 162.21 20.04 Favored 'General case' 0 C--N 1.311 -1.099 0 N-CA-C 106.786 -1.561 . . . . 0.0 106.786 175.546 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 3' ' ' GLN . . . . . 0.452 ' HG2' ' O ' ' A' ' 14' ' ' LYS . 10.3 mm100 -83.54 132.4 34.93 Favored 'General case' 0 C--N 1.306 -1.312 0 C-N-CA 119.957 -0.697 . . . . 0.0 109.701 -176.191 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 95.3 mttt -94.42 176.59 6.24 Favored 'General case' 0 C--N 1.306 -1.305 0 CA-C-N 115.515 -0.766 . . . . 0.0 110.828 -179.189 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 5' ' ' TRP . . . . . . . . . . . . . 44.7 p90 -63.24 -23.84 67.6 Favored 'General case' 0 N--CA 1.478 0.955 0 C-N-CA 124.665 1.186 . . . . 0.0 110.772 178.388 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 6' ' ' MET . . . . . . . . . . . . . 39.0 ttm -81.36 -21.65 38.96 Favored 'General case' 0 C--N 1.308 -1.201 0 CA-C-N 114.851 -1.068 . . . . 0.0 110.383 178.387 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 7' ' ' TRP . . . . . . . . . . . . . 17.7 m0 -96.67 -176.55 3.63 Favored 'General case' 0 C--N 1.295 -1.79 0 CA-C-N 114.919 -1.037 . . . . 0.0 110.525 -171.375 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 8' ' ' THR . . . . . 0.511 ' HB ' ' O ' ' A' ' 23' ' ' LEU . 71.3 p -128.22 167.79 16.37 Favored 'General case' 0 C--N 1.302 -1.477 0 N-CA-C 107.711 -1.218 . . . . 0.0 107.711 178.921 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 26.4 p -133.91 -178.5 5.05 Favored 'General case' 0 C--O 1.253 1.283 0 C-N-CA 117.541 -1.663 . . . . 0.0 111.834 177.019 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 17.7 t70 -157.95 -165.35 1.71 Allowed 'General case' 0 C--N 1.309 -1.153 0 N-CA-C 105.444 -2.058 . . . . 0.0 105.444 -175.812 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 19.5 m -80.74 -26.5 37.33 Favored 'General case' 0 C--N 1.306 -1.284 0 N-CA-C 108.421 -0.955 . . . . 0.0 108.421 177.57 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 45.3 mt-10 -83.18 -57.59 3.21 Favored 'General case' 0 N--CA 1.442 -0.835 0 CA-C-N 115.143 -0.935 . . . . 0.0 109.51 177.109 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 13' ' ' ARG . . . . . 0.408 ' HA ' ' NE ' ' A' ' 13' ' ' ARG . 4.6 mmp_? -71.75 112.02 7.51 Favored 'General case' 0 CA--C 1.509 -0.625 0 N-CA-C 109.753 -0.462 . . . . 0.0 109.753 177.544 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 14' ' ' LYS . . . . . 0.59 ' H ' ' HD3' ' A' ' 14' ' ' LYS . 0.0 OUTLIER -88.85 132.3 34.72 Favored 'General case' 0 C--N 1.3 -1.551 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.176 -177.596 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 15' ' ' CYS . . . . . 0.444 ' HA ' ' HB2' ' A' ' 3' ' ' GLN . 8.2 t -92.48 157.64 16.45 Favored 'General case' 0 C--N 1.295 -1.774 0 N-CA-C 108.365 -0.976 . . . . 0.0 108.365 -177.7 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 75.3 m -72.47 149.59 44.04 Favored 'General case' 0 C--N 1.306 -1.307 0 CA-C-O 121.324 0.583 . . . . 0.0 112.124 -176.235 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 99.0 mttt -71.18 131.5 43.63 Favored 'General case' 0 N--CA 1.434 -1.254 0 N-CA-C 107.634 -1.247 . . . . 0.0 107.634 175.073 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 107.05 2.3 36.15 Favored Glycine 0 C--N 1.287 -2.152 0 N-CA-C 108.655 -1.778 . . . . 0.0 108.655 -171.721 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 19' ' ' MET . . . . . 0.434 ' HG2' ' HA ' ' A' ' 27' ' ' LYS . 65.4 mtt -131.29 159.24 38.43 Favored 'General case' 0 CA--C 1.498 -1.04 0 N-CA-C 107.426 -1.324 . . . . 0.0 107.426 175.76 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 65.4 t -106.16 125.4 61.8 Favored 'Isoleucine or valine' 0 C--N 1.287 -2.15 0 N-CA-C 107.237 -1.394 . . . . 0.0 107.237 177.28 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 27.5 t -80.25 136.32 36.43 Favored 'General case' 0 N--CA 1.429 -1.493 0 N-CA-C 108.612 -0.884 . . . . 0.0 108.612 -178.343 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 22' ' ' ARG . . . . . 0.438 ' HG2' ' H ' ' A' ' 23' ' ' LEU . 57.6 ttt180 -167.52 -167.32 0.87 Allowed 'General case' 0 C--O 1.279 2.613 0 N-CA-C 106.526 -1.657 . . . . 0.0 106.526 -175.289 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 23' ' ' LEU . . . . . 0.511 ' O ' ' HB ' ' A' ' 8' ' ' THR . 6.5 mp -54.64 -23.46 17.25 Favored 'General case' 0 N--CA 1.474 0.763 0 C-N-CA 122.695 0.398 . . . . 0.0 110.156 176.03 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 24' ' ' TRP . . . . . 0.49 ' HA ' ' HA ' ' A' ' 8' ' ' THR . 9.3 p90 -138.09 162.16 34.91 Favored 'General case' 0 N--CA 1.423 -1.811 0 N-CA-C 106.457 -1.682 . . . . 0.0 106.457 174.063 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 14.7 m -92.5 131.95 37.22 Favored 'General case' 0 C--N 1.307 -1.241 0 CA-C-N 118.68 0.673 . . . . 0.0 110.427 176.29 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 86.5 tttt -130.07 122.13 27.73 Favored 'General case' 0 N--CA 1.42 -1.932 0 CA-C-N 116.24 -0.436 . . . . 0.0 109.965 -179.445 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 27' ' ' LYS . . . . . 0.434 ' HA ' ' HG2' ' A' ' 19' ' ' MET . 13.7 ptmm? -72.23 142.62 48.97 Favored 'General case' 0 C--N 1.308 -1.226 0 CA-C-O 121.394 0.616 . . . . 0.0 111.427 -176.724 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 24.8 tptp -86.85 117.72 25.77 Favored 'General case' 0 C--N 1.297 -1.691 0 N-CA-C 106.174 -1.787 . . . . 0.0 106.174 -178.834 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 67.7 mt -69.16 -48.17 62.99 Favored 'General case' 0 C--N 1.3 -1.55 0 CA-C-O 121.685 0.755 . . . . 0.0 109.1 -177.788 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 30' ' ' TRP . . . . . . . . . . . . . 86.7 t90 . . . . . 0 N--CA 1.424 -1.74 0 N-CA-C 106.108 -1.812 . . . . 0.0 106.108 177.985 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 1' ' ' TYR . . . . . . . . . . . . . 61.3 m-85 . . . . . 0 N--CA 1.452 -0.366 0 N-CA-C 109.145 -0.687 . . . . 0.0 109.145 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 2' ' ' CYS . . . . . . . . . . . . . 54.8 m -152.5 147.65 26.47 Favored 'General case' 0 CA--C 1.497 -1.085 0 CA-C-N 116.602 -0.272 . . . . 0.0 111.234 -177.461 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 3' ' ' GLN . . . . . 0.487 ' HB2' ' HA ' ' A' ' 15' ' ' CYS . 15.5 mm100 -83.55 109.8 17.7 Favored 'General case' 0 N--CA 1.433 -1.312 0 N-CA-C 106.493 -1.669 . . . . 0.0 106.493 172.511 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 93.2 mttt -80.82 165.54 21.78 Favored 'General case' 0 C--N 1.308 -1.203 0 CA-C-N 115.393 -0.821 . . . . 0.0 111.053 -175.216 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 5' ' ' TRP . . . . . . . . . . . . . 42.9 p90 -55.88 -26.86 49.17 Favored 'General case' 0 N--CA 1.479 1.011 0 C-N-CA 125.713 1.605 . . . . 0.0 110.853 176.636 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 6' ' ' MET . . . . . . . . . . . . . 25.5 ttt -66.17 -27.05 67.72 Favored 'General case' 0 C--N 1.316 -0.882 0 CA-C-N 114.525 -1.216 . . . . 0.0 110.925 179.003 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 7' ' ' TRP . . . . . . . . . . . . . 19.9 m0 -108.05 -168.95 1.43 Allowed 'General case' 0 C--N 1.304 -1.372 0 CA-C-N 115.852 -0.613 . . . . 0.0 110.057 -175.862 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 8' ' ' THR . . . . . 0.567 ' HA ' ' HA ' ' A' ' 24' ' ' TRP . 45.4 p -125.68 163.06 23.63 Favored 'General case' 0 C--N 1.304 -1.403 0 N-CA-C 108.953 -0.758 . . . . 0.0 108.953 -177.598 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 9' ' ' CYS . . . . . 0.686 ' HB2' ' O ' ' A' ' 13' ' ' ARG . 19.8 p -128.36 177.99 6.58 Favored 'General case' 0 C--O 1.248 1.017 0 C-N-CA 117.328 -1.749 . . . . 0.0 110.392 177.729 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 7.5 t70 -147.48 -161.42 1.33 Allowed 'General case' 0 C--N 1.31 -1.148 0 N-CA-C 105.134 -2.172 . . . . 0.0 105.134 178.526 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 76.2 p -79.71 -19.8 48.01 Favored 'General case' 0 C--N 1.315 -0.924 0 CA-C-N 120.295 1.407 . . . . 0.0 109.708 178.209 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 45.4 mt-10 -82.16 -64.66 1.13 Allowed 'General case' 0 N--CA 1.443 -0.798 0 CA-C-N 115.019 -0.991 . . . . 0.0 110.289 178.879 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 13' ' ' ARG . . . . . 0.686 ' O ' ' HB2' ' A' ' 9' ' ' CYS . 80.4 mtm180 -84.65 116.2 23.07 Favored 'General case' 0 C--O 1.206 -1.21 0 N-CA-C 108.405 -0.961 . . . . 0.0 108.405 175.335 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 49.5 mtmt -105.11 150.19 25.23 Favored 'General case' 0 C--N 1.309 -1.163 0 N-CA-C 109.257 -0.645 . . . . 0.0 109.257 -179.766 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 15' ' ' CYS . . . . . 0.487 ' HA ' ' HB2' ' A' ' 3' ' ' GLN . 13.7 m -79.64 147.67 31.93 Favored 'General case' 0 C--N 1.311 -1.099 0 N-CA-C 107.957 -1.127 . . . . 0.0 107.957 176.156 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 67.6 m -72.7 162.33 29.61 Favored 'General case' 0 C--N 1.313 -0.993 0 C-N-CA 120.202 -0.599 . . . . 0.0 111.64 177.749 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 60.9 tttm -53.42 133.86 40.4 Favored 'General case' 0 N--CA 1.453 -0.323 0 C-N-CA 124.282 1.033 . . . . 0.0 111.16 -178.233 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 111.14 -18.33 26.01 Favored Glycine 0 C--N 1.307 -1.083 0 N-CA-C 108.715 -1.754 . . . . 0.0 108.715 -175.924 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 19' ' ' MET . . . . . . . . . . . . . 51.3 mtm -124.63 147.92 48.23 Favored 'General case' 0 N--CA 1.427 -1.604 0 N-CA-C 107.705 -1.22 . . . . 0.0 107.705 175.985 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 8.9 p -106.47 133.03 52.17 Favored 'Isoleucine or valine' 0 C--N 1.291 -1.95 0 N-CA-C 108.128 -1.064 . . . . 0.0 108.128 -179.37 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 21' ' ' CYS . . . . . 0.416 ' HA ' ' SG ' ' A' ' 15' ' ' CYS . 11.4 t -71.53 120.44 17.12 Favored 'General case' 0 N--CA 1.431 -1.411 0 CA-C-N 115.677 -0.692 . . . . 0.0 109.271 -177.707 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 22' ' ' ARG . . . . . 0.498 ' HG3' ' H ' ' A' ' 23' ' ' LEU . 22.2 tpt180 -149.77 -174.52 4.72 Favored 'General case' 0 C--O 1.286 3.017 0 N-CA-C 107.052 -1.462 . . . . 0.0 107.052 -175.913 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 23' ' ' LEU . . . . . 0.498 ' H ' ' HG3' ' A' ' 22' ' ' ARG . 74.3 mt -49.34 -28.2 4.72 Favored 'General case' 0 N--CA 1.47 0.554 0 C-N-CA 123.867 0.867 . . . . 0.0 110.407 175.909 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 24' ' ' TRP . . . . . 0.567 ' HA ' ' HA ' ' A' ' 8' ' ' THR . 12.6 p90 -138.07 158.63 43.94 Favored 'General case' 0 N--CA 1.422 -1.848 0 N-CA-C 105.41 -2.07 . . . . 0.0 105.41 171.158 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 67.0 m -74.89 114.26 13.14 Favored 'General case' 0 C--N 1.31 -1.127 0 C-N-CA 119.35 -0.94 . . . . 0.0 109.635 176.683 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 60.1 tttp -110.7 146.54 36.08 Favored 'General case' 0 C--N 1.298 -1.659 0 N-CA-C 108.999 -0.741 . . . . 0.0 108.999 -177.54 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 90.8 mttt -66.03 140.22 58.26 Favored 'General case' 0 C--N 1.304 -1.38 0 N-CA-C 109.339 -0.615 . . . . 0.0 109.339 177.145 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 65.0 tttm -86.79 89.63 8.02 Favored 'General case' 0 C--N 1.298 -1.633 0 N-CA-C 108.278 -1.008 . . . . 0.0 108.278 179.754 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 64.0 mt -77.81 -46.49 21.39 Favored 'General case' 0 C--N 1.303 -1.42 0 N-CA-C 108.072 -1.084 . . . . 0.0 108.072 -179.845 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 30' ' ' TRP . . . . . . . . . . . . . 14.5 m-90 . . . . . 0 N--CA 1.426 -1.642 0 N-CA-C 107.459 -1.312 . . . . 0.0 107.459 178.518 . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' 1' ' ' TYR . . . . . 0.485 ' OH ' ' HA ' ' A' ' 13' ' ' ARG . 22.4 p90 . . . . . 0 CA--C 1.505 -0.774 0 N-CA-C 110.022 -0.362 . . . . 0.0 110.022 . . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 2' ' ' CYS . . . . . . . . . . . . . 11.7 t -109.92 149.63 29.63 Favored 'General case' 0 N--CA 1.423 -1.81 0 N-CA-C 109.15 -0.685 . . . . 0.0 109.15 -179.203 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 15.3 mm100 -114.71 137.49 51.85 Favored 'General case' 0 C--N 1.298 -1.665 0 CA-C-N 115.865 -0.607 . . . . 0.0 109.805 -178.607 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 97.0 mttt -94.94 166.11 12.12 Favored 'General case' 0 C--N 1.307 -1.265 0 N-CA-C 108.648 -0.871 . . . . 0.0 108.648 176.725 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 5' ' ' TRP . . . . . . . . . . . . . 19.4 p-90 -68.33 -19.7 64.68 Favored 'General case' 0 N--CA 1.487 1.395 0 CA-C-O 122.263 1.03 . . . . 0.0 110.155 -177.142 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 6' ' ' MET . . . . . 0.476 ' HG3' ' CD1' ' A' ' 7' ' ' TRP . 23.3 ptp -79.09 -7.98 58.59 Favored 'General case' 0 C--N 1.309 -1.166 0 CA-C-N 114.623 -1.171 . . . . 0.0 110.282 -179.834 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 7' ' ' TRP . . . . . 0.476 ' CD1' ' HG3' ' A' ' 6' ' ' MET . 43.1 m0 -112.93 -175.27 2.63 Favored 'General case' 0 N--CA 1.443 -0.788 0 N-CA-C 109.051 -0.722 . . . . 0.0 109.051 -179.887 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 8' ' ' THR . . . . . 0.596 ' HA ' ' HA ' ' A' ' 24' ' ' TRP . 31.4 p -125.32 167.61 14.67 Favored 'General case' 0 C--N 1.299 -1.627 0 CA-C-O 119.044 -0.503 . . . . 0.0 110.432 -176.099 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 9' ' ' CYS . . . . . 0.512 ' HB2' ' O ' ' A' ' 13' ' ' ARG . 28.7 p -133.77 177.26 7.85 Favored 'General case' 0 C--O 1.245 0.862 0 C-N-CA 118.046 -1.461 . . . . 0.0 110.23 174.329 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 14.0 m-20 -148.58 -170.47 3.62 Favored 'General case' 0 CA--C 1.497 -1.069 0 N-CA-C 108.243 -1.021 . . . . 0.0 108.243 -173.686 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 8.6 m -72.79 -26.08 61.39 Favored 'General case' 0 C--N 1.312 -1.03 0 N-CA-C 108.184 -1.043 . . . . 0.0 108.184 174.756 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 20.4 mm-40 -86.65 -51.22 6.26 Favored 'General case' 0 N--CA 1.447 -0.602 0 CA-C-N 114.927 -1.033 . . . . 0.0 110.192 178.708 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 13' ' ' ARG . . . . . 0.512 ' O ' ' HB2' ' A' ' 9' ' ' CYS . 68.7 mtm180 -87.83 111.93 21.93 Favored 'General case' 0 C--N 1.311 -1.071 0 CA-C-N 115.945 -0.57 . . . . 0.0 110.348 -178.642 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 21.6 ptmt -79.43 144.24 34.27 Favored 'General case' 0 C--N 1.303 -1.446 0 N-CA-C 109.654 -0.498 . . . . 0.0 109.654 178.509 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 15' ' ' CYS . . . . . 0.507 ' HB2' ' SG ' ' A' ' 9' ' ' CYS . 14.0 t -95.01 165.66 12.33 Favored 'General case' 0 C--N 1.292 -1.913 0 N-CA-C 107.415 -1.328 . . . . 0.0 107.415 175.754 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 81.0 m -90.52 149.77 22.04 Favored 'General case' 0 C--N 1.296 -1.741 0 CA-C-O 121.009 0.433 . . . . 0.0 112.032 -178.171 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -59.89 139.07 57.62 Favored 'General case' 0 C--O 1.242 0.661 0 CA-C-N 115.771 -0.649 . . . . 0.0 110.583 177.941 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 111.97 -15.86 25.78 Favored Glycine 0 C--N 1.303 -1.257 0 N-CA-C 108.369 -1.893 . . . . 0.0 108.369 -172.89 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 19' ' ' MET . . . . . 0.441 ' HG2' ' HA ' ' A' ' 27' ' ' LYS . 65.4 mtt -124.74 162.65 23.78 Favored 'General case' 0 N--CA 1.421 -1.884 0 CA-C-N 113.892 -1.154 . . . . 0.0 108.942 177.538 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 58.7 t -106.61 119.54 56.27 Favored 'Isoleucine or valine' 0 C--N 1.275 -2.646 0 N-CA-C 106.834 -1.543 . . . . 0.0 106.834 176.839 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 38.4 t -77.36 106.66 9.24 Favored 'General case' 0 C--N 1.301 -1.524 0 CA-C-N 115.417 -0.811 . . . . 0.0 110.448 -176.067 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 3.4 mmp_? -136.75 -152.17 0.44 Allowed 'General case' 0 C--O 1.281 2.756 0 N-CA-C 108.48 -0.933 . . . . 0.0 108.48 178.014 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 97.2 mt -58.87 -27.86 65.57 Favored 'General case' 0 CA--C 1.503 -0.844 0 CA-C-N 114.087 -1.415 . . . . 0.0 108.943 178.149 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 24' ' ' TRP . . . . . 0.596 ' HA ' ' HA ' ' A' ' 8' ' ' THR . 28.9 p90 -137.93 167.31 22.02 Favored 'General case' 0 N--CA 1.415 -2.204 0 N-CA-C 107.109 -1.441 . . . . 0.0 107.109 169.748 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 54.7 m -85.57 113.06 21.52 Favored 'General case' 0 C--N 1.3 -1.563 0 C-N-CA 120.055 -0.658 . . . . 0.0 110.014 176.344 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 40.1 ttmt -100.49 118.05 35.91 Favored 'General case' 0 N--CA 1.424 -1.758 0 N-CA-C 108.115 -1.069 . . . . 0.0 108.115 -179.342 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 27' ' ' LYS . . . . . 0.441 ' HA ' ' HG2' ' A' ' 19' ' ' MET . 59.9 pttt -80.77 133.24 35.61 Favored 'General case' 0 C--N 1.293 -1.87 0 C-N-CA 120.298 -0.561 . . . . 0.0 110.112 -179.378 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 57.4 tttp -90.16 86.04 6.43 Favored 'General case' 0 C--N 1.284 -2.255 0 CA-C-O 121.998 0.904 . . . . 0.0 108.599 178.67 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 38.5 tp -96.74 0.17 49.12 Favored 'General case' 0 C--N 1.301 -1.541 0 CA-C-N 114.164 -1.38 . . . . 0.0 107.698 179.362 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 30' ' ' TRP . . . . . . . . . . . . . 15.8 t-105 . . . . . 0 N--CA 1.432 -1.331 0 CA-C-N 114.111 -1.404 . . . . 0.0 107.307 178.983 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' 1' ' ' TYR . . . . . . . . . . . . . 33.7 t80 . . . . . 0 C--O 1.245 0.824 0 N-CA-C 107.845 -1.169 . . . . 0.0 107.845 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' 2' ' ' CYS . . . . . . . . . . . . . 19.9 t -126.12 153.39 44.6 Favored 'General case' 0 C--N 1.301 -1.535 0 N-CA-C 109.306 -0.627 . . . . 0.0 109.306 -176.853 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 3' ' ' GLN . . . . . 0.455 ' HB2' ' HA ' ' A' ' 15' ' ' CYS . 13.1 mm100 -83.68 151.74 25.12 Favored 'General case' 0 C--N 1.309 -1.174 0 CA-C-O 121.015 0.436 . . . . 0.0 110.848 -175.508 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 7.7 mtpm? -92.07 159.15 15.83 Favored 'General case' 0 C--N 1.307 -1.255 0 N-CA-C 108.384 -0.969 . . . . 0.0 108.384 179.18 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 5' ' ' TRP . . . . . . . . . . . . . 18.0 p90 -67.34 -22.38 65.6 Favored 'General case' 0 N--CA 1.483 1.213 0 CA-C-O 121.075 0.464 . . . . 0.0 111.567 -174.906 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 6' ' ' MET . . . . . . . . . . . . . 27.5 ttt -82.25 -16.4 49.67 Favored 'General case' 0 C--N 1.312 -1.036 0 CA-C-O 121.715 0.769 . . . . 0.0 110.21 179.435 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 7' ' ' TRP . . . . . . . . . . . . . 46.6 m0 -86.64 -170.47 3.09 Favored 'General case' 0 C--N 1.299 -1.593 0 CA-C-N 115.594 -0.73 . . . . 0.0 110.175 179.392 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 8' ' ' THR . . . . . 0.627 ' HB ' ' O ' ' A' ' 23' ' ' LEU . 61.6 p -126.46 167.32 15.74 Favored 'General case' 0 C--N 1.297 -1.711 0 N-CA-C 107.811 -1.181 . . . . 0.0 107.811 178.71 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 9' ' ' CYS . . . . . 0.518 ' SG ' ' HB2' ' A' ' 15' ' ' CYS . 26.6 p -137.81 -178.13 5.11 Favored 'General case' 0 N--CA 1.434 -1.261 0 C-N-CA 118.515 -1.274 . . . . 0.0 111.028 176.327 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 19.6 m-20 -141.18 -165.65 2.01 Favored 'General case' 0 C--N 1.307 -1.275 0 N-CA-C 107.13 -1.433 . . . . 0.0 107.13 -178.031 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 15.1 m -75.98 -29.92 58.4 Favored 'General case' 0 N--CA 1.431 -1.403 0 N-CA-C 107.179 -1.415 . . . . 0.0 107.179 168.967 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 36.9 mt-10 -77.5 -71.61 0.4 Allowed 'General case' 0 C--O 1.241 0.613 0 CA-C-N 114.742 -1.117 . . . . 0.0 109.021 178.594 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 13' ' ' ARG . . . . . 0.514 ' O ' ' HB2' ' A' ' 9' ' ' CYS . 67.8 mtm180 -66.69 118.75 10.69 Favored 'General case' 0 CA--C 1.503 -0.83 0 N-CA-C 108.24 -1.022 . . . . 0.0 108.24 177.488 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 7.4 ptpp? -104.86 129.35 53.21 Favored 'General case' 0 C--N 1.295 -1.799 0 CA-C-O 121.312 0.577 . . . . 0.0 111.505 -176.207 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 15' ' ' CYS . . . . . 0.518 ' HB2' ' SG ' ' A' ' 9' ' ' CYS . 5.2 t -86.29 160.7 19.06 Favored 'General case' 0 C--N 1.304 -1.403 0 CA-C-N 115.399 -0.819 . . . . 0.0 108.937 -177.497 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 16' ' ' CYS . . . . . 0.417 ' O ' ' HB2' ' A' ' 19' ' ' MET . 72.2 m -68.36 149.85 48.89 Favored 'General case' 0 C--N 1.307 -1.247 0 N-CA-C 113.387 0.884 . . . . 0.0 113.387 -174.151 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 55.1 mttp -72.55 135.46 45.61 Favored 'General case' 0 N--CA 1.429 -1.504 0 N-CA-C 107.401 -1.333 . . . . 0.0 107.401 173.624 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 103.05 2.05 48.58 Favored Glycine 0 C--N 1.287 -2.151 0 N-CA-C 107.93 -2.068 . . . . 0.0 107.93 -168.408 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 19' ' ' MET . . . . . 0.417 ' HB2' ' O ' ' A' ' 16' ' ' CYS . 62.7 mtt -136.07 163.51 30.15 Favored 'General case' 0 N--CA 1.432 -1.375 0 N-CA-C 106.932 -1.507 . . . . 0.0 106.932 175.281 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 59.4 t -105.92 123.83 60.73 Favored 'Isoleucine or valine' 0 C--N 1.284 -2.274 0 N-CA-C 107.099 -1.445 . . . . 0.0 107.099 178.422 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 19.0 t -91.4 115.28 27.9 Favored 'General case' 0 N--CA 1.425 -1.679 0 CA-C-N 115.821 -0.627 . . . . 0.0 109.323 -177.356 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 22' ' ' ARG . . . . . 0.562 ' HA ' ' NE ' ' A' ' 22' ' ' ARG . 1.8 mmp_? -143.52 -159.36 0.97 Allowed 'General case' 0 C--O 1.263 1.768 0 N-CA-C 108.035 -1.098 . . . . 0.0 108.035 177.956 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 23' ' ' LEU . . . . . 0.627 ' O ' ' HB ' ' A' ' 8' ' ' THR . 50.8 mt -54.33 -29.4 47.83 Favored 'General case' 0 C--O 1.219 -0.527 0 CA-C-N 115.242 -0.89 . . . . 0.0 109.83 175.275 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 24' ' ' TRP . . . . . 0.522 ' HA ' ' HA ' ' A' ' 8' ' ' THR . 24.5 p90 -133.02 160.9 35.82 Favored 'General case' 0 N--CA 1.423 -1.791 0 N-CA-C 107.115 -1.439 . . . . 0.0 107.115 174.122 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 66.6 m -86.51 141.75 28.84 Favored 'General case' 0 C--N 1.311 -1.078 0 C-N-CA 120.573 -0.451 . . . . 0.0 110.028 175.978 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 39.3 ttpt -135.41 144.0 46.28 Favored 'General case' 0 C--N 1.298 -1.644 0 N-CA-C 107.848 -1.167 . . . . 0.0 107.848 -178.174 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 23.8 pttm -69.92 163.4 26.07 Favored 'General case' 0 C--O 1.245 0.859 0 CA-C-O 121.261 0.553 . . . . 0.0 111.339 -179.596 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 26.4 tptp -157.31 152.79 26.45 Favored 'General case' 0 N--CA 1.425 -1.683 0 N-CA-C 105.415 -2.068 . . . . 0.0 105.415 176.05 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 3.2 mm? -105.02 -71.02 0.75 Allowed 'General case' 0 C--N 1.292 -1.92 0 N-CA-C 107.354 -1.35 . . . . 0.0 107.354 175.4 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 30' ' ' TRP . . . . . . . . . . . . . 87.5 m95 . . . . . 0 C--N 1.296 -1.747 0 N-CA-C 105.532 -2.025 . . . . 0.0 105.532 174.172 . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' 1' ' ' TYR . . . . . . . . . . . . . 75.7 m-85 . . . . . 0 CA--C 1.518 -0.261 0 N-CA-C 109.043 -0.725 . . . . 0.0 109.043 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' 2' ' ' CYS . . . . . . . . . . . . . 54.0 t -133.96 158.02 44.57 Favored 'General case' 0 N--CA 1.434 -1.256 0 N-CA-C 108.933 -0.766 . . . . 0.0 108.933 -177.164 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 3' ' ' GLN . . . . . 0.54 ' HB2' ' HA ' ' A' ' 15' ' ' CYS . 15.2 mm100 -96.2 129.05 43.6 Favored 'General case' 0 C--N 1.304 -1.382 0 CA-C-O 121.24 0.543 . . . . 0.0 112.231 -177.225 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 66.0 mttm -87.44 171.67 10.38 Favored 'General case' 0 C--N 1.312 -1.049 0 CA-C-N 115.407 -0.815 . . . . 0.0 110.335 -178.71 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 5' ' ' TRP . . . . . . . . . . . . . 39.0 p90 -58.28 -29.39 65.78 Favored 'General case' 0 N--CA 1.477 0.889 0 C-N-CA 124.938 1.295 . . . . 0.0 111.019 -179.019 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 6' ' ' MET . . . . . 0.419 ' HG3' ' CD1' ' A' ' 7' ' ' TRP . 24.8 ptm -84.69 -8.0 59.02 Favored 'General case' 0 C--N 1.31 -1.124 0 CA-C-N 115.104 -0.953 . . . . 0.0 111.78 -177.157 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 7' ' ' TRP . . . . . 0.419 ' CD1' ' HG3' ' A' ' 6' ' ' MET . 47.7 m0 -110.08 -174.94 2.61 Favored 'General case' 0 C--N 1.31 -1.144 0 N-CA-C 109.606 -0.516 . . . . 0.0 109.606 -178.417 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 8' ' ' THR . . . . . 0.558 ' HA ' ' HA ' ' A' ' 24' ' ' TRP . 82.4 p -120.92 169.39 10.5 Favored 'General case' 0 C--N 1.295 -1.802 0 N-CA-C 108.319 -0.993 . . . . 0.0 108.319 -178.922 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 9' ' ' CYS . . . . . 0.665 ' HB2' ' O ' ' A' ' 13' ' ' ARG . 16.1 p -134.62 169.87 16.66 Favored 'General case' 0 N--CA 1.439 -1.001 0 C-N-CA 118.049 -1.46 . . . . 0.0 111.498 178.001 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 42.7 m-20 -141.97 -166.36 2.21 Favored 'General case' 0 C--N 1.313 -0.981 0 N-CA-C 105.835 -1.913 . . . . 0.0 105.835 -179.892 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 43.5 m -70.52 -23.01 62.56 Favored 'General case' 0 C--N 1.312 -1.044 0 CA-C-O 121.574 0.702 . . . . 0.0 109.555 174.518 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 26.7 mt-10 -84.95 -70.22 0.6 Allowed 'General case' 0 C--N 1.319 -0.735 0 CA-C-N 115.183 -0.917 . . . . 0.0 109.762 179.469 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 13' ' ' ARG . . . . . 0.665 ' O ' ' HB2' ' A' ' 9' ' ' CYS . 64.8 mtm180 -75.74 114.19 14.06 Favored 'General case' 0 C--O 1.202 -1.44 0 N-CA-C 108.132 -1.062 . . . . 0.0 108.132 178.62 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 21.5 ptmt -106.71 141.79 37.41 Favored 'General case' 0 C--N 1.305 -1.344 0 CA-C-N 118.905 0.775 . . . . 0.0 112.222 178.001 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 15' ' ' CYS . . . . . 0.568 ' SG ' ' HA ' ' A' ' 21' ' ' CYS . 59.2 m -65.94 150.65 48.29 Favored 'General case' 0 C--O 1.243 0.751 0 C-N-CA 122.817 0.447 . . . . 0.0 110.67 179.111 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 93.9 m -64.62 167.33 7.38 Favored 'General case' 0 C--N 1.309 -1.167 0 N-CA-C 112.732 0.642 . . . . 0.0 112.732 -179.797 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 12.6 mptt -70.26 131.24 43.89 Favored 'General case' 0 N--CA 1.435 -1.181 0 CA-C-O 121.359 0.6 . . . . 0.0 110.851 -177.448 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 100.14 6.29 53.84 Favored Glycine 0 N--CA 1.431 -1.659 0 N-CA-C 109.664 -1.374 . . . . 0.0 109.664 -175.948 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 19' ' ' MET . . . . . . . . . . . . . 63.9 mtt -123.64 159.45 29.29 Favored 'General case' 0 N--CA 1.429 -1.512 0 N-CA-C 109.576 -0.528 . . . . 0.0 109.576 179.027 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 59.6 t -105.81 126.76 61.17 Favored 'Isoleucine or valine' 0 C--N 1.289 -2.024 0 N-CA-C 107.053 -1.462 . . . . 0.0 107.053 179.863 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 21' ' ' CYS . . . . . 0.568 ' HA ' ' SG ' ' A' ' 15' ' ' CYS . 11.2 t -90.99 125.46 35.8 Favored 'General case' 0 C--N 1.305 -1.33 0 N-CA-C 109.269 -0.641 . . . . 0.0 109.269 -176.084 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 22' ' ' ARG . . . . . 0.677 ' HG2' ' H ' ' A' ' 23' ' ' LEU . 44.7 ttt180 -161.76 -163.47 0.97 Allowed 'General case' 0 N--CA 1.425 -1.69 0 N-CA-C 106.237 -1.764 . . . . 0.0 106.237 179.137 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 23' ' ' LEU . . . . . 0.677 ' H ' ' HG2' ' A' ' 22' ' ' ARG . 2.9 mm? -50.77 -21.89 1.86 Allowed 'General case' 0 N--CA 1.475 0.8 0 C-N-CA 123.878 0.871 . . . . 0.0 111.772 177.555 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 24' ' ' TRP . . . . . 0.558 ' HA ' ' HA ' ' A' ' 8' ' ' THR . 19.7 p90 -144.52 158.75 43.61 Favored 'General case' 0 N--CA 1.425 -1.683 0 N-CA-C 107.238 -1.393 . . . . 0.0 107.238 172.498 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 85.2 m -86.68 138.12 31.91 Favored 'General case' 0 C--N 1.315 -0.912 0 CA-C-O 121.226 0.536 . . . . 0.0 110.487 178.421 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 39.5 ttmt -132.84 141.14 48.28 Favored 'General case' 0 C--N 1.294 -1.842 0 N-CA-C 108.109 -1.071 . . . . 0.0 108.109 -178.157 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 97.6 mttt -81.78 153.45 26.47 Favored 'General case' 0 C--N 1.309 -1.178 0 N-CA-C 108.87 -0.789 . . . . 0.0 108.87 176.394 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 22.1 pttp -78.14 137.07 37.99 Favored 'General case' 0 N--CA 1.43 -1.462 0 N-CA-C 108.321 -0.992 . . . . 0.0 108.321 173.902 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 8.0 tt -67.33 -41.62 84.95 Favored 'General case' 0 C--N 1.31 -1.13 0 N-CA-C 110.093 -0.336 . . . . 0.0 110.093 -178.592 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 30' ' ' TRP . . . . . . . . . . . . . 65.4 t-105 . . . . . 0 C--N 1.299 -1.592 0 N-CA-C 109.162 -0.681 . . . . 0.0 109.162 -178.514 . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A ' 1' ' ' TYR . . . . . . . . . . . . . 51.9 t80 . . . . . 0 N--CA 1.465 0.291 0 N-CA-C 109.357 -0.609 . . . . 0.0 109.357 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A ' 2' ' ' CYS . . . . . . . . . . . . . 17.8 t -88.28 150.28 23.34 Favored 'General case' 0 N--CA 1.438 -1.04 0 N-CA-C 106.367 -1.716 . . . . 0.0 106.367 176.288 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 3' ' ' GLN . . . . . 0.439 ' HB2' ' HA ' ' A' ' 15' ' ' CYS . 11.0 mm100 -93.28 139.99 30.03 Favored 'General case' 0 C--N 1.288 -2.076 0 C-N-CA 119.945 -0.702 . . . . 0.0 111.949 -174.546 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 94.1 mttt -94.22 169.38 10.29 Favored 'General case' 0 C--N 1.314 -0.956 0 CA-C-N 115.153 -0.931 . . . . 0.0 109.137 178.907 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 5' ' ' TRP . . . . . . . . . . . . . 46.7 p90 -61.56 -26.67 68.1 Favored 'General case' 0 N--CA 1.477 0.877 0 C-N-CA 123.961 0.905 . . . . 0.0 112.619 -175.992 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 6' ' ' MET . . . . . . . . . . . . . 27.6 ttt -85.59 -11.63 53.51 Favored 'General case' 0 C--N 1.31 -1.148 0 CA-C-O 121.968 0.889 . . . . 0.0 110.249 -178.859 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 7' ' ' TRP . . . . . . . . . . . . . 35.8 m0 -98.71 -176.78 3.45 Favored 'General case' 0 C--N 1.293 -1.884 0 CA-C-N 114.999 -1.001 . . . . 0.0 109.516 -177.767 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 8' ' ' THR . . . . . 0.566 ' HA ' ' HA ' ' A' ' 24' ' ' TRP . 82.4 p -125.97 164.57 20.51 Favored 'General case' 0 C--N 1.304 -1.392 0 N-CA-C 108.295 -1.002 . . . . 0.0 108.295 179.294 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 9' ' ' CYS . . . . . 0.598 ' SG ' ' HB2' ' A' ' 15' ' ' CYS . 30.2 p -136.8 161.99 34.46 Favored 'General case' 0 N--CA 1.444 -0.763 0 C-N-CA 117.767 -1.573 . . . . 0.0 111.012 177.204 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 26.3 m-20 -150.27 -144.18 0.15 Allowed 'General case' 0 C--N 1.32 -0.708 0 N-CA-C 107.71 -1.219 . . . . 0.0 107.71 -179.448 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 15.9 t -75.0 -45.36 42.45 Favored 'General case' 0 CA--C 1.548 0.891 0 CA-C-N 118.184 0.447 . . . . 0.0 111.706 -175.959 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 23.5 mm-40 -82.23 -42.35 19.04 Favored 'General case' 0 C--N 1.322 -0.587 0 CA-C-O 121.401 0.62 . . . . 0.0 111.598 -176.409 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 13' ' ' ARG . . . . . 0.458 ' HA ' ' HE ' ' A' ' 13' ' ' ARG . 2.9 mmp_? -93.99 111.96 23.73 Favored 'General case' 0 C--N 1.297 -1.706 0 N-CA-C 108.537 -0.912 . . . . 0.0 108.537 176.442 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 28.1 mtpp -101.19 140.32 35.65 Favored 'General case' 0 C--N 1.286 -2.184 0 N-CA-C 109.046 -0.724 . . . . 0.0 109.046 -178.7 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 15' ' ' CYS . . . . . 0.598 ' HB2' ' SG ' ' A' ' 9' ' ' CYS . 8.4 t -84.61 162.38 19.78 Favored 'General case' 0 C--N 1.296 -1.748 0 CA-C-N 115.961 -0.563 . . . . 0.0 109.697 -177.031 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 80.2 m -77.98 145.71 35.85 Favored 'General case' 0 C--N 1.297 -1.694 0 CA-C-O 121.258 0.552 . . . . 0.0 111.55 -176.916 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -66.31 140.29 58.1 Favored 'General case' 0 C--N 1.323 -0.543 0 CA-C-N 115.927 -0.578 . . . . 0.0 110.322 177.689 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 112.08 -20.76 21.25 Favored Glycine 0 C--N 1.306 -1.124 0 N-CA-C 108.379 -1.888 . . . . 0.0 108.379 -171.928 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 19' ' ' MET . . . . . . . . . . . . . 63.1 mtt -114.3 173.45 6.44 Favored 'General case' 0 N--CA 1.438 -1.04 0 N-CA-C 107.607 -1.257 . . . . 0.0 107.607 175.953 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 61.1 t -106.41 127.23 61.9 Favored 'Isoleucine or valine' 0 C--N 1.282 -2.333 0 N-CA-C 106.722 -1.584 . . . . 0.0 106.722 175.082 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 25.7 t -83.2 107.58 15.85 Favored 'General case' 0 N--CA 1.425 -1.713 0 N-CA-C 107.353 -1.351 . . . . 0.0 107.353 179.009 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 22' ' ' ARG . . . . . 0.587 ' HG3' ' H ' ' A' ' 23' ' ' LEU . 13.8 tpp180 -139.08 -168.0 2.34 Favored 'General case' 0 C--O 1.273 2.298 0 N-CA-C 107.011 -1.477 . . . . 0.0 107.011 -174.053 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 23' ' ' LEU . . . . . 0.587 ' H ' ' HG3' ' A' ' 22' ' ' ARG . 70.0 mt -48.04 -28.96 3.12 Favored 'General case' 0 N--CA 1.47 0.535 0 C-N-CA 125.043 1.337 . . . . 0.0 110.503 176.234 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 24' ' ' TRP . . . . . 0.566 ' HA ' ' HA ' ' A' ' 8' ' ' THR . 32.0 p90 -141.31 163.9 31.7 Favored 'General case' 0 N--CA 1.415 -2.188 0 N-CA-C 105.432 -2.062 . . . . 0.0 105.432 173.206 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 53.2 m -80.84 128.64 33.89 Favored 'General case' 0 C--N 1.303 -1.419 0 CA-C-N 118.748 0.704 . . . . 0.0 110.693 176.162 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 87.0 tttt -130.86 122.05 26.36 Favored 'General case' 0 C--N 1.289 -2.041 0 CA-C-N 115.505 -0.771 . . . . 0.0 109.087 -174.913 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 27.7 mtpp -64.05 141.88 58.61 Favored 'General case' 0 C--N 1.312 -1.041 0 CA-C-O 121.038 0.447 . . . . 0.0 110.338 179.388 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 23.3 ttpp -104.14 104.94 14.94 Favored 'General case' 0 C--N 1.289 -2.043 0 N-CA-C 108.237 -1.023 . . . . 0.0 108.237 -177.694 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 3.1 mm? -89.29 -23.23 22.35 Favored 'General case' 0 C--N 1.299 -1.61 0 CA-C-O 121.279 0.562 . . . . 0.0 109.681 -179.856 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 30' ' ' TRP . . . . . . . . . . . . . 52.7 t90 . . . . . 0 N--CA 1.43 -1.468 0 N-CA-C 105.73 -1.952 . . . . 0.0 105.73 175.042 . . . . . . . . 0 0 . 1 stop_ save_